Found 57 hits Enz. Inhib. hit(s) with all data for entry = 50021019 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 |
|---|
Amine oxidase [flavin-containing] A
(Homo sapiens (Human)) | BDBM50220018
((5R)-3-[4-(6-acetylpyridin-3-yl)-3-fluorophenyl]-5...)Show SMILES CC(=O)c1ccc(cn1)-c1ccc(cc1F)N1C[C@H](Cn2ccnn2)OC1=O Show InChI InChI=1S/C19H16FN5O3/c1-12(26)18-5-2-13(9-21-18)16-4-3-14(8-17(16)20)25-11-15(28-19(25)27)10-24-7-6-22-23-24/h2-9,15H,10-11H2,1H3/t15-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 700 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca Discovery
Curated by ChEMBL
| Assay Description
Inhibition of human liver MAOA expressed in yeast |
J Med Chem 50: 4868-81 (2007)
Article DOI: 10.1021/jm070428+
BindingDB Entry DOI: 10.7270/Q2SX6CX0 |
More data for this
Ligand-Target Pair | |
Amine oxidase [flavin-containing] A
(Homo sapiens (Human)) | BDBM50220036
((5R)-3-{3-fluoro-4-[6-(methoxymethyl)pyridin-3-yl]...)Show SMILES COCc1ccc(cn1)-c1ccc(cc1F)N1C[C@H](Cn2ccnn2)OC1=O Show InChI InChI=1S/C19H18FN5O3/c1-27-12-14-3-2-13(9-21-14)17-5-4-15(8-18(17)20)25-11-16(28-19(25)26)10-24-7-6-22-23-24/h2-9,16H,10-12H2,1H3/t16-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca Discovery
Curated by ChEMBL
| Assay Description
Inhibition of human liver MAOA expressed in yeast |
J Med Chem 50: 4868-81 (2007)
Article DOI: 10.1021/jm070428+
BindingDB Entry DOI: 10.7270/Q2SX6CX0 |
More data for this
Ligand-Target Pair | |
Amine oxidase [flavin-containing] A
(Homo sapiens (Human)) | BDBM50220028
((5R)-3-(3-fluoro-4-{6-[(1S)-1-methoxyethyl]pyridin...)Show SMILES CO[C@@H](C)c1ccc(cn1)-c1ccc(cc1F)N1C[C@H](Cn2ccnn2)OC1=O Show InChI InChI=1S/C20H20FN5O3/c1-13(28-2)19-6-3-14(10-22-19)17-5-4-15(9-18(17)21)26-12-16(29-20(26)27)11-25-8-7-23-24-25/h3-10,13,16H,11-12H2,1-2H3/t13-,16-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca Discovery
Curated by ChEMBL
| Assay Description
Inhibition of human liver MAOA expressed in yeast |
J Med Chem 50: 4868-81 (2007)
Article DOI: 10.1021/jm070428+
BindingDB Entry DOI: 10.7270/Q2SX6CX0 |
More data for this
Ligand-Target Pair | |
Amine oxidase [flavin-containing] A
(Homo sapiens (Human)) | BDBM50220033
((5R)-3-(3-fluoro-4-{6-[(1R)-1-methoxyethyl]pyridin...)Show SMILES CO[C@H](C)c1ccc(cn1)-c1ccc(cc1F)N1C[C@H](Cn2ccnn2)OC1=O Show InChI InChI=1S/C20H20FN5O3/c1-13(28-2)19-6-3-14(10-22-19)17-5-4-15(9-18(17)21)26-12-16(29-20(26)27)11-25-8-7-23-24-25/h3-10,13,16H,11-12H2,1-2H3/t13-,16+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca Discovery
Curated by ChEMBL
| Assay Description
Inhibition of human liver MAOA expressed in yeast |
J Med Chem 50: 4868-81 (2007)
Article DOI: 10.1021/jm070428+
BindingDB Entry DOI: 10.7270/Q2SX6CX0 |
More data for this
Ligand-Target Pair | |
Amine oxidase [flavin-containing] A
(Homo sapiens (Human)) | BDBM50220029
