Found 25 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 |
|---|
Aldo-keto reductase family 1 member C3
(Homo sapiens (Human)) | BDBM50438582
(CHEMBL2413849)Show SMILES Cc1ccc2[nH]c(cc2c1)C(=O)N1CCC(CC(C)(C)O)CC1 Show InChI InChI=1S/C19H26N2O2/c1-13-4-5-16-15(10-13)11-17(20-16)18(22)21-8-6-14(7-9-21)12-19(2,3)23/h4-5,10-11,14,20,23H,6-9,12H2,1-3H3 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.340 | n/a | n/a | n/a | n/a | n/a | n/a |
Astellas Pharma Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human 17beta-HSD5 expressed in HEK293 cells using androstenedione as substrate assessed as testosterone synthesis after 4 hrs |
Bioorg Med Chem 21: 5261-70 (2013)
Article DOI: 10.1016/j.bmc.2013.06.025
BindingDB Entry DOI: 10.7270/Q2GF0VXW |
More data for this
Ligand-Target Pair | |
Aldo-keto reductase family 1 member C3
(Homo sapiens (Human)) | BDBM50438582
(CHEMBL2413849)Show SMILES Cc1ccc2[nH]c(cc2c1)C(=O)N1CCC(CC(C)(C)O)CC1 Show InChI InChI=1S/C19H26N2O2/c1-13-4-5-16-15(10-13)11-17(20-16)18(22)21-8-6-14(7-9-21)12-19(2,3)23/h4-5,10-11,14,20,23H,6-9,12H2,1-3H3 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Astellas Pharma Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human 17beta-HSD5 expressed in human CWR22R cells using androstenedione as substrate assessed as testosterone synthesis after 4 hrs |
Bioorg Med Chem 21: 5261-70 (2013)
Article DOI: 10.1016/j.bmc.2013.06.025
BindingDB Entry DOI: 10.7270/Q2GF0VXW |
More data for this
Ligand-Target Pair | |
Aldo-keto reductase family 1 member C3
(Homo sapiens (Human)) | BDBM50438585
(CHEMBL2413850)Show InChI InChI=1S/C18H24N2O2/c1-18(2,22)12-13-7-9-20(10-8-13)17(21)16-11-14-5-3-4-6-15(14)19-16/h3-6,11,13,19,22H,7-10,12H2,1-2H3 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Astellas Pharma Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human 17beta-HSD5 expressed in HEK293 cells using androstenedione as substrate assessed as testosterone synthesis after 4 hrs |
Bioorg Med Chem 21: 5261-70 (2013)
Article DOI: 10.1016/j.bmc.2013.06.025
BindingDB Entry DOI: 10.7270/Q2GF0VXW |
More data for this
Ligand-Target Pair | |
Aldo-keto reductase family 1 member C3
(Homo sapiens (Human)) | BDBM50438594
(CHEMBL2413860)Show InChI InChI=1S/C16H20N2O2/c19-10-7-12-5-8-18(9-6-12)16(20)15-11-13-3-1-2-4-14(13)17-15/h1-4,11-12,17,19H,5-10H2 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
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 |
Astellas Pharma Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human 17beta-HSD5 expressed in HEK293 cells using androstenedione as substrate assessed as testosterone synthesis after 4 hrs |
Bioorg Med Chem 21: 5261-70 (2013)
Article DOI: 10.1016/j.bmc.2013.06.025
BindingDB Entry DOI: 10.7270/Q2GF0VXW |
More data for this
Ligand-Target Pair | |
Aldo-keto reductase family 1 member C3
(Homo sapiens (Human)) | BDBM50438586
(CHEMBL2413851)Show InChI InChI=1S/C17H22N2O2/c1-12(20)10-13-6-8-19(9-7-13)17(21)16-11-14-4-2-3-5-15(14)18-16/h2-5,11-13,18,20H,6-10H2,1H3 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
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 |
Astellas Pharma Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human 17beta-HSD5 expressed in HEK293 cells using androstenedione as substrate assessed as testosterone synthesis after 4 hrs |
