Found 44 hits with Last Name = 'mclaughlin' and Initial = 'r' 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 |
|---|
Enoyl-[acyl-carrier-protein] reductase [NADH]
(Mycobacterium tuberculosis (strain ATCC 25618 / H3...) | BDBM50370232
(BA-41166E | L-5103 | RIFAMPIN | Rifadin | Rifampic...)Show SMILES CO[C@H]1\C=C\O[C@@]2(C)Oc3c(C2=O)c2c(O)c(\C=N\N4CCN(C)CC4)c(NC(=O)\C(C)=C/C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)c(O)c2c(O)c3C |r,c:33,t:3,35| Show InChI InChI=1S/C43H58N4O12/c1-21-12-11-13-22(2)42(55)45-33-28(20-44-47-17-15-46(9)16-18-47)37(52)30-31(38(33)53)36(51)26(6)40-32(30)41(54)43(8,59-40)57-19-14-29(56-10)23(3)39(58-27(7)48)25(5)35(50)24(4)34(21)49/h11-14,19-21,23-25,29,34-35,39,49-53H,15-18H2,1-10H3,(H,45,55)/b12-11+,19-14+,22-13-,44-20+/t21-,23+,24+,25+,29-,34-,35+,39+,43-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet 
| Purchase
DrugBank
MCE
KEGG
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of Mycobacterium tuberculosis InhA using NADH and dodecyl coA substrate by LC-MS/MS method |
J Med Chem 57: 6572-82 (2014)
Article DOI: 10.1021/jm500833f
BindingDB Entry DOI: 10.7270/Q23J3FMN |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50019659
(CHEMBL3291430)Show SMILES COc1cnc2c(cn(Cc3ncnc(N(C)C)c3C)c2c1)C(=O)NCCO Show InChI InChI=1S/C19H24N6O3/c1-12-15(22-11-23-18(12)24(2)3)10-25-9-14(19(27)20-5-6-26)17-16(25)7-13(28-4)8-21-17/h7-9,11,26H,5-6,10H2,1-4H3,(H,20,27) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >3.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human ERG |
J Med Chem 57: 5728-37 (2014)
Article DOI: 10.1021/jm500571f
BindingDB Entry DOI: 10.7270/Q2NS0WHX |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50019658
(CHEMBL3291427)Show InChI InChI=1S/C18H21N5O4/c1-11-14(21-10-22-18(11)27-3)9-23-8-13(17(25)19-4-5-24)16-15(23)6-12(26-2)7-20-16/h6-8,10,24H,4-5,9H2,1-3H3,(H,19,25) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >3.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human ERG |
J Med Chem 57: 5728-37 (2014)
Article DOI: 10.1021/jm500571f
BindingDB Entry DOI: 10.7270/Q2NS0WHX |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50019657
(CHEMBL3291424)Show SMILES Cc1cnc2c(cn(Cc3ncnc(OC(F)F)c3C)c2c1)C(=O)NCCO Show InChI InChI=1S/C18H19F2N5O3/c1-10-5-14-15(22-6-10)12(16(27)21-3-4-26)7-25(14)8-13-11(2)17(24-9-23-13)28-18(19)20/h5-7,9,18,26H,3-4,8H2,1-2H3,(H,21,27) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >3.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human ERG |
J Med Chem 57: 5728-37 (2014)
Article DOI: 10.1021/jm500571f
BindingDB Entry DOI: 10.7270/Q2NS0WHX |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50019656
(CHEMBL3291423)Show SMILES CN(C)c1ncnc(Cn2cc(C(=O)NCCO)c3ncc(C)cc23)c1C Show InChI InChI=1S/C19H24N6O2/c1-12-7-16-17(21-8-12)14(19(27)20-5-6-26)9-25(16)10-15-13(2)18(24(3)4)23-11-22-15/h7-9,11,26H,5-6,10H2,1-4H3,(H,20,27) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >3.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human ERG |
J Med Chem 57: 5728-37 (2014)
Article DOI: 10.1021/jm500571f
BindingDB Entry DOI: 10.7270/Q2NS0WHX |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50019655