((5R)-3-(3-fluoro-4-{6-[(1R)-1-hydroxyethyl]pyridin...)Show SMILES C[C@@H](O)c1ccc(cn1)-c1ccc(cc1F)N1C[C@H](Cn2ccnn2)OC1=O Show InChI InChI=1S/C19H18FN5O3/c1-12(26)18-5-2-13(9-21-18)16-4-3-14(8-17(16)20)25-11-15(28-19(25)27)10-24-7-6-22-23-24/h2-9,12,15,26H,10-11H2,1H3/t12-,15+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca Discovery
Curated by ChEMBL
| Assay Description
Inhibition of human liver MAOA expressed in yeast |
J Med Chem 50: 4868-81 (2007)
Article DOI: 10.1021/jm070428+
BindingDB Entry DOI: 10.7270/Q2SX6CX0 |
More data for this
Ligand-Target Pair | |
Amine oxidase [flavin-containing] A
(Homo sapiens (Human)) | BDBM50220034
((5R)-3-{4-[6-(azetidin-3-ylcarbonyl)pyridin-3-yl]-...)Show SMILES Fc1cc(ccc1-c1ccc(nc1)C(=O)C1CNC1)N1C[C@H](Cn2ccnn2)OC1=O Show InChI InChI=1S/C21H19FN6O3/c22-18-7-15(28-12-16(31-21(28)30)11-27-6-5-25-26-27)2-3-17(18)13-1-4-19(24-10-13)20(29)14-8-23-9-14/h1-7,10,14,16,23H,8-9,11-12H2/t16-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca Discovery
Curated by ChEMBL
| Assay Description
Inhibition of human liver MAOA expressed in yeast |
J Med Chem 50: 4868-81 (2007)
Article DOI: 10.1021/jm070428+
BindingDB Entry DOI: 10.7270/Q2SX6CX0 |
More data for this
Ligand-Target Pair | |
Amine oxidase [flavin-containing] A
(Homo sapiens (Human)) | BDBM50220015
((5R)-3-{3-fluoro-4-[6-(hydroxymethyl)pyridin-3-yl]...)Show SMILES OCc1ccc(cn1)-c1ccc(cc1F)N1C[C@H](Cn2ccnn2)OC1=O Show InChI InChI=1S/C18H16FN5O3/c19-17-7-14(3-4-16(17)12-1-2-13(11-25)20-8-12)24-10-15(27-18(24)26)9-23-6-5-21-22-23/h1-8,15,25H,9-11H2/t15-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca Discovery
Curated by ChEMBL
| Assay Description
Inhibition of human liver MAOA expressed in yeast |
J Med Chem 50: 4868-81 (2007)
Article DOI: 10.1021/jm070428+
BindingDB Entry DOI: 10.7270/Q2SX6CX0 |
More data for this
Ligand-Target Pair | |
Amine oxidase [flavin-containing] A
(Homo sapiens (Human)) | BDBM50220017
((5R)-3-(3-fluoro-4-{6-[(4-methyl-1H-imidazol-1-yl)...)Show SMILES Cc1cn(CC(=O)c2ccc(cn2)-c2ccc(cc2F)N2C[C@H](Cn3ccnn3)OC2=O)cn1 Show InChI InChI=1S/C23H20FN7O3/c1-15-10-29(14-26-15)13-22(32)21-5-2-16(9-25-21)19-4-3-17(8-20(19)24)31-12-18(34-23(31)33)11-30-7-6-27-28-30/h2-10,14,18H,11-13H2,1H3/t18-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >5.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca Discovery
Curated by ChEMBL
| Assay Description
Inhibition of human liver MAOA expressed in yeast |
J Med Chem 50: 4868-81 (2007)
Article DOI: 10.1021/jm070428+
BindingDB Entry DOI: 10.7270/Q2SX6CX0 |
More data for this
Ligand-Target Pair | |
Amine oxidase [flavin-containing] A
(Homo sapiens (Human)) | BDBM50220032
((5R)-3-(3-fluoro-4-{6-[(1S)-1-hydroxyethyl]pyridin...)Show SMILES C[C@H](O)c1ccc(cn1)-c1ccc(cc1F)N1C[C@H](Cn2ccnn2)OC1=O Show InChI InChI=1S/C19H18FN5O3/c1-12(26)18-5-2-13(9-21-18)16-4-3-14(8-17(16)20)25-11-15(28-19(25)27)10-24-7-6-22-23-24/h2-9,12,15,26H,10-11H2,1H3/t12-,15-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 5.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca Discovery
