Found 119 hits of Enzyme Inhibition Constant Data Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kJ/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
Prostaglandin E synthase
(Homo sapiens (Human)) | BDBM50434670
(CHEMBL2387587)Show SMILES Fc1cccc(Cl)c1-c1nc2c([nH]1)c(=O)[nH]c1cc(ccc21)-c1cccc(Cl)c1 Show InChI InChI=1S/C22H12Cl2FN3O/c23-13-4-1-3-11(9-13)12-7-8-14-17(10-12)26-22(29)20-19(14)27-21(28-20)18-15(24)5-2-6-16(18)25/h1-10H,(H,26,29)(H,27,28) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Dainippon Sumitomo Pharma. Co. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of mPGES1 (unknown origin)-mediated PGE2 synthesis transfected in HEK293 cells coexpressing COX1 using arachidonic acid as substrate prein... |
Bioorg Med Chem 21: 2868-78 (2013)
Article DOI: 10.1016/j.bmc.2013.03.069
BindingDB Entry DOI: 10.7270/Q2JM2C1J |
More data for this
Ligand-Target Pair | |
Prostaglandin E synthase
(Homo sapiens (Human)) | BDBM50434669
(CHEMBL2387588)Show SMILES Fc1cccc(Cl)c1-c1nc2c([nH]1)c(=O)[nH]c1cc(ccc21)-c1ccc(Cl)cc1 Show InChI InChI=1S/C22H12Cl2FN3O/c23-13-7-4-11(5-8-13)12-6-9-14-17(10-12)26-22(29)20-19(14)27-21(28-20)18-15(24)2-1-3-16(18)25/h1-10H,(H,26,29)(H,27,28) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Dainippon Sumitomo Pharma. Co. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of mPGES1 (unknown origin)-mediated PGE2 synthesis transfected in HEK293 cells coexpressing COX1 using arachidonic acid as substrate prein... |
Bioorg Med Chem 21: 2868-78 (2013)
Article DOI: 10.1016/j.bmc.2013.03.069
BindingDB Entry DOI: 10.7270/Q2JM2C1J |
More data for this
Ligand-Target Pair | |
Prostaglandin E synthase
(Homo sapiens (Human)) | BDBM50434668
(CHEMBL2387503)Show SMILES Fc1cccc(Cl)c1-c1nc2c([nH]1)c(=O)[nH]c1cc(ccc21)-c1ccccc1 Show InChI InChI=1S/C22H13ClFN3O/c23-15-7-4-8-16(24)18(15)21-26-19-14-10-9-13(12-5-2-1-3-6-12)11-17(14)25-22(28)20(19)27-21/h1-11H,(H,25,28)(H,26,27) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Dainippon Sumitomo Pharma. Co. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of mPGES1 (unknown origin)-mediated PGE2 synthesis transfected in HEK293 cells coexpressing COX1 using arachidonic acid as substrate prein... |
Bioorg Med Chem 21: 2868-78 (2013)
Article DOI: 10.1016/j.bmc.2013.03.069
BindingDB Entry DOI: 10.7270/Q2JM2C1J |
More data for this
Ligand-Target Pair | |
Prostaglandin E synthase
(Homo sapiens (Human)) | BDBM50434671
(CHEMBL2387507)Show SMILES Fc1cccc(Cl)c1-c1nc2c([nH]1)c(=O)[nH]c1cc(ccc21)-c1ccccc1Cl Show InChI InChI=1S/C22H12Cl2FN3O/c23-14-5-2-1-4-12(14)11-8-9-13-17(10-11)26-22(29)20-19(13)27-21(28-20)18-15(24)6-3-7-16(18)25/h1-10H,(H,26,29)(H,27,28) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Dainippon Sumitomo Pharma. Co. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of mPGES1 (unknown origin)-mediated PGE2 synthesis transfected in HEK293 cells coexpressing COX1 using arachidonic acid as substrate prein... |
Bioorg Med Chem 21: 2868-78 (2013)
Article DOI: 10.1016/j.bmc.2013.03.069
BindingDB Entry DOI: 10.7270/Q2JM2C1J |
More data for this
Ligand-Target Pair | |
Prostaglandin E synthase
(Homo sapiens (Human)) | BDBM50434673
(CHEMBL2387505)Show SMILES Cc1cccc(c1)-c1ccc2c3nc([nH]c3c(=O)[nH]c2c1)-c1c(F)cccc1Cl Show InChI InChI=1S/C23H15ClFN3O/c1-12-4-2-5-13(10-12)14-8-9-15-18(11-14)26-23(29)21-20(15)27-22(28-21)19-16(24)6-3-7-17(19)25/h2-11H,1H3,(H,26,29)(H,27,28) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Dainippon Sumitomo Pharma. Co. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of mPGES1 (unknown origin)-mediated PGE2 synthesis transfected in HEK293 cells coexpressing COX1 using arachidonic acid as substrate prein... |
Bioorg Med Chem 21: 2868-78 (2013)
Article DOI: 10.1016/j.bmc.2013.03.069
BindingDB Entry DOI: 10.7270/Q2JM2C1J |
More data for this
Ligand-Target Pair | |
Prostaglandin E synthase
(Homo sapiens (Human)) | BDBM50434685
(CHEMBL2387599)Show SMILES Clc1ccccc1-c1nc2c([nH]1)c(=O)[nH]c1cc(ccc21)-c1ccccc1 Show InChI InChI=1S/C22H14ClN3O/c23-17-9-5-4-8-15(17)21-25-19-16-11-10-14(13-6-2-1-3-7-13)12-18(16)24-22(27)20(19)26-21/h1-12H,(H,24,27)(H,25,26) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Dainippon Sumitomo Pharma. Co. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of mPGES1 (unknown origin)-mediated PGE2 synthesis transfected in HEK293 cells coexpressing COX1 using arachidonic acid as substrate prein... |
Bioorg Med Chem 21: 2868-78 (2013)
Article DOI: 10.1016/j.bmc.2013.03.069
BindingDB Entry DOI: 10.7270/Q2JM2C1J |
More data for this
Ligand-Target Pair | |
Prostaglandin E synthase
(Homo sapiens (Human)) | BDBM50434672
(CHEMBL2387506)Show SMILES Cc1ccc(cc1)-c1ccc2c3nc([nH]c3c(=O)[nH]c2c1)-c1c(F)cccc1Cl Show InChI InChI=1S/C23H15ClFN3O/c1-12-5-7-13(8-6-12)14-9-10-15-18(11-14)26-23(29)21-20(15)27-22(28-21)19-16(24)3-2-4-17(19)25/h2-11H,1H3,(H,26,29)(H,27,28) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 8.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Dainippon Sumitomo Pharma. Co. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of mPGES1 (unknown origin)-mediated PGE2 synthesis transfected in HEK293 cells coexpressing COX1 using arachidonic acid as substrate prein... |
Bioorg Med Chem 21: 2868-78 (2013)
Article DOI: 10.1016/j.bmc.2013.03.069
BindingDB Entry DOI: 10.7270/Q2JM2C1J |
More data for this
Ligand-Target Pair | |
Prostaglandin E synthase
(Homo sapiens (Human)) | BDBM50360832
(CHEMBL1934810)Show SMILES Clc1ccccc1-c1nc2c([nH]1)c(=O)[nH]c1cc(Br)ccc21 Show InChI InChI=1S/C16H9BrClN3O/c17-8-5-6-10-12(7-8)19-16(22)14-13(10)20-15(21-14)9-3-1-2-4-11(9)18/h1-7H,(H,19,22)(H,20,21) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 9.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Dainippon Sumitomo Pharma. Co. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of mPGES1 (unknown origin)-mediated PGE2 synthesis transfected in HEK293 cells coexpressing COX1 using arachidonic acid as substrate prein... |
Bioorg Med Chem 21: 2868-78 (2013)
Article DOI: 10.1016/j.bmc.2013.03.069
BindingDB Entry DOI: 10.7270/Q2JM2C1J |
More data for this
Ligand-Target Pair | |
Prostaglandin E synthase
(Homo sapiens (Human)) | BDBM50434674
(CHEMBL2387504)Show SMILES Cc1ccccc1-c1ccc2c3nc([nH]c3c(=O)[nH]c2c1)-c1c(F)cccc1Cl Show InChI InChI=1S/C23H15ClFN3O/c1-12-5-2-3-6-14(12)13-9-10-15-18(11-13)26-23(29)21-20(15)27-22(28-21)19-16(24)7-4-8-17(19)25/h2-11H,1H3,(H,26,29)(H,27,28) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 9.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Dainippon Sumitomo Pharma. Co. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of mPGES1 (unknown origin)-mediated PGE2 synthesis transfected in HEK293 cells coexpressing COX1 using arachidonic acid as substrate prein... |
Bioorg Med Chem 21: 2868-78 (2013)
Article DOI: 10.1016/j.bmc.2013.03.069
BindingDB Entry DOI: 10.7270/Q2JM2C1J |
More data for this
Ligand-Target Pair | |
Prostaglandin E synthase
(Homo sapiens (Human)) | BDBM50434675
(CHEMBL2387502)Show SMILES [O-][N+](=O)c1cccc(Cl)c1-c1nc2c([nH]1)c(=O)[nH]c1cc(ccc21)-c1ccccc1 Show InChI InChI=1S/C22H13ClN4O3/c23-15-7-4-8-17(27(29)30)18(15)21-25-19-14-10-9-13(12-5-2-1-3-6-12)11-16(14)24-22(28)20(19)26-21/h1-11H,(H,24,28)(H,25,26) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Dainippon Sumitomo Pharma. Co. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of mPGES1 (unknown origin)-mediated PGE2 synthesis transfected in HEK293 cells coexpressing COX1 using arachidonic acid as substrate prein... |
Bioorg Med Chem 21: 2868-78 (2013)
Article DOI: 10.1016/j.bmc.2013.03.069
BindingDB Entry DOI: 10.7270/Q2JM2C1J |
More data for this
Ligand-Target Pair | |
Prostaglandin E synthase
(Homo sapiens (Human)) | BDBM50434676
(CHEMBL2387501)Show SMILES FC(F)(F)c1cccc(Cl)c1-c1nc2c([nH]1)c(=O)[nH]c1cc(ccc21)-c1ccccc1 Show InChI InChI=1S/C23H13ClF3N3O/c24-16-8-4-7-15(23(25,26)27)18(16)21-29-19-14-10-9-13(12-5-2-1-3-6-12)11-17(14)28-22(31)20(19)30-21/h1-11H,(H,28,31)(H,29,30) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Dainippon Sumitomo Pharma. Co. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of mPGES1 (unknown origin)-mediated PGE2 synthesis transfected in HEK293 cells coexpressing COX1 using arachidonic acid as substrate prein... |
Bioorg Med Chem 21: 2868-78 (2013)
Article DOI: 10.1016/j.bmc.2013.03.069
BindingDB Entry DOI: 10.7270/Q2JM2C1J |
More data for this
Ligand-Target Pair | |
Prostaglandin E synthase
(Homo sapiens (Human)) | BDBM50434677
(CHEMBL2387500)Show SMILES Cc1cccc(Cl)c1-c1nc2c([nH]1)c(=O)[nH]c1cc(ccc21)-c1ccccc1 Show InChI InChI=1S/C23H16ClN3O/c1-13-6-5-9-17(24)19(13)22-26-20-16-11-10-15(14-7-3-2-4-8-14)12-18(16)25-23(28)21(20)27-22/h2-12H,1H3,(H,25,28)(H,26,27) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Dainippon Sumitomo Pharma. Co. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of mPGES1 (unknown origin)-mediated PGE2 synthesis transfected in HEK293 cells coexpressing COX1 using arachidonic acid as substrate prein... |
Bioorg Med Chem 21: 2868-78 (2013)
Article DOI: 10.1016/j.bmc.2013.03.069
BindingDB Entry DOI: 10.7270/Q2JM2C1J |
More data for this
Ligand-Target Pair | |
Prostaglandin E synthase
(Homo sapiens (Human)) | BDBM50434688
(CHEMBL2387596)Show SMILES CCCCc1ccc2c3nc([nH]c3c(=O)[nH]c2c1)-c1ccccc1Cl Show InChI InChI=1S/C20H18ClN3O/c1-2-3-6-12-9-10-14-16(11-12)22-20(25)18-17(14)23-19(24-18)13-7-4-5-8-15(13)21/h4-5,7-11H,2-3,6H2,1H3,(H,22,25)(H,23,24) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