(CHEMBL3291422)Show SMILES COc1ncnc(Cn2cc(C(=O)NCC(F)F)c3ncc(C)cc23)c1C Show InChI InChI=1S/C18H19F2N5O2/c1-10-4-14-16(21-5-10)12(17(26)22-6-15(19)20)7-25(14)8-13-11(2)18(27-3)24-9-23-13/h4-5,7,9,15H,6,8H2,1-3H3,(H,22,26) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >3.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human ERG |
J Med Chem 57: 5728-37 (2014)
Article DOI: 10.1021/jm500571f
BindingDB Entry DOI: 10.7270/Q2NS0WHX |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50019654
(CHEMBL3109802)Show InChI InChI=1S/C18H21N5O3/c1-11-6-15-16(20-7-11)13(17(25)19-4-5-24)8-23(15)9-14-12(2)18(26-3)22-10-21-14/h6-8,10,24H,4-5,9H2,1-3H3,(H,19,25) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >3.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human ERG |
J Med Chem 57: 5728-37 (2014)
Article DOI: 10.1021/jm500571f
BindingDB Entry DOI: 10.7270/Q2NS0WHX |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50019652
(CHEMBL3109801)Show InChI InChI=1S/C18H20FN5O2/c1-11-6-15-16(21-7-11)13(17(25)20-5-4-19)8-24(15)9-14-12(2)18(26-3)23-10-22-14/h6-8,10H,4-5,9H2,1-3H3,(H,20,25) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >3.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human ERG |
J Med Chem 57: 5728-37 (2014)
Article DOI: 10.1021/jm500571f
BindingDB Entry DOI: 10.7270/Q2NS0WHX |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50019655
(CHEMBL3291422)Show SMILES COc1ncnc(Cn2cc(C(=O)NCC(F)F)c3ncc(C)cc23)c1C Show InChI InChI=1S/C18H19F2N5O2/c1-10-4-14-16(21-5-10)12(17(26)22-6-15(19)20)7-25(14)8-13-11(2)18(27-3)24-9-23-13/h4-5,7,9,15H,6,8H2,1-3H3,(H,22,26) | 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 | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human CYP2C19 |
J Med Chem 57: 5728-37 (2014)
Article DOI: 10.1021/jm500571f
BindingDB Entry DOI: 10.7270/Q2NS0WHX |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50019656
(CHEMBL3291423)Show SMILES CN(C)c1ncnc(Cn2cc(C(=O)NCCO)c3ncc(C)cc23)c1C Show InChI InChI=1S/C19H24N6O2/c1-12-7-16-17(21-8-12)14(19(27)20-5-6-26)9-25(16)10-15-13(2)18(24(3)4)23-11-22-15/h7-9,11,26H,5-6,10H2,1-4H3,(H,20,27) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human CYP2C19 |
J Med Chem 57: 5728-37 (2014)
Article DOI: 10.1021/jm500571f
BindingDB Entry DOI: 10.7270/Q2NS0WHX |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50019657
(CHEMBL3291424)Show SMILES Cc1cnc2c(cn(Cc3ncnc(OC(F)F)c3C)c2c1)C(=O)NCCO Show InChI InChI=1S/C18H19F2N5O3/c1-10-5-14-15(22-6-10)12(16(27)21-3-4-26)7-25(14)8-13-11(2)17(24-9-23-13)28-18(19)20/h5-7,9,18,26H,3-4,8H2,1-2H3,(H,21,27) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human CYP2C19 |
J Med Chem 57: 5728-37 (2014)
Article DOI: 10.1021/jm500571f
BindingDB Entry DOI: 10.7270/Q2NS0WHX |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50019658
(CHEMBL3291427)Show InChI InChI=1S/C18H21N5O4/c1-11-14(21-10-22-18(11)27-3)9-23-8-13(17(25)19-4-5-24)16-15(23)6-12(26-2)7-20-16/h6-8,10,24H,4-5,9H2,1-3H3,(H,19,25) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human CYP2C19 |
J Med Chem 57: 5728-37 (2014)
Article DOI: 10.1021/jm500571f