Bioorg Med Chem 21: 5261-70 (2013)
Article DOI: 10.1016/j.bmc.2013.06.025
BindingDB Entry DOI: 10.7270/Q2GF0VXW |
More data for this
Ligand-Target Pair | |
Aldo-keto reductase family 1 member C3
(Homo sapiens (Human)) | BDBM50438587
(CHEMBL2413852)Show InChI InChI=1S/C17H20N2O2/c1-12(20)10-13-6-8-19(9-7-13)17(21)16-11-14-4-2-3-5-15(14)18-16/h2-5,11,13,18H,6-10H2,1H3 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Astellas Pharma Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human 17beta-HSD5 expressed in HEK293 cells using androstenedione as substrate assessed as testosterone synthesis after 4 hrs |
Bioorg Med Chem 21: 5261-70 (2013)
Article DOI: 10.1016/j.bmc.2013.06.025
BindingDB Entry DOI: 10.7270/Q2GF0VXW |
More data for this
Ligand-Target Pair | |
Aldo-keto reductase family 1 member C3
(Homo sapiens (Human)) | BDBM50438582
(CHEMBL2413849)Show SMILES Cc1ccc2[nH]c(cc2c1)C(=O)N1CCC(CC(C)(C)O)CC1 Show InChI InChI=1S/C19H26N2O2/c1-13-4-5-16-15(10-13)11-17(20-16)18(22)21-8-6-14(7-9-21)12-19(2,3)23/h4-5,10-11,14,20,23H,6-9,12H2,1-3H3 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 24 | n/a | n/a | n/a | n/a | n/a | n/a |
Astellas Pharma Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human AKR1C3-mediated 9,10-phenanthrenequinone reduction after 10 to 20 mins by spectrophotometry in presence of NADPH |
Bioorg Med Chem 21: 5261-70 (2013)
Article DOI: 10.1016/j.bmc.2013.06.025
BindingDB Entry DOI: 10.7270/Q2GF0VXW |
More data for this
Ligand-Target Pair | |
Aldo-keto reductase family 1 member C3
(Homo sapiens (Human)) | BDBM50438588
(CHEMBL2413853)Show InChI InChI=1S/C17H22N2O2/c1-21-11-8-13-6-9-19(10-7-13)17(20)16-12-14-4-2-3-5-15(14)18-16/h2-5,12-13,18H,6-11H2,1H3 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
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 |
Astellas Pharma Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human 17beta-HSD5 expressed in HEK293 cells using androstenedione as substrate assessed as testosterone synthesis after 4 hrs |
Bioorg Med Chem 21: 5261-70 (2013)
Article DOI: 10.1016/j.bmc.2013.06.025
BindingDB Entry DOI: 10.7270/Q2GF0VXW |
More data for this
Ligand-Target Pair | |
Aldo-keto reductase family 1 member C3
(Homo sapiens (Human)) | BDBM50438583
(CHEMBL2413863)Show InChI InChI=1S/C17H22N2O2/c1-12-2-3-15-14(10-12)11-16(18-15)17(21)19-7-4-13(5-8-19)6-9-20/h2-3,10-11,13,18,20H,4-9H2,1H3 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| n/a | n/a | 37 | n/a | n/a | n/a | n/a | n/a | n/a |
Astellas Pharma Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human 17beta-HSD5 expressed in HEK293 cells using androstenedione as substrate assessed as testosterone synthesis after 4 hrs |
Bioorg Med Chem 21: 5261-70 (2013)
Article DOI: 10.1016/j.bmc.2013.06.025
BindingDB Entry DOI: 10.7270/Q2GF0VXW |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Aldo-keto reductase family 1 member C3
(Homo sapiens (Human)) | BDBM50438583
(CHEMBL2413863)Show InChI InChI=1S/C17H22N2O2/c1-12-2-3-15-14(10-12)11-16(18-15)17(21)19-7-4-13(5-8-19)6-9-20/h2-3,10-11,13,18,20H,4-9H2,1H3 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| n/a | n/a | 58 | n/a | n/a | n/a | n/a | n/a | n/a |