Dainippon Sumitomo Pharma. Co. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of mPGES1 (unknown origin)-mediated PGE2 synthesis transfected in HEK293 cells coexpressing COX1 using arachidonic acid as substrate prein... |
Bioorg Med Chem 21: 2868-78 (2013)
Article DOI: 10.1016/j.bmc.2013.03.069
BindingDB Entry DOI: 10.7270/Q2JM2C1J |
More data for this
Ligand-Target Pair | |
Prostaglandin E synthase
(Homo sapiens (Human)) | BDBM50434684
(CHEMBL2387600)Show SMILES Clc1ccccc1-c1nc2c([nH]1)c(=O)[nH]c1cc(Cc3ccccc3)ccc21 Show InChI InChI=1S/C23H16ClN3O/c24-18-9-5-4-8-16(18)22-26-20-17-11-10-15(12-14-6-2-1-3-7-14)13-19(17)25-23(28)21(20)27-22/h1-11,13H,12H2,(H,25,28)(H,26,27) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
Dainippon Sumitomo Pharma. Co. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of mPGES1 (unknown origin)-mediated PGE2 synthesis transfected in HEK293 cells coexpressing COX1 using arachidonic acid as substrate prein... |
Bioorg Med Chem 21: 2868-78 (2013)
Article DOI: 10.1016/j.bmc.2013.03.069
BindingDB Entry DOI: 10.7270/Q2JM2C1J |
More data for this
Ligand-Target Pair | |
Prostaglandin E synthase
(Homo sapiens (Human)) | BDBM50434683
(CHEMBL2387601)Show SMILES Clc1ccccc1-c1nc2c([nH]1)c(=O)[nH]c1cc(CCc3ccccc3)ccc21 Show InChI InChI=1S/C24H18ClN3O/c25-19-9-5-4-8-17(19)23-27-21-18-13-12-16(11-10-15-6-2-1-3-7-15)14-20(18)26-24(29)22(21)28-23/h1-9,12-14H,10-11H2,(H,26,29)(H,27,28) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 21 | n/a | n/a | n/a | n/a | n/a | n/a |
Dainippon Sumitomo Pharma. Co. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of mPGES1 (unknown origin)-mediated PGE2 synthesis transfected in HEK293 cells coexpressing COX1 using arachidonic acid as substrate prein... |
Bioorg Med Chem 21: 2868-78 (2013)
Article DOI: 10.1016/j.bmc.2013.03.069
BindingDB Entry DOI: 10.7270/Q2JM2C1J |
More data for this
Ligand-Target Pair | |
Prostaglandin E synthase
(Homo sapiens (Human)) | BDBM50434681
(CHEMBL2387603)Show SMILES Clc1ccccc1-c1nc2c([nH]1)c(=O)[nH]c1cc(ccc21)-c1cccs1 Show InChI InChI=1S/C20H12ClN3OS/c21-14-5-2-1-4-12(14)19-23-17-13-8-7-11(16-6-3-9-26-16)10-15(13)22-20(25)18(17)24-19/h1-10H,(H,22,25)(H,23,24) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 21 | n/a | n/a | n/a | n/a | n/a | n/a |
Dainippon Sumitomo Pharma. Co. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of mPGES1 (unknown origin)-mediated PGE2 synthesis transfected in HEK293 cells coexpressing COX1 using arachidonic acid as substrate prein... |
Bioorg Med Chem 21: 2868-78 (2013)
Article DOI: 10.1016/j.bmc.2013.03.069
BindingDB Entry DOI: 10.7270/Q2JM2C1J |
More data for this
Ligand-Target Pair | |
Prostaglandin E synthase
(Homo sapiens (Human)) | BDBM50434680
(CHEMBL2387604)Show SMILES Clc1ccccc1-c1nc2c([nH]1)c(=O)[nH]c1cc(ccc21)-c1ccco1 Show InChI InChI=1S/C20H12ClN3O2/c21-14-5-2-1-4-12(14)19-23-17-13-8-7-11(16-6-3-9-26-16)10-15(13)22-20(25)18(17)24-19/h1-10H,(H,22,25)(H,23,24) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 22 | n/a | n/a | n/a | n/a | n/a | n/a |
Dainippon Sumitomo Pharma. Co. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of mPGES1 (unknown origin)-mediated PGE2 synthesis transfected in HEK293 cells coexpressing COX1 using arachidonic acid as substrate prein... |
Bioorg Med Chem 21: 2868-78 (2013)
Article DOI: 10.1016/j.bmc.2013.03.069
BindingDB Entry DOI: 10.7270/Q2JM2C1J |
More data for this
Ligand-Target Pair | |
Prostaglandin E synthase
(Homo sapiens (Human)) | BDBM50434694
(CHEMBL2387590)Show SMILES Clc1ccc2c3nc([nH]c3c(=O)[nH]c2c1)-c1ccccc1Cl Show InChI InChI=1S/C16H9Cl2N3O/c17-8-5-6-10-12(7-8)19-16(22)14-13(10)20-15(21-14)9-3-1-2-4-11(9)18/h1-7H,(H,19,22)(H,20,21) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 27 | n/a | n/a | n/a | n/a | n/a | n/a |
Dainippon Sumitomo Pharma. Co. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of mPGES1 (unknown origin)-mediated PGE2 synthesis transfected in HEK293 cells coexpressing COX1 using arachidonic acid as substrate prein... |
Bioorg Med Chem 21: 2868-78 (2013)
Article DOI: 10.1016/j.bmc.2013.03.069
BindingDB Entry DOI: 10.7270/Q2JM2C1J |
More data for this
Ligand-Target Pair | |
Prostaglandin E synthase
(Homo sapiens (Human)) | BDBM50434682
(CHEMBL2387602)Show SMILES Clc1ccccc1-c1nc2c([nH]1)c(=O)[nH]c1cc(ccc21)-c1ccc2ccccc2c1 Show InChI InChI=1S/C26H16ClN3O/c27-21-8-4-3-7-19(21)25-29-23-20-12-11-18(14-22(20)28-26(31)24(23)30-25)17-10-9-15-5-1-2-6-16(15)13-17/h1-14H,(H,28,31)(H,29,30) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 32 | n/a | n/a | n/a | n/a | n/a | n/a |
Dainippon Sumitomo Pharma. Co. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of mPGES1 (unknown origin)-mediated PGE2 synthesis transfected in HEK293 cells coexpressing COX1 using arachidonic acid as substrate prein... |
Bioorg Med Chem 21: 2868-78 (2013)
Article DOI: 10.1016/j.bmc.2013.03.069
BindingDB Entry DOI: 10.7270/Q2JM2C1J |
More data for this
Ligand-Target Pair | |
Prostaglandin E synthase
(Homo sapiens (Human)) | BDBM50434668
(CHEMBL2387503)Show SMILES Fc1cccc(Cl)c1-c1nc2c([nH]1)c(=O)[nH]c1cc(ccc21)-c1ccccc1 Show InChI InChI=1S/C22H13ClFN3O/c23-15-7-4-8-16(24)18(15)21-26-19-14-10-9-13(12-5-2-1-3-6-12)11-17(14)25-22(28)20(19)27-21/h1-11H,(H,25,28)(H,26,27) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 33 | n/a | n/a | n/a | n/a | n/a | n/a |
Dainippon Sumitomo Pharma. Co. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of mPGES1-mediated PGE2 release in IL1alpha-stimulated human A549 cells |
Bioorg Med Chem 21: 2868-78 (2013)
Article DOI: 10.1016/j.bmc.2013.03.069
BindingDB Entry DOI: 10.7270/Q2JM2C1J |
More data for this
Ligand-Target Pair | |
Prostaglandin E synthase
(Homo sapiens (Human)) | BDBM50434689
(CHEMBL2387595)Show SMILES CCCc1ccc2c3nc([nH]c3c(=O)[nH]c2c1)-c1ccccc1Cl Show InChI InChI=1S/C19H16ClN3O/c1-2-5-11-8-9-13-15(10-11)21-19(24)17-16(13)22-18(23-17)12-6-3-4-7-14(12)20/h3-4,6-10H,2,5H2,1H3,(H,21,24)(H,22,23) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 47 | n/a | n/a | n/a | n/a | n/a | n/a |
Dainippon Sumitomo Pharma. Co. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of mPGES1 (unknown origin)-mediated PGE2 synthesis transfected in HEK293 cells coexpressing COX1 using arachidonic acid as substrate prein... |
Bioorg Med Chem 21: 2868-78 (2013)
Article DOI: 10.1016/j.bmc.2013.03.069
BindingDB Entry DOI: 10.7270/Q2JM2C1J |
More data for this
Ligand-Target Pair | |
Prostaglandin E synthase
(Homo sapiens (Human)) | BDBM50434687
(CHEMBL2387597)Show SMILES CCCCCc1ccc2c3nc([nH]c3c(=O)[nH]c2c1)-c1ccccc1Cl Show InChI InChI=1S/C21H20ClN3O/c1-2-3-4-7-13-10-11-15-17(12-13)23-21(26)19-18(15)24-20(25-19)14-8-5-6-9-16(14)22/h5-6,8-12H,2-4,7H2,1H3,(H,23,26)(H,24,25) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 53 | n/a | n/a | n/a | n/a | n/a | n/a |
Dainippon Sumitomo Pharma. Co. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of mPGES1 (unknown origin)-mediated PGE2 synthesis transfected in HEK293 cells coexpressing COX1 using arachidonic acid as substrate prein... |
Bioorg Med Chem 21: 2868-78 (2013)
Article DOI: 10.1016/j.bmc.2013.03.069
BindingDB Entry DOI: 10.7270/Q2JM2C1J |
More data for this
Ligand-Target Pair | |
Prostaglandin E synthase
(Homo sapiens (Human)) | BDBM50434686
(CHEMBL2387598)Show SMILES CCCCCCc1ccc2c3nc([nH]c3c(=O)[nH]c2c1)-c1ccccc1Cl Show InChI InChI=1S/C22H22ClN3O/c1-2-3-4-5-8-14-11-12-16-18(13-14)24-22(27)20-19(16)25-21(26-20)15-9-6-7-10-17(15)23/h6-7,9-13H,2-5,8H2,1H3,(H,24,27)(H,25,26) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 70 | n/a | n/a | n/a | n/a | n/a | n/a |
Dainippon Sumitomo Pharma. Co. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of mPGES1 (unknown origin)-mediated PGE2 synthesis transfected in HEK293 cells coexpressing COX1 using arachidonic acid as substrate prein... |
Bioorg Med Chem 21: 2868-78 (2013)
Article DOI: 10.1016/j.bmc.2013.03.069
BindingDB Entry DOI: 10.7270/Q2JM2C1J |
More data for this
Ligand-Target Pair | |
Prostaglandin E synthase
(Homo sapiens (Human)) | BDBM50434690
(CHEMBL2387594)Show SMILES CCc1ccc2c3nc([nH]c3c(=O)[nH]c2c1)-c1ccccc1Cl Show InChI InChI=1S/C18H14ClN3O/c1-2-10-7-8-12-14(9-10)20-18(23)16-15(12)21-17(22-16)11-5-3-4-6-13(11)19/h3-9H,2H2,1H3,(H,20,23)(H,21,22) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 98 | n/a | n/a | n/a | n/a | n/a | n/a |
Dainippon Sumitomo Pharma. Co. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of mPGES1 (unknown origin)-mediated PGE2 synthesis transfected in HEK293 cells coexpressing COX1 using arachidonic acid as substrate prein... |
Bioorg Med Chem 21: 2868-78 (2013)
Article DOI: 10.1016/j.bmc.2013.03.069
BindingDB Entry DOI: 10.7270/Q2JM2C1J |
More data for this
Ligand-Target Pair | |
Prostaglandin E synthase
(Homo sapiens (Human)) | BDBM50434693
(CHEMBL2387591)Show SMILES Clc1ccccc1-c1nc2c([nH]1)c(=O)[nH]c1ccc(Br)cc21 Show InChI InChI=1S/C16H9BrClN3O/c17-8-5-6-12-10(7-8)13-14(16(22)19-12)21-15(20-13)9-3-1-2-4-11(9)18/h1-7H,(H,19,22)(H,20,21) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 198 | n/a | n/a | n/a | n/a | n/a | n/a |
Dainippon Sumitomo Pharma. Co. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of mPGES1 (unknown origin)-mediated PGE2 synthesis transfected in HEK293 cells coexpressing COX1 using arachidonic acid as substrate prein... |
Bioorg Med Chem 21: 2868-78 (2013)
Article DOI: 10.1016/j.bmc.2013.03.069
BindingDB Entry DOI: 10.7270/Q2JM2C1J |
More data for this
Ligand-Target Pair | |
Prostaglandin E synthase
(Homo sapiens (Human)) | BDBM50434691