BindingDB Entry DOI: 10.7270/Q2NS0WHX |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50019659
(CHEMBL3291430)Show SMILES COc1cnc2c(cn(Cc3ncnc(N(C)C)c3C)c2c1)C(=O)NCCO Show InChI InChI=1S/C19H24N6O3/c1-12-15(22-11-23-18(12)24(2)3)10-25-9-14(19(27)20-5-6-26)17-16(25)7-13(28-4)8-21-17/h7-9,11,26H,5-6,10H2,1-4H3,(H,20,27) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human CYP2C19 |
J Med Chem 57: 5728-37 (2014)
Article DOI: 10.1021/jm500571f
BindingDB Entry DOI: 10.7270/Q2NS0WHX |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50019652
(CHEMBL3109801)Show InChI InChI=1S/C18H20FN5O2/c1-11-6-15-16(21-7-11)13(17(25)20-5-4-19)8-24(15)9-14-12(2)18(26-3)23-10-22-14/h6-8,10H,4-5,9H2,1-3H3,(H,20,25) | 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 | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human CYP2C9 |
J Med Chem 57: 5728-37 (2014)
Article DOI: 10.1021/jm500571f
BindingDB Entry DOI: 10.7270/Q2NS0WHX |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50019654
(CHEMBL3109802)Show InChI InChI=1S/C18H21N5O3/c1-11-6-15-16(20-7-11)13(17(25)19-4-5-24)8-23(15)9-14-12(2)18(26-3)22-10-21-14/h6-8,10,24H,4-5,9H2,1-3H3,(H,19,25) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human CYP2C9 |
J Med Chem 57: 5728-37 (2014)
Article DOI: 10.1021/jm500571f
BindingDB Entry DOI: 10.7270/Q2NS0WHX |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50019655
(CHEMBL3291422)Show SMILES COc1ncnc(Cn2cc(C(=O)NCC(F)F)c3ncc(C)cc23)c1C Show InChI InChI=1S/C18H19F2N5O2/c1-10-4-14-16(21-5-10)12(17(26)22-6-15(19)20)7-25(14)8-13-11(2)18(27-3)24-9-23-13/h4-5,7,9,15H,6,8H2,1-3H3,(H,22,26) | 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 | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human CYP2C9 |
J Med Chem 57: 5728-37 (2014)
Article DOI: 10.1021/jm500571f
BindingDB Entry DOI: 10.7270/Q2NS0WHX |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50019656
(CHEMBL3291423)Show SMILES CN(C)c1ncnc(Cn2cc(C(=O)NCCO)c3ncc(C)cc23)c1C Show InChI InChI=1S/C19H24N6O2/c1-12-7-16-17(21-8-12)14(19(27)20-5-6-26)9-25(16)10-15-13(2)18(24(3)4)23-11-22-15/h7-9,11,26H,5-6,10H2,1-4H3,(H,20,27) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human CYP2C9 |
J Med Chem 57: 5728-37 (2014)
Article DOI: 10.1021/jm500571f
BindingDB Entry DOI: 10.7270/Q2NS0WHX |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50019657
(CHEMBL3291424)Show SMILES Cc1cnc2c(cn(Cc3ncnc(OC(F)F)c3C)c2c1)C(=O)NCCO Show InChI InChI=1S/C18H19F2N5O3/c1-10-5-14-15(22-6-10)12(16(27)21-3-4-26)7-25(14)8-13-11(2)17(24-9-23-13)28-18(19)20/h5-7,9,18,26H,3-4,8H2,1-2H3,(H,21,27) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human CYP2C9 |
J Med Chem 57: 5728-37 (2014)
Article DOI: 10.1021/jm500571f
BindingDB Entry DOI: 10.7270/Q2NS0WHX |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50019658
(CHEMBL3291427)Show InChI InChI=1S/C18H21N5O4/c1-11-14(21-10-22-18(11)27-3)9-23-8-13(17(25)19-4-5-24)16-15(23)6-12(26-2)7-20-16/h6-8,10,24H,4-5,9H2,1-3H3,(H,19,25) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human CYP2C9 |
J Med Chem 57: 5728-37 (2014)
Article DOI: 10.1021/jm500571f