Astellas Pharma Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human 17beta-HSD5 expressed in human CWR22R cells using androstenedione as substrate assessed as testosterone synthesis after 4 hrs |
Bioorg Med Chem 21: 5261-70 (2013)
Article DOI: 10.1016/j.bmc.2013.06.025
BindingDB Entry DOI: 10.7270/Q2GF0VXW |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Aldo-keto reductase family 1 member C3
(Homo sapiens (Human)) | BDBM50438590
(CHEMBL2413855)Show InChI InChI=1S/C14H16N2O2/c17-6-5-10-8-16(9-10)14(18)13-7-11-3-1-2-4-12(11)15-13/h1-4,7,10,15,17H,5-6,8-9H2 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 140 | n/a | n/a | n/a | n/a | n/a | n/a |
Astellas Pharma Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human 17beta-HSD5 expressed in HEK293 cells using androstenedione as substrate assessed as testosterone synthesis after 4 hrs |
Bioorg Med Chem 21: 5261-70 (2013)
Article DOI: 10.1016/j.bmc.2013.06.025
BindingDB Entry DOI: 10.7270/Q2GF0VXW |
More data for this
Ligand-Target Pair | |
Aldo-keto reductase family 1 member C3
(Homo sapiens (Human)) | BDBM50438596
(CHEMBL2413861)Show InChI InChI=1S/C18H24N2O2/c1-13-4-5-16-15(11-13)12-17(19-16)18(22)20-8-6-14(7-9-20)3-2-10-21/h4-5,11-12,14,19,21H,2-3,6-10H2,1H3 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 160 | n/a | n/a | n/a | n/a | n/a | n/a |
Astellas Pharma Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human 17beta-HSD5 expressed in HEK293 cells using androstenedione as substrate assessed as testosterone synthesis after 4 hrs |
Bioorg Med Chem 21: 5261-70 (2013)
Article DOI: 10.1016/j.bmc.2013.06.025
BindingDB Entry DOI: 10.7270/Q2GF0VXW |
More data for this
Ligand-Target Pair | |
Aldo-keto reductase family 1 member C3
(Homo sapiens (Human)) | BDBM50438592
(CHEMBL2413857)Show InChI InChI=1S/C16H20N2O2/c19-10-8-13-6-3-4-9-18(13)16(20)15-11-12-5-1-2-7-14(12)17-15/h1-2,5,7,11,13,17,19H,3-4,6,8-10H2 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 230 | n/a | n/a | n/a | n/a | n/a | n/a |
Astellas Pharma Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human 17beta-HSD5 expressed in HEK293 cells using androstenedione as substrate assessed as testosterone synthesis after 4 hrs |
Bioorg Med Chem 21: 5261-70 (2013)
Article DOI: 10.1016/j.bmc.2013.06.025
BindingDB Entry DOI: 10.7270/Q2GF0VXW |
More data for this
Ligand-Target Pair | |
Aldo-keto reductase family 1 member C3
(Homo sapiens (Human)) | BDBM50438595
(CHEMBL2413859)Show InChI InChI=1S/C16H21N3O2/c1-12-2-3-14-13(10-12)11-15(17-14)16(21)19-6-4-18(5-7-19)8-9-20/h2-3,10-11,17,20H,4-9H2,1H3 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 770 | n/a | n/a | n/a | n/a | n/a | n/a |
Astellas Pharma Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human 17beta-HSD5 expressed in HEK293 cells using androstenedione as substrate assessed as testosterone synthesis after 4 hrs |
Bioorg Med Chem 21: 5261-70 (2013)
Article DOI: 10.1016/j.bmc.2013.06.025
BindingDB Entry DOI: 10.7270/Q2GF0VXW |
More data for this
Ligand-Target Pair | |
Aldo-keto reductase family 1 member C3
(Homo sapiens (Human)) | BDBM50438597
(CHEMBL2413864)Show InChI InChI=1S/C16H20N2O2/c1-11-2-3-14-13(8-11)9-15(17-14)16(20)18-6-4-12(10-19)5-7-18/h2-3,8-9,12,17,19H,4-7,10H2,1H3 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 790 | n/a | n/a | n/a | n/a | n/a | n/a |