(CHEMBL2387593)Show SMILES Cc1ccc2c3nc([nH]c3c(=O)[nH]c2c1)-c1ccccc1Cl Show InChI InChI=1S/C17H12ClN3O/c1-9-6-7-11-13(8-9)19-17(22)15-14(11)20-16(21-15)10-4-2-3-5-12(10)18/h2-8H,1H3,(H,19,22)(H,20,21) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 241 | n/a | n/a | n/a | n/a | n/a | n/a |
Dainippon Sumitomo Pharma. Co. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of mPGES1 (unknown origin)-mediated PGE2 synthesis transfected in HEK293 cells coexpressing COX1 using arachidonic acid as substrate prein... |
Bioorg Med Chem 21: 2868-78 (2013)
Article DOI: 10.1016/j.bmc.2013.03.069
BindingDB Entry DOI: 10.7270/Q2JM2C1J |
More data for this
Ligand-Target Pair | |
Prostaglandin E synthase
(Homo sapiens (Human)) | BDBM50434692
(CHEMBL2387592)Show SMILES Clc1ccc2[nH]c(=O)c3[nH]c(nc3c2c1)-c1ccccc1Cl Show InChI InChI=1S/C16H9Cl2N3O/c17-8-5-6-12-10(7-8)13-14(16(22)19-12)21-15(20-13)9-3-1-2-4-11(9)18/h1-7H,(H,19,22)(H,20,21) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 434 | n/a | n/a | n/a | n/a | n/a | n/a |
Dainippon Sumitomo Pharma. Co. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of mPGES1 (unknown origin)-mediated PGE2 synthesis transfected in HEK293 cells coexpressing COX1 using arachidonic acid as substrate prein... |
Bioorg Med Chem 21: 2868-78 (2013)
Article DOI: 10.1016/j.bmc.2013.03.069
BindingDB Entry DOI: 10.7270/Q2JM2C1J |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50360832
(CHEMBL1934810)Show SMILES Clc1ccccc1-c1nc2c([nH]1)c(=O)[nH]c1cc(Br)ccc21 Show InChI InChI=1S/C16H9BrClN3O/c17-8-5-6-10-12(7-8)19-16(22)14-13(10)20-15(21-14)9-3-1-2-4-11(9)18/h1-7H,(H,19,22)(H,20,21) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 700 | n/a | n/a | n/a | n/a | n/a | n/a |
Dainippon Sumitomo Pharma. Co. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C9 in human liver microsomes after 10 mins by LC/MS/MS analysis |
Bioorg Med Chem 21: 2868-78 (2013)
Article DOI: 10.1016/j.bmc.2013.03.069
BindingDB Entry DOI: 10.7270/Q2JM2C1J |
More data for this
Ligand-Target Pair | |
Prostaglandin E synthase
(Homo sapiens (Human)) | BDBM50434695
(CHEMBL2387589)Show InChI InChI=1S/C16H10ClN3O/c17-11-7-3-1-5-9(11)15-19-13-10-6-2-4-8-12(10)18-16(21)14(13)20-15/h1-8H,(H,18,21)(H,19,20) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 891 | n/a | n/a | n/a | n/a | n/a | n/a |
Dainippon Sumitomo Pharma. Co. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of mPGES1 (unknown origin)-mediated PGE2 synthesis transfected in HEK293 cells coexpressing COX1 using arachidonic acid as substrate prein... |
Bioorg Med Chem 21: 2868-78 (2013)
Article DOI: 10.1016/j.bmc.2013.03.069
BindingDB Entry DOI: 10.7270/Q2JM2C1J |
More data for this
Ligand-Target Pair | |
Prostaglandin E synthase
(Homo sapiens (Human)) | BDBM50434679
(CHEMBL2387605)Show SMILES Clc1ccccc1-c1nc2c([nH]1)c(=O)[nH]c1cc(ccc21)-c1cccnc1 Show InChI InChI=1S/C21H13ClN4O/c22-16-6-2-1-5-14(16)20-25-18-15-8-7-12(13-4-3-9-23-11-13)10-17(15)24-21(27)19(18)26-20/h1-11H,(H,24,27)(H,25,26) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 908 | n/a | n/a | n/a | n/a | n/a | n/a |
Dainippon Sumitomo Pharma. Co. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of mPGES1 (unknown origin)-mediated PGE2 synthesis transfected in HEK293 cells coexpressing COX1 using arachidonic acid as substrate prein... |
Bioorg Med Chem 21: 2868-78 (2013)
Article DOI: 10.1016/j.bmc.2013.03.069
BindingDB Entry DOI: 10.7270/Q2JM2C1J |
More data for this
Ligand-Target Pair | |
Prostaglandin E synthase
(Homo sapiens (Human)) | BDBM50434678
(CHEMBL2387606)Show SMILES Clc1ccccc1-c1nc2c([nH]1)c(=O)[nH]c1cc(ccc21)-c1ccncc1 Show InChI InChI=1S/C21H13ClN4O/c22-16-4-2-1-3-14(16)20-25-18-15-6-5-13(12-7-9-23-10-8-12)11-17(15)24-21(27)19(18)26-20/h1-11H,(H,24,27)(H,25,26) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.13E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Dainippon Sumitomo Pharma. Co. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of mPGES1 (unknown origin)-mediated PGE2 synthesis transfected in HEK293 cells coexpressing COX1 using arachidonic acid as substrate prein... |
Bioorg Med Chem 21: 2868-78 (2013)
Article DOI: 10.1016/j.bmc.2013.03.069
BindingDB Entry DOI: 10.7270/Q2JM2C1J |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50434673
(CHEMBL2387505)Show SMILES Cc1cccc(c1)-c1ccc2c3nc([nH]c3c(=O)[nH]c2c1)-c1c(F)cccc1Cl Show InChI InChI=1S/C23H15ClFN3O/c1-12-4-2-5-13(10-12)14-8-9-15-18(11-14)26-23(29)21-20(15)27-22(28-21)19-16(24)6-3-7-17(19)25/h2-11H,1H3,(H,26,29)(H,27,28) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Dainippon Sumitomo Pharma. Co. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 in human liver microsomes after 10 mins by LC/MS/MS analysis |
Bioorg Med Chem 21: 2868-78 (2013)
Article DOI: 10.1016/j.bmc.2013.03.069
BindingDB Entry DOI: 10.7270/Q2JM2C1J |
More data for this
Ligand-Target Pair | |
Thromboxane-A synthase
(Homo sapiens (Human)) | BDBM50434668
(CHEMBL2387503)Show SMILES Fc1cccc(Cl)c1-c1nc2c([nH]1)c(=O)[nH]c1cc(ccc21)-c1ccccc1 Show InChI InChI=1S/C22H13ClFN3O/c23-15-7-4-8-16(24)18(15)21-26-19-14-10-9-13(12-5-2-1-3-6-12)11-17(14)25-22(28)20(19)27-21/h1-11H,(H,25,28)(H,26,27) | KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Dainippon Sumitomo Pharma. Co. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of thromboxane synthase (unknown origin) |
Bioorg Med Chem 21: 2868-78 (2013)
Article DOI: 10.1016/j.bmc.2013.03.069
BindingDB Entry DOI: 10.7270/Q2JM2C1J |
More data for this
Ligand-Target Pair | |
Leukotriene C4 synthase
(Homo sapiens (Human)) | BDBM50434668
(CHEMBL2387503)Show SMILES Fc1cccc(Cl)c1-c1nc2c([nH]1)c(=O)[nH]c1cc(ccc21)-c1ccccc1 Show InChI InChI=1S/C22H13ClFN3O/c23-15-7-4-8-16(24)18(15)21-26-19-14-10-9-13(12-5-2-1-3-6-12)11-17(14)25-22(28)20(19)27-21/h1-11H,(H,25,28)(H,26,27) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Dainippon Sumitomo Pharma. Co. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of LTC4S (unknown origin) |
Bioorg Med Chem 21: 2868-78 (2013)
Article DOI: 10.1016/j.bmc.2013.03.069
BindingDB Entry DOI: 10.7270/Q2JM2C1J |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50434684
(CHEMBL2387600)Show SMILES Clc1ccccc1-c1nc2c([nH]1)c(=O)[nH]c1cc(Cc3ccccc3)ccc21 Show InChI InChI=1S/C23H16ClN3O/c24-18-9-5-4-8-16(18)22-26-20-17-11-10-15(12-14-6-2-1-3-7-14)13-19(17)25-23(28)21(20)27-22/h1-11,13H,12H2,(H,25,28)(H,26,27) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Dainippon Sumitomo Pharma. Co. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C9 in human liver microsomes after 10 mins by LC/MS/MS analysis |
Bioorg Med Chem 21: 2868-78 (2013)
Article DOI: 10.1016/j.bmc.2013.03.069
BindingDB Entry DOI: 10.7270/Q2JM2C1J |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50434676
(CHEMBL2387501)Show SMILES FC(F)(F)c1cccc(Cl)c1-c1nc2c([nH]1)c(=O)[nH]c1cc(ccc21)-c1ccccc1 Show InChI InChI=1S/C23H13ClF3N3O/c24-16-8-4-7-15(23(25,26)27)18(16)21-29-19-14-10-9-13(12-5-2-1-3-6-12)11-17(14)28-22(31)20(19)30-21/h1-11H,(H,28,31)(H,29,30) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Dainippon Sumitomo Pharma. Co. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C19 in human liver microsomes after 10 mins by LC/MS/MS analysis |
Bioorg Med Chem 21: 2868-78 (2013)
Article DOI: 10.1016/j.bmc.2013.03.069
BindingDB Entry DOI: 10.7270/Q2JM2C1J |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50434673
(CHEMBL2387505)Show SMILES Cc1cccc(c1)-c1ccc2c3nc([nH]c3c(=O)[nH]c2c1)-c1c(F)cccc1Cl Show InChI InChI=1S/C23H15ClFN3O/c1-12-4-2-5-13(10-12)14-8-9-15-18(11-14)26-23(29)21-20(15)27-22(28-21)19-16(24)6-3-7-17(19)25/h2-11H,1H3,(H,26,29)(H,27,28) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 9.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Dainippon Sumitomo Pharma. Co. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C9 in human liver microsomes after 10 mins by LC/MS/MS analysis |
Bioorg Med Chem 21: 2868-78 (2013)
Article DOI: 10.1016/j.bmc.2013.03.069
BindingDB Entry DOI: 10.7270/Q2JM2C1J |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50434676
(CHEMBL2387501)Show SMILES FC(F)(F)c1cccc(Cl)c1-c1nc2c([nH]1)c(=O)[nH]c1cc(ccc21)-c1ccccc1 Show InChI InChI=1S/C23H13ClF3N3O/c24-16-8-4-7-15(23(25,26)27)18(16)21-29-19-14-10-9-13(12-5-2-1-3-6-12)11-17(14)28-22(31)20(19)30-21/h1-11H,(H,28,31)(H,29,30) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 9.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Dainippon Sumitomo Pharma. Co. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C9 in human liver microsomes after 10 mins by LC/MS/MS analysis |
Bioorg Med Chem 21: 2868-78 (2013)
Article DOI: 10.1016/j.bmc.2013.03.069
BindingDB Entry DOI: 10.7270/Q2JM2C1J |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50434674
(CHEMBL2387504)Show SMILES Cc1ccccc1-c1ccc2c3nc([nH]c3c(=O)[nH]c2c1)-c1c(F)cccc1Cl Show InChI InChI=1S/C23H15ClFN3O/c1-12-5-2-3-6-14(12)13-9-10-15-18(11-13)26-23(29)21-20(15)27-22(28-21)19-16(24)7-4-8-17(19)25/h2-11H,1H3,(H,26,29)(H,27,28) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.70E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Dainippon Sumitomo Pharma. Co. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C9 in human liver microsomes after 10 mins by LC/MS/MS analysis |
Bioorg Med Chem 21: 2868-78 (2013)
Article DOI: 10.1016/j.bmc.2013.03.069
BindingDB Entry DOI: 10.7270/Q2JM2C1J |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50360832
(CHEMBL1934810)Show SMILES Clc1ccccc1-c1nc2c([nH]1)c(=O)[nH]c1cc(Br)ccc21 Show InChI InChI=1S/C16H9BrClN3O/c17-8-5-6-10-12(7-8)19-16(22)14-13(10)20-15(21-14)9-3-1-2-4-11(9)18/h1-7H,(H,19,22)(H,20,21) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Dainippon Sumitomo Pharma. Co. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C19 in human liver microsomes after 10 mins by LC/MS/MS analysis |