BindingDB Entry DOI: 10.7270/Q2NS0WHX |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50019659
(CHEMBL3291430)Show SMILES COc1cnc2c(cn(Cc3ncnc(N(C)C)c3C)c2c1)C(=O)NCCO Show InChI InChI=1S/C19H24N6O3/c1-12-15(22-11-23-18(12)24(2)3)10-25-9-14(19(27)20-5-6-26)17-16(25)7-13(28-4)8-21-17/h7-9,11,26H,5-6,10H2,1-4H3,(H,20,27) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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DrugBank
antibodypedia
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| CHEMBL
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PC sid
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PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human CYP2C9 |
J Med Chem 57: 5728-37 (2014)
Article DOI: 10.1021/jm500571f
BindingDB Entry DOI: 10.7270/Q2NS0WHX |
More data for this
Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50019652
(CHEMBL3109801)Show InChI InChI=1S/C18H20FN5O2/c1-11-6-15-16(21-7-11)13(17(25)20-5-4-19)8-24(15)9-14-12(2)18(26-3)23-10-22-14/h6-8,10H,4-5,9H2,1-3H3,(H,20,25) | PDB
MMDB
Reactome pathway
KEGG
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| CHEMBL
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PC sid
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| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human CYP1A2 |
J Med Chem 57: 5728-37 (2014)
Article DOI: 10.1021/jm500571f
BindingDB Entry DOI: 10.7270/Q2NS0WHX |
More data for this
Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50019654
(CHEMBL3109802)Show InChI InChI=1S/C18H21N5O3/c1-11-6-15-16(20-7-11)13(17(25)19-4-5-24)8-23(15)9-14-12(2)18(26-3)22-10-21-14/h6-8,10,24H,4-5,9H2,1-3H3,(H,19,25) | PDB
MMDB
Reactome pathway
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| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human CYP1A2 |
J Med Chem 57: 5728-37 (2014)
Article DOI: 10.1021/jm500571f
BindingDB Entry DOI: 10.7270/Q2NS0WHX |
More data for this
Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50019655
(CHEMBL3291422)Show SMILES COc1ncnc(Cn2cc(C(=O)NCC(F)F)c3ncc(C)cc23)c1C Show InChI InChI=1S/C18H19F2N5O2/c1-10-4-14-16(21-5-10)12(17(26)22-6-15(19)20)7-25(14)8-13-11(2)18(27-3)24-9-23-13/h4-5,7,9,15H,6,8H2,1-3H3,(H,22,26) | 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 | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human CYP1A2 |
J Med Chem 57: 5728-37 (2014)
Article DOI: 10.1021/jm500571f
BindingDB Entry DOI: 10.7270/Q2NS0WHX |
More data for this
Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50019656
(CHEMBL3291423)Show SMILES CN(C)c1ncnc(Cn2cc(C(=O)NCCO)c3ncc(C)cc23)c1C Show InChI InChI=1S/C19H24N6O2/c1-12-7-16-17(21-8-12)14(19(27)20-5-6-26)9-25(16)10-15-13(2)18(24(3)4)23-11-22-15/h7-9,11,26H,5-6,10H2,1-4H3,(H,20,27) | PDB
MMDB
Reactome pathway
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| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human CYP1A2 |
J Med Chem 57: 5728-37 (2014)
Article DOI: 10.1021/jm500571f
BindingDB Entry DOI: 10.7270/Q2NS0WHX |
More data for this
Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50019657