Astellas Pharma Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human 17beta-HSD5 expressed in HEK293 cells using androstenedione as substrate assessed as testosterone synthesis after 4 hrs |
Bioorg Med Chem 21: 5261-70 (2013)
Article DOI: 10.1016/j.bmc.2013.06.025
BindingDB Entry DOI: 10.7270/Q2GF0VXW |
More data for this
Ligand-Target Pair | |
Aldo-keto reductase family 1 member C3
(Homo sapiens (Human)) | BDBM50438591
(CHEMBL2413856)Show InChI InChI=1S/C15H18N2O2/c18-8-6-11-5-7-17(10-11)15(19)14-9-12-3-1-2-4-13(12)16-14/h1-4,9,11,16,18H,5-8,10H2 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Astellas Pharma Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human 17beta-HSD5 expressed in HEK293 cells using androstenedione as substrate assessed as testosterone synthesis after 4 hrs |
Bioorg Med Chem 21: 5261-70 (2013)
Article DOI: 10.1016/j.bmc.2013.06.025
BindingDB Entry DOI: 10.7270/Q2GF0VXW |
More data for this
Ligand-Target Pair | |
Aldo-keto reductase family 1 member C3
(Homo sapiens (Human)) | BDBM50438589
(CHEMBL2413854)Show InChI InChI=1S/C14H18N2O2/c17-9-5-1-4-8-15-14(18)13-10-11-6-2-3-7-12(11)16-13/h2-3,6-7,10,16-17H,1,4-5,8-9H2,(H,15,18) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Astellas Pharma Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human 17beta-HSD5 expressed in HEK293 cells using androstenedione as substrate assessed as testosterone synthesis after 4 hrs |
Bioorg Med Chem 21: 5261-70 (2013)
Article DOI: 10.1016/j.bmc.2013.06.025
BindingDB Entry DOI: 10.7270/Q2GF0VXW |
More data for this
Ligand-Target Pair | |
Aldo-keto reductase family 1 member C3
(Homo sapiens (Human)) | BDBM50438593
(CHEMBL2413858)Show InChI InChI=1S/C16H20N2O2/c19-9-7-12-4-3-8-18(11-12)16(20)15-10-13-5-1-2-6-14(13)17-15/h1-2,5-6,10,12,17,19H,3-4,7-9,11H2 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Astellas Pharma Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human 17beta-HSD5 expressed in HEK293 cells using androstenedione as substrate assessed as testosterone synthesis after 4 hrs |
Bioorg Med Chem 21: 5261-70 (2013)
Article DOI: 10.1016/j.bmc.2013.06.025
BindingDB Entry DOI: 10.7270/Q2GF0VXW |
More data for this
Ligand-Target Pair | |
Aldo-keto reductase family 1 member C3
(Homo sapiens (Human)) | BDBM50438598
(CHEMBL2413862)Show InChI InChI=1S/C15H16N2O/c1-11-5-6-13-12(9-11)10-14(16-13)15(18)17-7-3-2-4-8-17/h2-3,5-6,9-10,16H,4,7-8H2,1H3 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
| PDB
Article
PubMed
| n/a | n/a | 2.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Astellas Pharma Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human 17beta-HSD5 expressed in HEK293 cells using androstenedione as substrate assessed as testosterone synthesis after 4 hrs |
Bioorg Med Chem 21: 5261-70 (2013)
Article DOI: 10.1016/j.bmc.2013.06.025
BindingDB Entry DOI: 10.7270/Q2GF0VXW |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Aldo-keto reductase family 1 member C3
(Homo sapiens (Human)) | BDBM50438584
(CHEMBL2413848)Show InChI InChI=1S/C17H20N2O3/c1-11-2-3-14-13(8-11)10-15(18-14)17(22)19-6-4-12(5-7-19)9-16(20)21/h2-3,8,10,12,18H,4-7,9H2,1H3,(H,20,21) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Astellas Pharma Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human 17beta-HSD5 expressed in HEK293 cells using androstenedione as substrate assessed as testosterone synthesis after 4 hrs |