Bioorg Med Chem 21: 2868-78 (2013)
Article DOI: 10.1016/j.bmc.2013.03.069
BindingDB Entry DOI: 10.7270/Q2JM2C1J |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50434675
(CHEMBL2387502)Show SMILES [O-][N+](=O)c1cccc(Cl)c1-c1nc2c([nH]1)c(=O)[nH]c1cc(ccc21)-c1ccccc1 Show InChI InChI=1S/C22H13ClN4O3/c23-15-7-4-8-17(27(29)30)18(15)21-25-19-14-10-9-13(12-5-2-1-3-6-12)11-16(14)24-22(28)20(19)26-21/h1-11H,(H,24,28)(H,25,26) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Dainippon Sumitomo Pharma. Co. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C9 in human liver microsomes after 10 mins by LC/MS/MS analysis |
Bioorg Med Chem 21: 2868-78 (2013)
Article DOI: 10.1016/j.bmc.2013.03.069
BindingDB Entry DOI: 10.7270/Q2JM2C1J |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50434690
(CHEMBL2387594)Show SMILES CCc1ccc2c3nc([nH]c3c(=O)[nH]c2c1)-c1ccccc1Cl Show InChI InChI=1S/C18H14ClN3O/c1-2-10-7-8-12-14(9-10)20-18(23)16-15(12)21-17(22-16)11-5-3-4-6-13(11)19/h3-9H,2H2,1H3,(H,20,23)(H,21,22) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Dainippon Sumitomo Pharma. Co. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C9 in human liver microsomes after 10 mins by LC/MS/MS analysis |
Bioorg Med Chem 21: 2868-78 (2013)
Article DOI: 10.1016/j.bmc.2013.03.069
BindingDB Entry DOI: 10.7270/Q2JM2C1J |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50434671
(CHEMBL2387507)Show SMILES Fc1cccc(Cl)c1-c1nc2c([nH]1)c(=O)[nH]c1cc(ccc21)-c1ccccc1Cl Show InChI InChI=1S/C22H12Cl2FN3O/c23-14-5-2-1-4-12(14)11-8-9-13-17(10-11)26-22(29)20-19(13)27-21(28-20)18-15(24)6-3-7-16(18)25/h1-10H,(H,26,29)(H,27,28) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Dainippon Sumitomo Pharma. Co. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C9 in human liver microsomes after 10 mins by LC/MS/MS analysis |
Bioorg Med Chem 21: 2868-78 (2013)
Article DOI: 10.1016/j.bmc.2013.03.069
BindingDB Entry DOI: 10.7270/Q2JM2C1J |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50434679
(CHEMBL2387605)Show SMILES Clc1ccccc1-c1nc2c([nH]1)c(=O)[nH]c1cc(ccc21)-c1cccnc1 Show InChI InChI=1S/C21H13ClN4O/c22-16-6-2-1-5-14(16)20-25-18-15-8-7-12(13-4-3-9-23-11-13)10-17(15)24-21(27)19(18)26-20/h1-11H,(H,24,27)(H,25,26) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Dainippon Sumitomo Pharma. Co. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C19 in human liver microsomes after 10 mins by LC/MS/MS analysis |
Bioorg Med Chem 21: 2868-78 (2013)
Article DOI: 10.1016/j.bmc.2013.03.069
BindingDB Entry DOI: 10.7270/Q2JM2C1J |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50434689
(CHEMBL2387595)Show SMILES CCCc1ccc2c3nc([nH]c3c(=O)[nH]c2c1)-c1ccccc1Cl Show InChI InChI=1S/C19H16ClN3O/c1-2-5-11-8-9-13-15(10-11)21-19(24)17-16(13)22-18(23-17)12-6-3-4-7-14(12)20/h3-4,6-10H,2,5H2,1H3,(H,21,24)(H,22,23) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.40E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Dainippon Sumitomo Pharma. Co. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C9 in human liver microsomes after 10 mins by LC/MS/MS analysis |
Bioorg Med Chem 21: 2868-78 (2013)
Article DOI: 10.1016/j.bmc.2013.03.069
BindingDB Entry DOI: 10.7270/Q2JM2C1J |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50434679
(CHEMBL2387605)Show SMILES Clc1ccccc1-c1nc2c([nH]1)c(=O)[nH]c1cc(ccc21)-c1cccnc1 Show InChI InChI=1S/C21H13ClN4O/c22-16-6-2-1-5-14(16)20-25-18-15-8-7-12(13-4-3-9-23-11-13)10-17(15)24-21(27)19(18)26-20/h1-11H,(H,24,27)(H,25,26) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Dainippon Sumitomo Pharma. Co. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C9 in human liver microsomes after 10 mins by LC/MS/MS analysis |
Bioorg Med Chem 21: 2868-78 (2013)
Article DOI: 10.1016/j.bmc.2013.03.069
BindingDB Entry DOI: 10.7270/Q2JM2C1J |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50434686
(CHEMBL2387598)Show SMILES CCCCCCc1ccc2c3nc([nH]c3c(=O)[nH]c2c1)-c1ccccc1Cl Show InChI InChI=1S/C22H22ClN3O/c1-2-3-4-5-8-14-11-12-16-18(13-14)24-22(27)20-19(16)25-21(26-20)15-9-6-7-10-17(15)23/h6-7,9-13H,2-5,8H2,1H3,(H,24,27)(H,25,26) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Dainippon Sumitomo Pharma. Co. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C19 in human liver microsomes after 10 mins by LC/MS/MS analysis |
Bioorg Med Chem 21: 2868-78 (2013)
Article DOI: 10.1016/j.bmc.2013.03.069
BindingDB Entry DOI: 10.7270/Q2JM2C1J |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50434689
(CHEMBL2387595)Show SMILES CCCc1ccc2c3nc([nH]c3c(=O)[nH]c2c1)-c1ccccc1Cl Show InChI InChI=1S/C19H16ClN3O/c1-2-5-11-8-9-13-15(10-11)21-19(24)17-16(13)22-18(23-17)12-6-3-4-7-14(12)20/h3-4,6-10H,2,5H2,1H3,(H,21,24)(H,22,23) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Dainippon Sumitomo Pharma. Co. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C19 in human liver microsomes after 10 mins by LC/MS/MS analysis |
Bioorg Med Chem 21: 2868-78 (2013)
Article DOI: 10.1016/j.bmc.2013.03.069
BindingDB Entry DOI: 10.7270/Q2JM2C1J |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50434668
(CHEMBL2387503)Show SMILES Fc1cccc(Cl)c1-c1nc2c([nH]1)c(=O)[nH]c1cc(ccc21)-c1ccccc1 Show InChI InChI=1S/C22H13ClFN3O/c23-15-7-4-8-16(24)18(15)21-26-19-14-10-9-13(12-5-2-1-3-6-12)11-17(14)25-22(28)20(19)27-21/h1-11H,(H,25,28)(H,26,27) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Dainippon Sumitomo Pharma. Co. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C9 in human liver microsomes after 10 mins by LC/MS/MS analysis |
Bioorg Med Chem 21: 2868-78 (2013)
Article DOI: 10.1016/j.bmc.2013.03.069
BindingDB Entry DOI: 10.7270/Q2JM2C1J |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50434691
(CHEMBL2387593)Show SMILES Cc1ccc2c3nc([nH]c3c(=O)[nH]c2c1)-c1ccccc1Cl Show InChI InChI=1S/C17H12ClN3O/c1-9-6-7-11-13(8-9)19-17(22)15-14(11)20-16(21-15)10-4-2-3-5-12(10)18/h2-8H,1H3,(H,19,22)(H,20,21) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Dainippon Sumitomo Pharma. Co. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C9 in human liver microsomes after 10 mins by LC/MS/MS analysis |
Bioorg Med Chem 21: 2868-78 (2013)
Article DOI: 10.1016/j.bmc.2013.03.069
BindingDB Entry DOI: 10.7270/Q2JM2C1J |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50434693
(CHEMBL2387591)Show SMILES Clc1ccccc1-c1nc2c([nH]1)c(=O)[nH]c1ccc(Br)cc21 Show InChI InChI=1S/C16H9BrClN3O/c17-8-5-6-12-10(7-8)13-14(16(22)19-12)21-15(20-13)9-3-1-2-4-11(9)18/h1-7H,(H,19,22)(H,20,21) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Dainippon Sumitomo Pharma. Co. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C9 in human liver microsomes after 10 mins by LC/MS/MS analysis |
Bioorg Med Chem 21: 2868-78 (2013)
Article DOI: 10.1016/j.bmc.2013.03.069
BindingDB Entry DOI: 10.7270/Q2JM2C1J |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50434681
(CHEMBL2387603)Show SMILES Clc1ccccc1-c1nc2c([nH]1)c(=O)[nH]c1cc(ccc21)-c1cccs1 Show InChI InChI=1S/C20H12ClN3OS/c21-14-5-2-1-4-12(14)19-23-17-13-8-7-11(16-6-3-9-26-16)10-15(13)22-20(25)18(17)24-19/h1-10H,(H,22,25)(H,23,24) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Dainippon Sumitomo Pharma. Co. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 in human liver microsomes after 10 mins by LC/MS/MS analysis |
Bioorg Med Chem 21: 2868-78 (2013)
Article DOI: 10.1016/j.bmc.2013.03.069
BindingDB Entry DOI: 10.7270/Q2JM2C1J |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50434682
(CHEMBL2387602)Show SMILES Clc1ccccc1-c1nc2c([nH]1)c(=O)[nH]c1cc(ccc21)-c1ccc2ccccc2c1 Show InChI InChI=1S/C26H16ClN3O/c27-21-8-4-3-7-19(21)25-29-23-20-12-11-18(14-22(20)28-26(31)24(23)30-25)17-10-9-15-5-1-2-6-16(15)13-17/h1-14H,(H,28,31)(H,29,30) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Dainippon Sumitomo Pharma. Co. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 in human liver microsomes after 10 mins by LC/MS/MS analysis |
Bioorg Med Chem 21: 2868-78 (2013)
Article DOI: 10.1016/j.bmc.2013.03.069
BindingDB Entry DOI: 10.7270/Q2JM2C1J |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50434687
(CHEMBL2387597)Show SMILES CCCCCc1ccc2c3nc([nH]c3c(=O)[nH]c2c1)-c1ccccc1Cl Show InChI InChI=1S/C21H20ClN3O/c1-2-3-4-7-13-10-11-15-17(12-13)23-21(26)19-18(15)24-20(25-19)14-8-5-6-9-16(14)22/h5-6,8-12H,2-4,7H2,1H3,(H,23,26)(H,24,25) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Dainippon Sumitomo Pharma. Co. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 in human liver microsomes after 10 mins by LC/MS/MS analysis |
Bioorg Med Chem 21: 2868-78 (2013)
Article DOI: 10.1016/j.bmc.2013.03.069
BindingDB Entry DOI: 10.7270/Q2JM2C1J |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50434671
(CHEMBL2387507)Show SMILES Fc1cccc(Cl)c1-c1nc2c([nH]1)c(=O)[nH]c1cc(ccc21)-c1ccccc1Cl Show InChI InChI=1S/C22H12Cl2FN3O/c23-14-5-2-1-4-12(14)11-8-9-13-17(10-11)26-22(29)20-19(13)27-21(28-20)18-15(24)6-3-7-16(18)25/h1-10H,(H,26,29)(H,27,28) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Dainippon Sumitomo Pharma. Co. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C19 in human liver microsomes after 10 mins by LC/MS/MS analysis |
Bioorg Med Chem 21: 2868-78 (2013)
Article DOI: 10.1016/j.bmc.2013.03.069
BindingDB Entry DOI: 10.7270/Q2JM2C1J |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50434682