(CHEMBL3291424)Show SMILES Cc1cnc2c(cn(Cc3ncnc(OC(F)F)c3C)c2c1)C(=O)NCCO Show InChI InChI=1S/C18H19F2N5O3/c1-10-5-14-15(22-6-10)12(16(27)21-3-4-26)7-25(14)8-13-11(2)17(24-9-23-13)28-18(19)20/h5-7,9,18,26H,3-4,8H2,1-2H3,(H,21,27) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human CYP1A2 |
J Med Chem 57: 5728-37 (2014)
Article DOI: 10.1021/jm500571f
BindingDB Entry DOI: 10.7270/Q2NS0WHX |
More data for this
Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50019658
(CHEMBL3291427)Show InChI InChI=1S/C18H21N5O4/c1-11-14(21-10-22-18(11)27-3)9-23-8-13(17(25)19-4-5-24)16-15(23)6-12(26-2)7-20-16/h6-8,10,24H,4-5,9H2,1-3H3,(H,19,25) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human CYP1A2 |
J Med Chem 57: 5728-37 (2014)
Article DOI: 10.1021/jm500571f
BindingDB Entry DOI: 10.7270/Q2NS0WHX |
More data for this
Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50019659
(CHEMBL3291430)Show SMILES COc1cnc2c(cn(Cc3ncnc(N(C)C)c3C)c2c1)C(=O)NCCO Show InChI InChI=1S/C19H24N6O3/c1-12-15(22-11-23-18(12)24(2)3)10-25-9-14(19(27)20-5-6-26)17-16(25)7-13(28-4)8-21-17/h7-9,11,26H,5-6,10H2,1-4H3,(H,20,27) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
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Similars
| Article
PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human CYP1A2 |
J Med Chem 57: 5728-37 (2014)
Article DOI: 10.1021/jm500571f
BindingDB Entry DOI: 10.7270/Q2NS0WHX |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50019652
(CHEMBL3109801)Show InChI InChI=1S/C18H20FN5O2/c1-11-6-15-16(21-7-11)13(17(25)20-5-4-19)8-24(15)9-14-12(2)18(26-3)23-10-22-14/h6-8,10H,4-5,9H2,1-3H3,(H,20,25) | 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 | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human CYP3A4 |
J Med Chem 57: 5728-37 (2014)
Article DOI: 10.1021/jm500571f
BindingDB Entry DOI: 10.7270/Q2NS0WHX |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50019654
(CHEMBL3109802)Show InChI InChI=1S/C18H21N5O3/c1-11-6-15-16(20-7-11)13(17(25)19-4-5-24)8-23(15)9-14-12(2)18(26-3)22-10-21-14/h6-8,10,24H,4-5,9H2,1-3H3,(H,19,25) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
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antibodypedia
GoogleScholar
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CHEMBL
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| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human CYP3A4 |
J Med Chem 57: 5728-37 (2014)
Article DOI: 10.1021/jm500571f
BindingDB Entry DOI: 10.7270/Q2NS0WHX |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50019655
(CHEMBL3291422)Show SMILES COc1ncnc(Cn2cc(C(=O)NCC(F)F)c3ncc(C)cc23)c1C Show InChI InChI=1S/C18H19F2N5O2/c1-10-4-14-16(21-5-10)12(17(26)22-6-15(19)20)7-25(14)8-13-11(2)18(27-3)24-9-23-13/h4-5,7,9,15H,6,8H2,1-3H3,(H,22,26) | 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 | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human CYP3A4 |
J Med Chem 57: 5728-37 (2014)
Article DOI: 10.1021/jm500571f
BindingDB Entry DOI: 10.7270/Q2NS0WHX |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50019656
(CHEMBL3291423)Show SMILES CN(C)c1ncnc(Cn2cc(C(=O)NCCO)c3ncc(C)cc23)c1C Show InChI InChI=1S/C19H24N6O2/c1-12-7-16-17(21-8-12)14(19(27)20-5-6-26)9-25(16)10-15-13(2)18(24(3)4)23-11-22-15/h7-9,11,26H,5-6,10H2,1-4H3,(H,20,27) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