Bioorg Med Chem 21: 5261-70 (2013)
Article DOI: 10.1016/j.bmc.2013.06.025
BindingDB Entry DOI: 10.7270/Q2GF0VXW |
More data for this
Ligand-Target Pair | |
Aldo-keto reductase family 1 member C2
(Homo sapiens (Human)) | BDBM50438582
(CHEMBL2413849)Show SMILES Cc1ccc2[nH]c(cc2c1)C(=O)N1CCC(CC(C)(C)O)CC1 Show InChI InChI=1S/C19H26N2O2/c1-13-4-5-16-15(10-13)11-17(20-16)18(22)21-8-6-14(7-9-21)12-19(2,3)23/h4-5,10-11,14,20,23H,6-9,12H2,1-3H3 | 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 |
Astellas Pharma Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human AKR1C2-mediated 9,10-phenanthrenequinone reduction after 10 to 20 mins by spectrophotometry in presence of NADPH |
Bioorg Med Chem 21: 5261-70 (2013)
Article DOI: 10.1016/j.bmc.2013.06.025
BindingDB Entry DOI: 10.7270/Q2GF0VXW |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50438582
(CHEMBL2413849)Show SMILES Cc1ccc2[nH]c(cc2c1)C(=O)N1CCC(CC(C)(C)O)CC1 Show InChI InChI=1S/C19H26N2O2/c1-13-4-5-16-15(10-13)11-17(20-16)18(22)21-8-6-14(7-9-21)12-19(2,3)23/h4-5,10-11,14,20,23H,6-9,12H2,1-3H3 | 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 |
Astellas Pharma Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C9 (unknown origin) |
Bioorg Med Chem 21: 5261-70 (2013)
Article DOI: 10.1016/j.bmc.2013.06.025
BindingDB Entry DOI: 10.7270/Q2GF0VXW |
More data for this
Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50438582
(CHEMBL2413849)Show SMILES Cc1ccc2[nH]c(cc2c1)C(=O)N1CCC(CC(C)(C)O)CC1 Show InChI InChI=1S/C19H26N2O2/c1-13-4-5-16-15(10-13)11-17(20-16)18(22)21-8-6-14(7-9-21)12-19(2,3)23/h4-5,10-11,14,20,23H,6-9,12H2,1-3H3 | 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 |
Astellas Pharma Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CYP1A2 (unknown origin) |
Bioorg Med Chem 21: 5261-70 (2013)
Article DOI: 10.1016/j.bmc.2013.06.025
BindingDB Entry DOI: 10.7270/Q2GF0VXW |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50438582
(CHEMBL2413849)Show SMILES Cc1ccc2[nH]c(cc2c1)C(=O)N1CCC(CC(C)(C)O)CC1 Show InChI InChI=1S/C19H26N2O2/c1-13-4-5-16-15(10-13)11-17(20-16)18(22)21-8-6-14(7-9-21)12-19(2,3)23/h4-5,10-11,14,20,23H,6-9,12H2,1-3H3 | PDB
UniProtKB/SwissProt
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 |
Astellas Pharma Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 (unknown origin) |
Bioorg Med Chem 21: 5261-70 (2013)
Article DOI: 10.1016/j.bmc.2013.06.025
BindingDB Entry DOI: 10.7270/Q2GF0VXW |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50438582
(CHEMBL2413849)Show SMILES Cc1ccc2[nH]c(cc2c1)C(=O)N1CCC(CC(C)(C)O)CC1 Show InChI InChI=1S/C19H26N2O2/c1-13-4-5-16-15(10-13)11-17(20-16)18(22)21-8-6-14(7-9-21)12-19(2,3)23/h4-5,10-11,14,20,23H,6-9,12H2,1-3H3 | 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 |
Astellas Pharma Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C19 (unknown origin) |
Bioorg Med Chem 21: 5261-70 (2013)
Article DOI: 10.1016/j.bmc.2013.06.025
BindingDB Entry DOI: 10.7270/Q2GF0VXW |
More data for this
Ligand-Target Pair | |
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