(CHEMBL2387602)Show SMILES Clc1ccccc1-c1nc2c([nH]1)c(=O)[nH]c1cc(ccc21)-c1ccc2ccccc2c1 Show InChI InChI=1S/C26H16ClN3O/c27-21-8-4-3-7-19(21)25-29-23-20-12-11-18(14-22(20)28-26(31)24(23)30-25)17-10-9-15-5-1-2-6-16(15)13-17/h1-14H,(H,28,31)(H,29,30) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Dainippon Sumitomo Pharma. Co. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C19 in human liver microsomes after 10 mins by LC/MS/MS analysis |
Bioorg Med Chem 21: 2868-78 (2013)
Article DOI: 10.1016/j.bmc.2013.03.069
BindingDB Entry DOI: 10.7270/Q2JM2C1J |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50434688
(CHEMBL2387596)Show SMILES CCCCc1ccc2c3nc([nH]c3c(=O)[nH]c2c1)-c1ccccc1Cl Show InChI InChI=1S/C20H18ClN3O/c1-2-3-6-12-9-10-14-16(11-12)22-20(25)18-17(14)23-19(24-18)13-7-4-5-8-15(13)21/h4-5,7-11H,2-3,6H2,1H3,(H,22,25)(H,23,24) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Dainippon Sumitomo Pharma. Co. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C19 in human liver microsomes after 10 mins by LC/MS/MS analysis |
Bioorg Med Chem 21: 2868-78 (2013)
Article DOI: 10.1016/j.bmc.2013.03.069
BindingDB Entry DOI: 10.7270/Q2JM2C1J |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50434690
(CHEMBL2387594)Show SMILES CCc1ccc2c3nc([nH]c3c(=O)[nH]c2c1)-c1ccccc1Cl Show InChI InChI=1S/C18H14ClN3O/c1-2-10-7-8-12-14(9-10)20-18(23)16-15(12)21-17(22-16)11-5-3-4-6-13(11)19/h3-9H,2H2,1H3,(H,20,23)(H,21,22) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Dainippon Sumitomo Pharma. Co. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C19 in human liver microsomes after 10 mins by LC/MS/MS analysis |
Bioorg Med Chem 21: 2868-78 (2013)
Article DOI: 10.1016/j.bmc.2013.03.069
BindingDB Entry DOI: 10.7270/Q2JM2C1J |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50434672
(CHEMBL2387506)Show SMILES Cc1ccc(cc1)-c1ccc2c3nc([nH]c3c(=O)[nH]c2c1)-c1c(F)cccc1Cl Show InChI InChI=1S/C23H15ClFN3O/c1-12-5-7-13(8-6-12)14-9-10-15-18(11-14)26-23(29)21-20(15)27-22(28-21)19-16(24)3-2-4-17(19)25/h2-11H,1H3,(H,26,29)(H,27,28) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Dainippon Sumitomo Pharma. Co. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C9 in human liver microsomes after 10 mins by LC/MS/MS analysis |
Bioorg Med Chem 21: 2868-78 (2013)
Article DOI: 10.1016/j.bmc.2013.03.069
BindingDB Entry DOI: 10.7270/Q2JM2C1J |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50434682
(CHEMBL2387602)Show SMILES Clc1ccccc1-c1nc2c([nH]1)c(=O)[nH]c1cc(ccc21)-c1ccc2ccccc2c1 Show InChI InChI=1S/C26H16ClN3O/c27-21-8-4-3-7-19(21)25-29-23-20-12-11-18(14-22(20)28-26(31)24(23)30-25)17-10-9-15-5-1-2-6-16(15)13-17/h1-14H,(H,28,31)(H,29,30) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Dainippon Sumitomo Pharma. Co. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C9 in human liver microsomes after 10 mins by LC/MS/MS analysis |
Bioorg Med Chem 21: 2868-78 (2013)
Article DOI: 10.1016/j.bmc.2013.03.069
BindingDB Entry DOI: 10.7270/Q2JM2C1J |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50434686
(CHEMBL2387598)Show SMILES CCCCCCc1ccc2c3nc([nH]c3c(=O)[nH]c2c1)-c1ccccc1Cl Show InChI InChI=1S/C22H22ClN3O/c1-2-3-4-5-8-14-11-12-16-18(13-14)24-22(27)20-19(16)25-21(26-20)15-9-6-7-10-17(15)23/h6-7,9-13H,2-5,8H2,1H3,(H,24,27)(H,25,26) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Dainippon Sumitomo Pharma. Co. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C9 in human liver microsomes after 10 mins by LC/MS/MS analysis |
Bioorg Med Chem 21: 2868-78 (2013)
Article DOI: 10.1016/j.bmc.2013.03.069
BindingDB Entry DOI: 10.7270/Q2JM2C1J |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50434688
(CHEMBL2387596)Show SMILES CCCCc1ccc2c3nc([nH]c3c(=O)[nH]c2c1)-c1ccccc1Cl Show InChI InChI=1S/C20H18ClN3O/c1-2-3-6-12-9-10-14-16(11-12)22-20(25)18-17(14)23-19(24-18)13-7-4-5-8-15(13)21/h4-5,7-11H,2-3,6H2,1H3,(H,22,25)(H,23,24) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Dainippon Sumitomo Pharma. Co. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C9 in human liver microsomes after 10 mins by LC/MS/MS analysis |
Bioorg Med Chem 21: 2868-78 (2013)
Article DOI: 10.1016/j.bmc.2013.03.069
BindingDB Entry DOI: 10.7270/Q2JM2C1J |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50434669
(CHEMBL2387588)Show SMILES Fc1cccc(Cl)c1-c1nc2c([nH]1)c(=O)[nH]c1cc(ccc21)-c1ccc(Cl)cc1 Show InChI InChI=1S/C22H12Cl2FN3O/c23-13-7-4-11(5-8-13)12-6-9-14-17(10-12)26-22(29)20-19(14)27-21(28-20)18-15(24)2-1-3-16(18)25/h1-10H,(H,26,29)(H,27,28) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Dainippon Sumitomo Pharma. Co. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 in human liver microsomes after 10 mins by LC/MS/MS analysis |
Bioorg Med Chem 21: 2868-78 (2013)
Article DOI: 10.1016/j.bmc.2013.03.069
BindingDB Entry DOI: 10.7270/Q2JM2C1J |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50434670
(CHEMBL2387587)Show SMILES Fc1cccc(Cl)c1-c1nc2c([nH]1)c(=O)[nH]c1cc(ccc21)-c1cccc(Cl)c1 Show InChI InChI=1S/C22H12Cl2FN3O/c23-13-4-1-3-11(9-13)12-7-8-14-17(10-12)26-22(29)20-19(14)27-21(28-20)18-15(24)5-2-6-16(18)25/h1-10H,(H,26,29)(H,27,28) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Dainippon Sumitomo Pharma. Co. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 in human liver microsomes after 10 mins by LC/MS/MS analysis |
Bioorg Med Chem 21: 2868-78 (2013)
Article DOI: 10.1016/j.bmc.2013.03.069
BindingDB Entry DOI: 10.7270/Q2JM2C1J |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50434674
(CHEMBL2387504)Show SMILES Cc1ccccc1-c1ccc2c3nc([nH]c3c(=O)[nH]c2c1)-c1c(F)cccc1Cl Show InChI InChI=1S/C23H15ClFN3O/c1-12-5-2-3-6-14(12)13-9-10-15-18(11-13)26-23(29)21-20(15)27-22(28-21)19-16(24)7-4-8-17(19)25/h2-11H,1H3,(H,26,29)(H,27,28) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Dainippon Sumitomo Pharma. Co. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 in human liver microsomes after 10 mins by LC/MS/MS analysis |
Bioorg Med Chem 21: 2868-78 (2013)
Article DOI: 10.1016/j.bmc.2013.03.069
BindingDB Entry DOI: 10.7270/Q2JM2C1J |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50434668
(CHEMBL2387503)Show SMILES Fc1cccc(Cl)c1-c1nc2c([nH]1)c(=O)[nH]c1cc(ccc21)-c1ccccc1 Show InChI InChI=1S/C22H13ClFN3O/c23-15-7-4-8-16(24)18(15)21-26-19-14-10-9-13(12-5-2-1-3-6-12)11-17(14)25-22(28)20(19)27-21/h1-11H,(H,25,28)(H,26,27) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Dainippon Sumitomo Pharma. Co. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 in human liver microsomes after 10 mins by LC/MS/MS analysis |
Bioorg Med Chem 21: 2868-78 (2013)
Article DOI: 10.1016/j.bmc.2013.03.069
BindingDB Entry DOI: 10.7270/Q2JM2C1J |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50434679
(CHEMBL2387605)Show SMILES Clc1ccccc1-c1nc2c([nH]1)c(=O)[nH]c1cc(ccc21)-c1cccnc1 Show InChI InChI=1S/C21H13ClN4O/c22-16-6-2-1-5-14(16)20-25-18-15-8-7-12(13-4-3-9-23-11-13)10-17(15)24-21(27)19(18)26-20/h1-11H,(H,24,27)(H,25,26) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Dainippon Sumitomo Pharma. Co. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 in human liver microsomes after 10 mins by LC/MS/MS analysis |
Bioorg Med Chem 21: 2868-78 (2013)
Article DOI: 10.1016/j.bmc.2013.03.069
BindingDB Entry DOI: 10.7270/Q2JM2C1J |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50434690
(CHEMBL2387594)Show SMILES CCc1ccc2c3nc([nH]c3c(=O)[nH]c2c1)-c1ccccc1Cl Show InChI InChI=1S/C18H14ClN3O/c1-2-10-7-8-12-14(9-10)20-18(23)16-15(12)21-17(22-16)11-5-3-4-6-13(11)19/h3-9H,2H2,1H3,(H,20,23)(H,21,22) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Dainippon Sumitomo Pharma. Co. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 in human liver microsomes after 10 mins by LC/MS/MS analysis |
Bioorg Med Chem 21: 2868-78 (2013)
Article DOI: 10.1016/j.bmc.2013.03.069
BindingDB Entry DOI: 10.7270/Q2JM2C1J |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50434692
(CHEMBL2387592)Show SMILES Clc1ccc2[nH]c(=O)c3[nH]c(nc3c2c1)-c1ccccc1Cl Show InChI InChI=1S/C16H9Cl2N3O/c17-8-5-6-12-10(7-8)13-14(16(22)19-12)21-15(20-13)9-3-1-2-4-11(9)18/h1-7H,(H,19,22)(H,20,21) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Dainippon Sumitomo Pharma. Co. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 in human liver microsomes after 10 mins by LC/MS/MS analysis |
Bioorg Med Chem 21: 2868-78 (2013)
Article DOI: 10.1016/j.bmc.2013.03.069
BindingDB Entry DOI: 10.7270/Q2JM2C1J |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50434693
(CHEMBL2387591)Show SMILES Clc1ccccc1-c1nc2c([nH]1)c(=O)[nH]c1ccc(Br)cc21 Show InChI InChI=1S/C16H9BrClN3O/c17-8-5-6-12-10(7-8)13-14(16(22)19-12)21-15(20-13)9-3-1-2-4-11(9)18/h1-7H,(H,19,22)(H,20,21) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Dainippon Sumitomo Pharma. Co. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 in human liver microsomes after 10 mins by LC/MS/MS analysis |
Bioorg Med Chem 21: 2868-78 (2013)
Article DOI: 10.1016/j.bmc.2013.03.069
BindingDB Entry DOI: 10.7270/Q2JM2C1J |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50434672
(CHEMBL2387506)Show SMILES Cc1ccc(cc1)-c1ccc2c3nc([nH]c3c(=O)[nH]c2c1)-c1c(F)cccc1Cl Show InChI InChI=1S/C23H15ClFN3O/c1-12-5-7-13(8-6-12)14-9-10-15-18(11-14)26-23(29)21-20(15)27-22(28-21)19-16(24)3-2-4-17(19)25/h2-11H,1H3,(H,26,29)(H,27,28) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Dainippon Sumitomo Pharma. Co. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C19 in human liver microsomes after 10 mins by LC/MS/MS analysis |
Bioorg Med Chem 21: 2868-78 (2013)
Article DOI: 10.1016/j.bmc.2013.03.069
BindingDB Entry DOI: 10.7270/Q2JM2C1J |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50434674