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| Purchase
CHEMBL
MCE
KEGG
PC cid
PC sid
UniChem
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PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human CYP3A4 |
J Med Chem 57: 5728-37 (2014)
Article DOI: 10.1021/jm500571f
BindingDB Entry DOI: 10.7270/Q2NS0WHX |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50019657
(CHEMBL3291424)Show SMILES Cc1cnc2c(cn(Cc3ncnc(OC(F)F)c3C)c2c1)C(=O)NCCO Show InChI InChI=1S/C18H19F2N5O3/c1-10-5-14-15(22-6-10)12(16(27)21-3-4-26)7-25(14)8-13-11(2)17(24-9-23-13)28-18(19)20/h5-7,9,18,26H,3-4,8H2,1-2H3,(H,21,27) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human CYP3A4 |
J Med Chem 57: 5728-37 (2014)
Article DOI: 10.1021/jm500571f
BindingDB Entry DOI: 10.7270/Q2NS0WHX |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50019658
(CHEMBL3291427)Show InChI InChI=1S/C18H21N5O4/c1-11-14(21-10-22-18(11)27-3)9-23-8-13(17(25)19-4-5-24)16-15(23)6-12(26-2)7-20-16/h6-8,10,24H,4-5,9H2,1-3H3,(H,19,25) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human CYP3A4 |
J Med Chem 57: 5728-37 (2014)
Article DOI: 10.1021/jm500571f
BindingDB Entry DOI: 10.7270/Q2NS0WHX |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50019659
(CHEMBL3291430)Show SMILES COc1cnc2c(cn(Cc3ncnc(N(C)C)c3C)c2c1)C(=O)NCCO Show InChI InChI=1S/C19H24N6O3/c1-12-15(22-11-23-18(12)24(2)3)10-25-9-14(19(27)20-5-6-26)17-16(25)7-13(28-4)8-21-17/h7-9,11,26H,5-6,10H2,1-4H3,(H,20,27) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human CYP3A4 |
J Med Chem 57: 5728-37 (2014)
Article DOI: 10.1021/jm500571f
BindingDB Entry DOI: 10.7270/Q2NS0WHX |
More data for this
Ligand-Target Pair | |
Enoyl-[acyl-carrier-protein] reductase [NADH]
(Mycobacterium tuberculosis (strain ATCC 25618 / H3...) | BDBM50047690
(CHEMBL3319431)Show InChI InChI=1S/C16H15N3S/c1-2-3-14-10-13(6-9-18-14)16-19-15(11-20-16)12-4-7-17-8-5-12/h4-11H,2-3H2,1H3 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of Mycobacterium tuberculosis InhA using NADH and dodecyl coA substrate by LC-MS/MS method |
J Med Chem 57: 6572-82 (2014)
Article DOI: 10.1021/jm500833f
BindingDB Entry DOI: 10.7270/Q23J3FMN |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50019654
(CHEMBL3109802)Show InChI InChI=1S/C18H21N5O3/c1-11-6-15-16(20-7-11)13(17(25)19-4-5-24)8-23(15)9-14-12(2)18(26-3)22-10-21-14/h6-8,10,24H,4-5,9H2,1-3H3,(H,19,25) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human CYP2C19 |
J Med Chem 57: 5728-37 (2014)
Article DOI: 10.1021/jm500571f
BindingDB Entry DOI: 10.7270/Q2NS0WHX |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50019652
(CHEMBL3109801)Show InChI InChI=1S/C18H20FN5O2/c1-11-6-15-16(21-7-11)13(17(25)20-5-4-19)8-24(15)9-14-12(2)18(26-3)23-10-22-14/h6-8,10H,4-5,9H2,1-3H3,(H,20,25) | 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 | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human CYP2C19 |
J Med Chem 57: 5728-37 (2014)
Article DOI: 10.1021/jm500571f
BindingDB Entry DOI: 10.7270/Q2NS0WHX |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50019659