(CHEMBL2387504)Show SMILES Cc1ccccc1-c1ccc2c3nc([nH]c3c(=O)[nH]c2c1)-c1c(F)cccc1Cl Show InChI InChI=1S/C23H15ClFN3O/c1-12-5-2-3-6-14(12)13-9-10-15-18(11-13)26-23(29)21-20(15)27-22(28-21)19-16(24)7-4-8-17(19)25/h2-11H,1H3,(H,26,29)(H,27,28) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Dainippon Sumitomo Pharma. Co. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C19 in human liver microsomes after 10 mins by LC/MS/MS analysis |
Bioorg Med Chem 21: 2868-78 (2013)
Article DOI: 10.1016/j.bmc.2013.03.069
BindingDB Entry DOI: 10.7270/Q2JM2C1J |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50434687
(CHEMBL2387597)Show SMILES CCCCCc1ccc2c3nc([nH]c3c(=O)[nH]c2c1)-c1ccccc1Cl Show InChI InChI=1S/C21H20ClN3O/c1-2-3-4-7-13-10-11-15-17(12-13)23-21(26)19-18(15)24-20(25-19)14-8-5-6-9-16(14)22/h5-6,8-12H,2-4,7H2,1H3,(H,23,26)(H,24,25) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Dainippon Sumitomo Pharma. Co. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C19 in human liver microsomes after 10 mins by LC/MS/MS analysis |
Bioorg Med Chem 21: 2868-78 (2013)
Article DOI: 10.1016/j.bmc.2013.03.069
BindingDB Entry DOI: 10.7270/Q2JM2C1J |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50434672
(CHEMBL2387506)Show SMILES Cc1ccc(cc1)-c1ccc2c3nc([nH]c3c(=O)[nH]c2c1)-c1c(F)cccc1Cl Show InChI InChI=1S/C23H15ClFN3O/c1-12-5-7-13(8-6-12)14-9-10-15-18(11-14)26-23(29)21-20(15)27-22(28-21)19-16(24)3-2-4-17(19)25/h2-11H,1H3,(H,26,29)(H,27,28) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Dainippon Sumitomo Pharma. Co. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 in human liver microsomes after 10 mins by LC/MS/MS analysis |
Bioorg Med Chem 21: 2868-78 (2013)
Article DOI: 10.1016/j.bmc.2013.03.069
BindingDB Entry DOI: 10.7270/Q2JM2C1J |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50434684
(CHEMBL2387600)Show SMILES Clc1ccccc1-c1nc2c([nH]1)c(=O)[nH]c1cc(Cc3ccccc3)ccc21 Show InChI InChI=1S/C23H16ClN3O/c24-18-9-5-4-8-16(18)22-26-20-17-11-10-15(12-14-6-2-1-3-7-14)13-19(17)25-23(28)21(20)27-22/h1-11,13H,12H2,(H,25,28)(H,26,27) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Dainippon Sumitomo Pharma. Co. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 in human liver microsomes after 10 mins by LC/MS/MS analysis |
Bioorg Med Chem 21: 2868-78 (2013)
Article DOI: 10.1016/j.bmc.2013.03.069
BindingDB Entry DOI: 10.7270/Q2JM2C1J |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50434685
(CHEMBL2387599)Show SMILES Clc1ccccc1-c1nc2c([nH]1)c(=O)[nH]c1cc(ccc21)-c1ccccc1 Show InChI InChI=1S/C22H14ClN3O/c23-17-9-5-4-8-15(17)21-25-19-16-11-10-14(13-6-2-1-3-7-13)12-18(16)24-22(27)20(19)26-21/h1-12H,(H,24,27)(H,25,26) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Dainippon Sumitomo Pharma. Co. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 in human liver microsomes after 10 mins by LC/MS/MS analysis |
Bioorg Med Chem 21: 2868-78 (2013)
Article DOI: 10.1016/j.bmc.2013.03.069
BindingDB Entry DOI: 10.7270/Q2JM2C1J |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50434691
(CHEMBL2387593)Show SMILES Cc1ccc2c3nc([nH]c3c(=O)[nH]c2c1)-c1ccccc1Cl Show InChI InChI=1S/C17H12ClN3O/c1-9-6-7-11-13(8-9)19-17(22)15-14(11)20-16(21-15)10-4-2-3-5-12(10)18/h2-8H,1H3,(H,19,22)(H,20,21) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Dainippon Sumitomo Pharma. Co. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 in human liver microsomes after 10 mins by LC/MS/MS analysis |
Bioorg Med Chem 21: 2868-78 (2013)
Article DOI: 10.1016/j.bmc.2013.03.069
BindingDB Entry DOI: 10.7270/Q2JM2C1J |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50360832
(CHEMBL1934810)Show SMILES Clc1ccccc1-c1nc2c([nH]1)c(=O)[nH]c1cc(Br)ccc21 Show InChI InChI=1S/C16H9BrClN3O/c17-8-5-6-10-12(7-8)19-16(22)14-13(10)20-15(21-14)9-3-1-2-4-11(9)18/h1-7H,(H,19,22)(H,20,21) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Dainippon Sumitomo Pharma. Co. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 in human liver microsomes after 10 mins by LC/MS/MS analysis |
Bioorg Med Chem 21: 2868-78 (2013)
Article DOI: 10.1016/j.bmc.2013.03.069
BindingDB Entry DOI: 10.7270/Q2JM2C1J |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50434670
(CHEMBL2387587)Show SMILES Fc1cccc(Cl)c1-c1nc2c([nH]1)c(=O)[nH]c1cc(ccc21)-c1cccc(Cl)c1 Show InChI InChI=1S/C22H12Cl2FN3O/c23-13-4-1-3-11(9-13)12-7-8-14-17(10-12)26-22(29)20-19(14)27-21(28-20)18-15(24)5-2-6-16(18)25/h1-10H,(H,26,29)(H,27,28) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Dainippon Sumitomo Pharma. Co. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C19 in human liver microsomes after 10 mins by LC/MS/MS analysis |
Bioorg Med Chem 21: 2868-78 (2013)
Article DOI: 10.1016/j.bmc.2013.03.069
BindingDB Entry DOI: 10.7270/Q2JM2C1J |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50434684
(CHEMBL2387600)Show SMILES Clc1ccccc1-c1nc2c([nH]1)c(=O)[nH]c1cc(Cc3ccccc3)ccc21 Show InChI InChI=1S/C23H16ClN3O/c24-18-9-5-4-8-16(18)22-26-20-17-11-10-15(12-14-6-2-1-3-7-14)13-19(17)25-23(28)21(20)27-22/h1-11,13H,12H2,(H,25,28)(H,26,27) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Dainippon Sumitomo Pharma. Co. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C19 in human liver microsomes after 10 mins by LC/MS/MS analysis |
Bioorg Med Chem 21: 2868-78 (2013)
Article DOI: 10.1016/j.bmc.2013.03.069
BindingDB Entry DOI: 10.7270/Q2JM2C1J |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50434695
(CHEMBL2387589)Show InChI InChI=1S/C16H10ClN3O/c17-11-7-3-1-5-9(11)15-19-13-10-6-2-4-8-12(10)18-16(21)14(13)20-15/h1-8H,(H,18,21)(H,19,20) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Dainippon Sumitomo Pharma. Co. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C9 in human liver microsomes after 10 mins by LC/MS/MS analysis |
Bioorg Med Chem 21: 2868-78 (2013)
Article DOI: 10.1016/j.bmc.2013.03.069
BindingDB Entry DOI: 10.7270/Q2JM2C1J |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50434671
(CHEMBL2387507)Show SMILES Fc1cccc(Cl)c1-c1nc2c([nH]1)c(=O)[nH]c1cc(ccc21)-c1ccccc1Cl Show InChI InChI=1S/C22H12Cl2FN3O/c23-14-5-2-1-4-12(14)11-8-9-13-17(10-11)26-22(29)20-19(13)27-21(28-20)18-15(24)6-3-7-16(18)25/h1-10H,(H,26,29)(H,27,28) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Dainippon Sumitomo Pharma. Co. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 in human liver microsomes after 10 mins by LC/MS/MS analysis |
Bioorg Med Chem 21: 2868-78 (2013)
Article DOI: 10.1016/j.bmc.2013.03.069
BindingDB Entry DOI: 10.7270/Q2JM2C1J |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50434678
(CHEMBL2387606)Show SMILES Clc1ccccc1-c1nc2c([nH]1)c(=O)[nH]c1cc(ccc21)-c1ccncc1 Show InChI InChI=1S/C21H13ClN4O/c22-16-4-2-1-3-14(16)20-25-18-15-6-5-13(12-7-9-23-10-8-12)11-17(15)24-21(27)19(18)26-20/h1-11H,(H,24,27)(H,25,26) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Dainippon Sumitomo Pharma. Co. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 in human liver microsomes after 10 mins by LC/MS/MS analysis |
Bioorg Med Chem 21: 2868-78 (2013)
Article DOI: 10.1016/j.bmc.2013.03.069
BindingDB Entry DOI: 10.7270/Q2JM2C1J |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50434669
(CHEMBL2387588)Show SMILES Fc1cccc(Cl)c1-c1nc2c([nH]1)c(=O)[nH]c1cc(ccc21)-c1ccc(Cl)cc1 Show InChI InChI=1S/C22H12Cl2FN3O/c23-13-7-4-11(5-8-13)12-6-9-14-17(10-12)26-22(29)20-19(14)27-21(28-20)18-15(24)2-1-3-16(18)25/h1-10H,(H,26,29)(H,27,28) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Dainippon Sumitomo Pharma. Co. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C19 in human liver microsomes after 10 mins by LC/MS/MS analysis |
Bioorg Med Chem 21: 2868-78 (2013)
Article DOI: 10.1016/j.bmc.2013.03.069
BindingDB Entry DOI: 10.7270/Q2JM2C1J |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50434673
(CHEMBL2387505)Show SMILES Cc1cccc(c1)-c1ccc2c3nc([nH]c3c(=O)[nH]c2c1)-c1c(F)cccc1Cl Show InChI InChI=1S/C23H15ClFN3O/c1-12-4-2-5-13(10-12)14-8-9-15-18(11-14)26-23(29)21-20(15)27-22(28-21)19-16(24)6-3-7-17(19)25/h2-11H,1H3,(H,26,29)(H,27,28) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Dainippon Sumitomo Pharma. Co. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C19 in human liver microsomes after 10 mins by LC/MS/MS analysis |
Bioorg Med Chem 21: 2868-78 (2013)
Article DOI: 10.1016/j.bmc.2013.03.069
BindingDB Entry DOI: 10.7270/Q2JM2C1J |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50434668
(CHEMBL2387503)Show SMILES Fc1cccc(Cl)c1-c1nc2c([nH]1)c(=O)[nH]c1cc(ccc21)-c1ccccc1 Show InChI InChI=1S/C22H13ClFN3O/c23-15-7-4-8-16(24)18(15)21-26-19-14-10-9-13(12-5-2-1-3-6-12)11-17(14)25-22(28)20(19)27-21/h1-11H,(H,25,28)(H,26,27) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Dainippon Sumitomo Pharma. Co. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C19 in human liver microsomes after 10 mins by LC/MS/MS analysis |
Bioorg Med Chem 21: 2868-78 (2013)
Article DOI: 10.1016/j.bmc.2013.03.069
BindingDB Entry DOI: 10.7270/Q2JM2C1J |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50434680
(CHEMBL2387604)Show SMILES Clc1ccccc1-c1nc2c([nH]1)c(=O)[nH]c1cc(ccc21)-c1ccco1 Show InChI InChI=1S/C20H12ClN3O2/c21-14-5-2-1-4-12(14)19-23-17-13-8-7-11(16-6-3-9-26-16)10-15(13)22-20(25)18(17)24-19/h1-10H,(H,22,25)(H,23,24) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Dainippon Sumitomo Pharma. Co. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C19 in human liver microsomes after 10 mins by LC/MS/MS analysis |
Bioorg Med Chem 21: 2868-78 (2013)
Article DOI: 10.1016/j.bmc.2013.03.069
BindingDB Entry DOI: 10.7270/Q2JM2C1J |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50434681
(CHEMBL2387603)Show SMILES Clc1ccccc1-c1nc2c([nH]1)c(=O)[nH]c1cc(ccc21)-c1cccs1 Show InChI InChI=1S/C20H12ClN3OS/c21-14-5-2-1-4-12(14)19-23-17-13-8-7-11(16-6-3-9-26-16)10-15(13)22-20(25)18(17)24-19/h1-10H,(H,22,25)(H,23,24) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Dainippon Sumitomo Pharma. Co. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C19 in human liver microsomes after 10 mins by LC/MS/MS analysis |
Bioorg Med Chem 21: 2868-78 (2013)
Article DOI: 10.1016/j.bmc.2013.03.069
BindingDB Entry DOI: 10.7270/Q2JM2C1J |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50434691
(CHEMBL2387593)Show SMILES Cc1ccc2c3nc([nH]c3c(=O)[nH]c2c1)-c1ccccc1Cl Show InChI InChI=1S/C17H12ClN3O/c1-9-6-7-11-13(8-9)19-17(22)15-14(11)20-16(21-15)10-4-2-3-5-12(10)18/h2-8H,1H3,(H,19,22)(H,20,21) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Dainippon Sumitomo Pharma. Co. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C19 in human liver microsomes after 10 mins by LC/MS/MS analysis |
Bioorg Med Chem 21: 2868-78 (2013)
Article DOI: 10.1016/j.bmc.2013.03.069
BindingDB Entry DOI: 10.7270/Q2JM2C1J |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50434694
(CHEMBL2387590)Show SMILES Clc1ccc2c3nc([nH]c3c(=O)[nH]c2c1)-c1ccccc1Cl Show InChI InChI=1S/C16H9Cl2N3O/c17-8-5-6-10-12(7-8)19-16(22)14-13(10)20-15(21-14)9-3-1-2-4-11(9)18/h1-7H,(H,19,22)(H,20,21) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Dainippon Sumitomo Pharma. Co. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C19 in human liver microsomes after 10 mins by LC/MS/MS analysis |
Bioorg Med Chem 21: 2868-78 (2013)
Article DOI: 10.1016/j.bmc.2013.03.069
BindingDB Entry DOI: 10.7270/Q2JM2C1J |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50434678
(CHEMBL2387606)Show SMILES Clc1ccccc1-c1nc2c([nH]1)c(=O)[nH]c1cc(ccc21)-c1ccncc1 Show InChI InChI=1S/C21H13ClN4O/c22-16-4-2-1-3-14(16)20-25-18-15-6-5-13(12-7-9-23-10-8-12)11-17(15)24-21(27)19(18)26-20/h1-11H,(H,24,27)(H,25,26) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Dainippon Sumitomo Pharma. Co. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C9 in human liver microsomes after 10 mins by LC/MS/MS analysis |
Bioorg Med Chem 21: 2868-78 (2013)
Article DOI: 10.1016/j.bmc.2013.03.069
BindingDB Entry DOI: 10.7270/Q2JM2C1J |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50434681
(CHEMBL2387603)Show SMILES Clc1ccccc1-c1nc2c([nH]1)c(=O)[nH]c1cc(ccc21)-c1cccs1 Show InChI InChI=1S/C20H12ClN3OS/c21-14-5-2-1-4-12(14)19-23-17-13-8-7-11(16-6-3-9-26-16)10-15(13)22-20(25)18(17)24-19/h1-10H,(H,22,25)(H,23,24) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Dainippon Sumitomo Pharma. Co. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C9 in human liver microsomes after 10 mins by LC/MS/MS analysis |
Bioorg Med Chem 21: 2868-78 (2013)
Article DOI: 10.1016/j.bmc.2013.03.069
BindingDB Entry DOI: 10.7270/Q2JM2C1J |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50434685
(CHEMBL2387599)Show SMILES Clc1ccccc1-c1nc2c([nH]1)c(=O)[nH]c1cc(ccc21)-c1ccccc1 Show InChI InChI=1S/C22H14ClN3O/c23-17-9-5-4-8-15(17)21-25-19-16-11-10-14(13-6-2-1-3-7-13)12-18(16)24-22(27)20(19)26-21/h1-12H,(H,24,27)(H,25,26) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Dainippon Sumitomo Pharma. Co. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C9 in human liver microsomes after 10 mins by LC/MS/MS analysis |
Bioorg Med Chem 21: 2868-78 (2013)
Article DOI: 10.1016/j.bmc.2013.03.069
BindingDB Entry DOI: 10.7270/Q2JM2C1J |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50434686
(CHEMBL2387598)Show SMILES CCCCCCc1ccc2c3nc([nH]c3c(=O)[nH]c2c1)-c1ccccc1Cl Show InChI InChI=1S/C22H22ClN3O/c1-2-3-4-5-8-14-11-12-16-18(13-14)24-22(27)20-19(16)25-21(26-20)15-9-6-7-10-17(15)23/h6-7,9-13H,2-5,8H2,1H3,(H,24,27)(H,25,26) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Dainippon Sumitomo Pharma. Co. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 in human liver microsomes after 10 mins by LC/MS/MS analysis |
Bioorg Med Chem 21: 2868-78 (2013)
Article DOI: 10.1016/j.bmc.2013.03.069
BindingDB Entry DOI: 10.7270/Q2JM2C1J |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50434677
(CHEMBL2387500)Show SMILES Cc1cccc(Cl)c1-c1nc2c([nH]1)c(=O)[nH]c1cc(ccc21)-c1ccccc1 Show InChI InChI=1S/C23H16ClN3O/c1-13-6-5-9-17(24)19(13)22-26-20-16-11-10-15(14-7-3-2-4-8-14)12-18(16)25-23(28)21(20)27-22/h2-12H,1H3,(H,25,28)(H,26,27) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Dainippon Sumitomo Pharma. Co. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C9 in human liver microsomes after 10 mins by LC/MS/MS analysis |
Bioorg Med Chem 21: 2868-78 (2013)
Article DOI: 10.1016/j.bmc.2013.03.069
BindingDB Entry DOI: 10.7270/Q2JM2C1J |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50434683
(CHEMBL2387601)Show SMILES Clc1ccccc1-c1nc2c([nH]1)c(=O)[nH]c1cc(CCc3ccccc3)ccc21 Show InChI InChI=1S/C24H18ClN3O/c25-19-9-5-4-8-17(19)23-27-21-18-13-12-16(11-10-15-6-2-1-3-7-15)14-20(18)26-24(29)22(21)28-23/h1-9,12-14H,10-11H2,(H,26,29)(H,27,28) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Dainippon Sumitomo Pharma. Co. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C9 in human liver microsomes after 10 mins by LC/MS/MS analysis |
Bioorg Med Chem 21: 2868-78 (2013)
Article DOI: 10.1016/j.bmc.2013.03.069
BindingDB Entry DOI: 10.7270/Q2JM2C1J |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50434694
(CHEMBL2387590)Show SMILES Clc1ccc2c3nc([nH]c3c(=O)[nH]c2c1)-c1ccccc1Cl Show InChI InChI=1S/C16H9Cl2N3O/c17-8-5-6-10-12(7-8)19-16(22)14-13(10)20-15(21-14)9-3-1-2-4-11(9)18/h1-7H,(H,19,22)(H,20,21) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Dainippon Sumitomo Pharma. Co. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C9 in human liver microsomes after 10 mins by LC/MS/MS analysis |
Bioorg Med Chem 21: 2868-78 (2013)
Article DOI: 10.1016/j.bmc.2013.03.069
BindingDB Entry DOI: 10.7270/Q2JM2C1J |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50434688
(CHEMBL2387596)Show SMILES CCCCc1ccc2c3nc([nH]c3c(=O)[nH]c2c1)-c1ccccc1Cl Show InChI InChI=1S/C20H18ClN3O/c1-2-3-6-12-9-10-14-16(11-12)22-20(25)18-17(14)23-19(24-18)13-7-4-5-8-15(13)21/h4-5,7-11H,2-3,6H2,1H3,(H,22,25)(H,23,24) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Dainippon Sumitomo Pharma. Co. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 in human liver microsomes after 10 mins by LC/MS/MS analysis |
Bioorg Med Chem 21: 2868-78 (2013)
Article DOI: 10.1016/j.bmc.2013.03.069
BindingDB Entry DOI: 10.7270/Q2JM2C1J |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50434695
(CHEMBL2387589)Show InChI InChI=1S/C16H10ClN3O/c17-11-7-3-1-5-9(11)15-19-13-10-6-2-4-8-12(10)18-16(21)14(13)20-15/h1-8H,(H,18,21)(H,19,20) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Dainippon Sumitomo Pharma. Co. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 in human liver microsomes after 10 mins by LC/MS/MS analysis |
Bioorg Med Chem 21: 2868-78 (2013)
Article DOI: 10.1016/j.bmc.2013.03.069
BindingDB Entry DOI: 10.7270/Q2JM2C1J |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50434678
(CHEMBL2387606)Show SMILES Clc1ccccc1-c1nc2c([nH]1)c(=O)[nH]c1cc(ccc21)-c1ccncc1 Show InChI InChI=1S/C21H13ClN4O/c22-16-4-2-1-3-14(16)20-25-18-15-6-5-13(12-7-9-23-10-8-12)11-17(15)24-21(27)19(18)26-20/h1-11H,(H,24,27)(H,25,26) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Dainippon Sumitomo Pharma. Co. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C19 in human liver microsomes after 10 mins by LC/MS/MS analysis |
Bioorg Med Chem 21: 2868-78 (2013)
Article DOI: 10.1016/j.bmc.2013.03.069
BindingDB Entry DOI: 10.7270/Q2JM2C1J |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50434683
(CHEMBL2387601)Show SMILES Clc1ccccc1-c1nc2c([nH]1)c(=O)[nH]c1cc(CCc3ccccc3)ccc21 Show InChI InChI=1S/C24H18ClN3O/c25-19-9-5-4-8-17(19)23-27-21-18-13-12-16(11-10-15-6-2-1-3-7-15)14-20(18)26-24(29)22(21)28-23/h1-9,12-14H,10-11H2,(H,26,29)(H,27,28) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Dainippon Sumitomo Pharma. Co. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C19 in human liver microsomes after 10 mins by LC/MS/MS analysis |
Bioorg Med Chem 21: 2868-78 (2013)
Article DOI: 10.1016/j.bmc.2013.03.069
BindingDB Entry DOI: 10.7270/Q2JM2C1J |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50434685
(CHEMBL2387599)Show SMILES Clc1ccccc1-c1nc2c([nH]1)c(=O)[nH]c1cc(ccc21)-c1ccccc1 Show InChI InChI=1S/C22H14ClN3O/c23-17-9-5-4-8-15(17)21-25-19-16-11-10-14(13-6-2-1-3-7-13)12-18(16)24-22(27)20(19)26-21/h1-12H,(H,24,27)(H,25,26) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Dainippon Sumitomo Pharma. Co. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C19 in human liver microsomes after 10 mins by LC/MS/MS analysis |
Bioorg Med Chem 21: 2868-78 (2013)
Article DOI: 10.1016/j.bmc.2013.03.069
BindingDB Entry DOI: 10.7270/Q2JM2C1J |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50434692
(CHEMBL2387592)Show SMILES Clc1ccc2[nH]c(=O)c3[nH]c(nc3c2c1)-c1ccccc1Cl Show InChI InChI=1S/C16H9Cl2N3O/c17-8-5-6-12-10(7-8)13-14(16(22)19-12)21-15(20-13)9-3-1-2-4-11(9)18/h1-7H,(H,19,22)(H,20,21) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Dainippon Sumitomo Pharma. Co. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C19 in human liver microsomes after 10 mins by LC/MS/MS analysis |
Bioorg Med Chem 21: 2868-78 (2013)
Article DOI: 10.1016/j.bmc.2013.03.069
BindingDB Entry DOI: 10.7270/Q2JM2C1J |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50434693