(CHEMBL3291430)Show SMILES COc1cnc2c(cn(Cc3ncnc(N(C)C)c3C)c2c1)C(=O)NCCO Show InChI InChI=1S/C19H24N6O3/c1-12-15(22-11-23-18(12)24(2)3)10-25-9-14(19(27)20-5-6-26)17-16(25)7-13(28-4)8-21-17/h7-9,11,26H,5-6,10H2,1-4H3,(H,20,27) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human CYP2D6 |
J Med Chem 57: 5728-37 (2014)
Article DOI: 10.1021/jm500571f
BindingDB Entry DOI: 10.7270/Q2NS0WHX |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50019658
(CHEMBL3291427)Show InChI InChI=1S/C18H21N5O4/c1-11-14(21-10-22-18(11)27-3)9-23-8-13(17(25)19-4-5-24)16-15(23)6-12(26-2)7-20-16/h6-8,10,24H,4-5,9H2,1-3H3,(H,19,25) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human CYP2D6 |
J Med Chem 57: 5728-37 (2014)
Article DOI: 10.1021/jm500571f
BindingDB Entry DOI: 10.7270/Q2NS0WHX |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50019657
(CHEMBL3291424)Show SMILES Cc1cnc2c(cn(Cc3ncnc(OC(F)F)c3C)c2c1)C(=O)NCCO Show InChI InChI=1S/C18H19F2N5O3/c1-10-5-14-15(22-6-10)12(16(27)21-3-4-26)7-25(14)8-13-11(2)17(24-9-23-13)28-18(19)20/h5-7,9,18,26H,3-4,8H2,1-2H3,(H,21,27) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human CYP2D6 |
J Med Chem 57: 5728-37 (2014)
Article DOI: 10.1021/jm500571f
BindingDB Entry DOI: 10.7270/Q2NS0WHX |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50019656
(CHEMBL3291423)Show SMILES CN(C)c1ncnc(Cn2cc(C(=O)NCCO)c3ncc(C)cc23)c1C Show InChI InChI=1S/C19H24N6O2/c1-12-7-16-17(21-8-12)14(19(27)20-5-6-26)9-25(16)10-15-13(2)18(24(3)4)23-11-22-15/h7-9,11,26H,5-6,10H2,1-4H3,(H,20,27) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
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CHEMBL
MCE
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human CYP2D6 |
J Med Chem 57: 5728-37 (2014)
Article DOI: 10.1021/jm500571f
BindingDB Entry DOI: 10.7270/Q2NS0WHX |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50019655
(CHEMBL3291422)Show SMILES COc1ncnc(Cn2cc(C(=O)NCC(F)F)c3ncc(C)cc23)c1C Show InChI InChI=1S/C18H19F2N5O2/c1-10-4-14-16(21-5-10)12(17(26)22-6-15(19)20)7-25(14)8-13-11(2)18(27-3)24-9-23-13/h4-5,7,9,15H,6,8H2,1-3H3,(H,22,26) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human CYP2D6 |
J Med Chem 57: 5728-37 (2014)
Article DOI: 10.1021/jm500571f
BindingDB Entry DOI: 10.7270/Q2NS0WHX |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50019652
(CHEMBL3109801)Show InChI InChI=1S/C18H20FN5O2/c1-11-6-15-16(21-7-11)13(17(25)20-5-4-19)8-24(15)9-14-12(2)18(26-3)23-10-22-14/h6-8,10H,4-5,9H2,1-3H3,(H,20,25) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human CYP2D6 |
J Med Chem 57: 5728-37 (2014)
Article DOI: 10.1021/jm500571f
BindingDB Entry DOI: 10.7270/Q2NS0WHX |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50019654
(CHEMBL3109802)Show InChI InChI=1S/C18H21N5O3/c1-11-6-15-16(20-7-11)13(17(25)19-4-5-24)8-23(15)9-14-12(2)18(26-3)22-10-21-14/h6-8,10,24H,4-5,9H2,1-3H3,(H,19,25) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human CYP2D6 |
J Med Chem 57: 5728-37 (2014)
Article DOI: 10.1021/jm500571f
BindingDB Entry DOI: 10.7270/Q2NS0WHX |
More data for this
Ligand-Target Pair | |
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