(CHEMBL2387591)Show SMILES Clc1ccccc1-c1nc2c([nH]1)c(=O)[nH]c1ccc(Br)cc21 Show InChI InChI=1S/C16H9BrClN3O/c17-8-5-6-12-10(7-8)13-14(16(22)19-12)21-15(20-13)9-3-1-2-4-11(9)18/h1-7H,(H,19,22)(H,20,21) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Dainippon Sumitomo Pharma. Co. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C19 in human liver microsomes after 10 mins by LC/MS/MS analysis |
Bioorg Med Chem 21: 2868-78 (2013)
Article DOI: 10.1016/j.bmc.2013.03.069
BindingDB Entry DOI: 10.7270/Q2JM2C1J |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50434695
(CHEMBL2387589)Show InChI InChI=1S/C16H10ClN3O/c17-11-7-3-1-5-9(11)15-19-13-10-6-2-4-8-12(10)18-16(21)14(13)20-15/h1-8H,(H,18,21)(H,19,20) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Dainippon Sumitomo Pharma. Co. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C19 in human liver microsomes after 10 mins by LC/MS/MS analysis |
Bioorg Med Chem 21: 2868-78 (2013)
Article DOI: 10.1016/j.bmc.2013.03.069
BindingDB Entry DOI: 10.7270/Q2JM2C1J |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50434669
(CHEMBL2387588)Show SMILES Fc1cccc(Cl)c1-c1nc2c([nH]1)c(=O)[nH]c1cc(ccc21)-c1ccc(Cl)cc1 Show InChI InChI=1S/C22H12Cl2FN3O/c23-13-7-4-11(5-8-13)12-6-9-14-17(10-12)26-22(29)20-19(14)27-21(28-20)18-15(24)2-1-3-16(18)25/h1-10H,(H,26,29)(H,27,28) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Dainippon Sumitomo Pharma. Co. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C9 in human liver microsomes after 10 mins by LC/MS/MS analysis |
Bioorg Med Chem 21: 2868-78 (2013)
Article DOI: 10.1016/j.bmc.2013.03.069
BindingDB Entry DOI: 10.7270/Q2JM2C1J |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50434687
(CHEMBL2387597)Show SMILES CCCCCc1ccc2c3nc([nH]c3c(=O)[nH]c2c1)-c1ccccc1Cl Show InChI InChI=1S/C21H20ClN3O/c1-2-3-4-7-13-10-11-15-17(12-13)23-21(26)19-18(15)24-20(25-19)14-8-5-6-9-16(14)22/h5-6,8-12H,2-4,7H2,1H3,(H,23,26)(H,24,25) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Dainippon Sumitomo Pharma. Co. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C9 in human liver microsomes after 10 mins by LC/MS/MS analysis |
Bioorg Med Chem 21: 2868-78 (2013)
Article DOI: 10.1016/j.bmc.2013.03.069
BindingDB Entry DOI: 10.7270/Q2JM2C1J |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50434676
(CHEMBL2387501)Show SMILES FC(F)(F)c1cccc(Cl)c1-c1nc2c([nH]1)c(=O)[nH]c1cc(ccc21)-c1ccccc1 Show InChI InChI=1S/C23H13ClF3N3O/c24-16-8-4-7-15(23(25,26)27)18(16)21-29-19-14-10-9-13(12-5-2-1-3-6-12)11-17(14)28-22(31)20(19)30-21/h1-11H,(H,28,31)(H,29,30) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Dainippon Sumitomo Pharma. Co. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 in human liver microsomes after 10 mins by LC/MS/MS analysis |
Bioorg Med Chem 21: 2868-78 (2013)
Article DOI: 10.1016/j.bmc.2013.03.069
BindingDB Entry DOI: 10.7270/Q2JM2C1J |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50434683
(CHEMBL2387601)Show SMILES Clc1ccccc1-c1nc2c([nH]1)c(=O)[nH]c1cc(CCc3ccccc3)ccc21 Show InChI InChI=1S/C24H18ClN3O/c25-19-9-5-4-8-17(19)23-27-21-18-13-12-16(11-10-15-6-2-1-3-7-15)14-20(18)26-24(29)22(21)28-23/h1-9,12-14H,10-11H2,(H,26,29)(H,27,28) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Dainippon Sumitomo Pharma. Co. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 in human liver microsomes after 10 mins by LC/MS/MS analysis |
Bioorg Med Chem 21: 2868-78 (2013)
Article DOI: 10.1016/j.bmc.2013.03.069
BindingDB Entry DOI: 10.7270/Q2JM2C1J |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50434675
(CHEMBL2387502)Show SMILES [O-][N+](=O)c1cccc(Cl)c1-c1nc2c([nH]1)c(=O)[nH]c1cc(ccc21)-c1ccccc1 Show InChI InChI=1S/C22H13ClN4O3/c23-15-7-4-8-17(27(29)30)18(15)21-25-19-14-10-9-13(12-5-2-1-3-6-12)11-16(14)24-22(28)20(19)26-21/h1-11H,(H,24,28)(H,25,26) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Dainippon Sumitomo Pharma. Co. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C19 in human liver microsomes after 10 mins by LC/MS/MS analysis |
Bioorg Med Chem 21: 2868-78 (2013)
Article DOI: 10.1016/j.bmc.2013.03.069
BindingDB Entry DOI: 10.7270/Q2JM2C1J |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50434670
(CHEMBL2387587)Show SMILES Fc1cccc(Cl)c1-c1nc2c([nH]1)c(=O)[nH]c1cc(ccc21)-c1cccc(Cl)c1 Show InChI InChI=1S/C22H12Cl2FN3O/c23-13-4-1-3-11(9-13)12-7-8-14-17(10-12)26-22(29)20-19(14)27-21(28-20)18-15(24)5-2-6-16(18)25/h1-10H,(H,26,29)(H,27,28) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Dainippon Sumitomo Pharma. Co. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C9 in human liver microsomes after 10 mins by LC/MS/MS analysis |
Bioorg Med Chem 21: 2868-78 (2013)
Article DOI: 10.1016/j.bmc.2013.03.069
BindingDB Entry DOI: 10.7270/Q2JM2C1J |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50434680
(CHEMBL2387604)Show SMILES Clc1ccccc1-c1nc2c([nH]1)c(=O)[nH]c1cc(ccc21)-c1ccco1 Show InChI InChI=1S/C20H12ClN3O2/c21-14-5-2-1-4-12(14)19-23-17-13-8-7-11(16-6-3-9-26-16)10-15(13)22-20(25)18(17)24-19/h1-10H,(H,22,25)(H,23,24) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Dainippon Sumitomo Pharma. Co. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C9 in human liver microsomes after 10 mins by LC/MS/MS analysis |
Bioorg Med Chem 21: 2868-78 (2013)
Article DOI: 10.1016/j.bmc.2013.03.069
BindingDB Entry DOI: 10.7270/Q2JM2C1J |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50434692
(CHEMBL2387592)Show SMILES Clc1ccc2[nH]c(=O)c3[nH]c(nc3c2c1)-c1ccccc1Cl Show InChI InChI=1S/C16H9Cl2N3O/c17-8-5-6-12-10(7-8)13-14(16(22)19-12)21-15(20-13)9-3-1-2-4-11(9)18/h1-7H,(H,19,22)(H,20,21) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Dainippon Sumitomo Pharma. Co. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C9 in human liver microsomes after 10 mins by LC/MS/MS analysis |
Bioorg Med Chem 21: 2868-78 (2013)
Article DOI: 10.1016/j.bmc.2013.03.069
BindingDB Entry DOI: 10.7270/Q2JM2C1J |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50434675
(CHEMBL2387502)Show SMILES [O-][N+](=O)c1cccc(Cl)c1-c1nc2c([nH]1)c(=O)[nH]c1cc(ccc21)-c1ccccc1 Show InChI InChI=1S/C22H13ClN4O3/c23-15-7-4-8-17(27(29)30)18(15)21-25-19-14-10-9-13(12-5-2-1-3-6-12)11-16(14)24-22(28)20(19)26-21/h1-11H,(H,24,28)(H,25,26) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Dainippon Sumitomo Pharma. Co. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 in human liver microsomes after 10 mins by LC/MS/MS analysis |
Bioorg Med Chem 21: 2868-78 (2013)
Article DOI: 10.1016/j.bmc.2013.03.069
BindingDB Entry DOI: 10.7270/Q2JM2C1J |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50434677
(CHEMBL2387500)Show SMILES Cc1cccc(Cl)c1-c1nc2c([nH]1)c(=O)[nH]c1cc(ccc21)-c1ccccc1 Show InChI InChI=1S/C23H16ClN3O/c1-13-6-5-9-17(24)19(13)22-26-20-16-11-10-15(14-7-3-2-4-8-14)12-18(16)25-23(28)21(20)27-22/h2-12H,1H3,(H,25,28)(H,26,27) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Dainippon Sumitomo Pharma. Co. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 in human liver microsomes after 10 mins by LC/MS/MS analysis |
Bioorg Med Chem 21: 2868-78 (2013)
Article DOI: 10.1016/j.bmc.2013.03.069
BindingDB Entry DOI: 10.7270/Q2JM2C1J |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50434680
(CHEMBL2387604)Show SMILES Clc1ccccc1-c1nc2c([nH]1)c(=O)[nH]c1cc(ccc21)-c1ccco1 Show InChI InChI=1S/C20H12ClN3O2/c21-14-5-2-1-4-12(14)19-23-17-13-8-7-11(16-6-3-9-26-16)10-15(13)22-20(25)18(17)24-19/h1-10H,(H,22,25)(H,23,24) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Dainippon Sumitomo Pharma. Co. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 in human liver microsomes after 10 mins by LC/MS/MS analysis |
Bioorg Med Chem 21: 2868-78 (2013)
Article DOI: 10.1016/j.bmc.2013.03.069
BindingDB Entry DOI: 10.7270/Q2JM2C1J |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50434689
(CHEMBL2387595)Show SMILES CCCc1ccc2c3nc([nH]c3c(=O)[nH]c2c1)-c1ccccc1Cl Show InChI InChI=1S/C19H16ClN3O/c1-2-5-11-8-9-13-15(10-11)21-19(24)17-16(13)22-18(23-17)12-6-3-4-7-14(12)20/h3-4,6-10H,2,5H2,1H3,(H,21,24)(H,22,23) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Dainippon Sumitomo Pharma. Co. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 in human liver microsomes after 10 mins by LC/MS/MS analysis |
Bioorg Med Chem 21: 2868-78 (2013)
Article DOI: 10.1016/j.bmc.2013.03.069
BindingDB Entry DOI: 10.7270/Q2JM2C1J |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50434694
(CHEMBL2387590)Show SMILES Clc1ccc2c3nc([nH]c3c(=O)[nH]c2c1)-c1ccccc1Cl Show InChI InChI=1S/C16H9Cl2N3O/c17-8-5-6-10-12(7-8)19-16(22)14-13(10)20-15(21-14)9-3-1-2-4-11(9)18/h1-7H,(H,19,22)(H,20,21) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Dainippon Sumitomo Pharma. Co. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 in human liver microsomes after 10 mins by LC/MS/MS analysis |
Bioorg Med Chem 21: 2868-78 (2013)
Article DOI: 10.1016/j.bmc.2013.03.069
BindingDB Entry DOI: 10.7270/Q2JM2C1J |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50434677
(CHEMBL2387500)Show SMILES Cc1cccc(Cl)c1-c1nc2c([nH]1)c(=O)[nH]c1cc(ccc21)-c1ccccc1 Show InChI InChI=1S/C23H16ClN3O/c1-13-6-5-9-17(24)19(13)22-26-20-16-11-10-15(14-7-3-2-4-8-14)12-18(16)25-23(28)21(20)27-22/h2-12H,1H3,(H,25,28)(H,26,27) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Dainippon Sumitomo Pharma. Co. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C19 in human liver microsomes after 10 mins by LC/MS/MS analysis |
Bioorg Med Chem 21: 2868-78 (2013)
Article DOI: 10.1016/j.bmc.2013.03.069
BindingDB Entry DOI: 10.7270/Q2JM2C1J |
More data for this
Ligand-Target Pair | |
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