Curated by ChEMBL
| Assay Description
Inhibition of human liver MAOA expressed in yeast |
J Med Chem 50: 4868-81 (2007)
Article DOI: 10.1021/jm070428+
BindingDB Entry DOI: 10.7270/Q2SX6CX0 |
More data for this
Ligand-Target Pair | |
Amine oxidase [flavin-containing] A
(Homo sapiens (Human)) | BDBM50220021
((5R)-3-{3-fluoro-4-[6-(1-hydroxy-1-methylethyl)pyr...)Show SMILES CC(C)(O)c1ccc(cn1)-c1ccc(cc1F)N1C[C@H](Cn2ccnn2)OC1=O Show InChI InChI=1S/C20H20FN5O3/c1-20(2,28)18-6-3-13(10-22-18)16-5-4-14(9-17(16)21)26-12-15(29-19(26)27)11-25-8-7-23-24-25/h3-10,15,28H,11-12H2,1-2H3/t15-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 6.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca Discovery
Curated by ChEMBL
| Assay Description
Inhibition of human liver MAOA expressed in yeast |
J Med Chem 50: 4868-81 (2007)
Article DOI: 10.1021/jm070428+
BindingDB Entry DOI: 10.7270/Q2SX6CX0 |
More data for this
Ligand-Target Pair | |
Amine oxidase [flavin-containing] A
(Homo sapiens (Human)) | BDBM50220035
((5R)-3-(3-fluoro-4-{6-[4-(4-methylpiperazin-1-yl)b...)Show SMILES CN1CCN(CCCC(=O)c2ccc(cn2)-c2ccc(cc2F)N2C[C@H](Cn3ccnn3)OC2=O)CC1 Show InChI InChI=1S/C26H30FN7O3/c1-31-11-13-32(14-12-31)9-2-3-25(35)24-7-4-19(16-28-24)22-6-5-20(15-23(22)27)34-18-21(37-26(34)36)17-33-10-8-29-30-33/h4-8,10,15-16,21H,2-3,9,11-14,17-18H2,1H3/t21-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.05E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca Discovery
Curated by ChEMBL
| Assay Description
Inhibition of human liver MAOA expressed in yeast |
J Med Chem 50: 4868-81 (2007)
Article DOI: 10.1021/jm070428+
BindingDB Entry DOI: 10.7270/Q2SX6CX0 |
More data for this
Ligand-Target Pair | |
Amine oxidase [flavin-containing] A
(Homo sapiens (Human)) | BDBM50220027
((5R)-3-(4-{6-[(2,4-dimethyl-1H-imidazol-1-yl)acety...)Show SMILES Cc1cn(CC(=O)c2ccc(cn2)-c2ccc(cc2F)N2C[C@H](Cn3ccnn3)OC2=O)c(C)n1 Show InChI InChI=1S/C24H22FN7O3/c1-15-11-30(16(2)28-15)14-23(33)22-6-3-17(10-26-22)20-5-4-18(9-21(20)25)32-13-19(35-24(32)34)12-31-8-7-27-29-31/h3-11,19H,12-14H2,1-2H3/t19-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca Discovery
Curated by ChEMBL
| Assay Description
Inhibition of human liver MAOA expressed in yeast |
J Med Chem 50: 4868-81 (2007)
Article DOI: 10.1021/jm070428+
BindingDB Entry DOI: 10.7270/Q2SX6CX0 |
More data for this
Ligand-Target Pair | |
Amine oxidase [flavin-containing] A
(Homo sapiens (Human)) | BDBM50220022
((5R)-3-{3-fluoro-4-[6-(1-hydroxy-2-methylpropyl)py...)Show SMILES CC(C)C(O)c1ccc(cn1)-c1ccc(cc1F)N1C[C@H](Cn2ccnn2)OC1=O |w:3.3| Show InChI InChI=1S/C21H22FN5O3/c1-13(2)20(28)19-6-3-14(10-23-19)17-5-4-15(9-18(17)22)27-12-16(30-21(27)29)11-26-8-7-24-25-26/h3-10,13,16,20,28H,11-12H2,1-2H3/t16-,20?/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.13E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca Discovery
Curated by ChEMBL
| Assay Description
Inhibition of human liver MAOA expressed in yeast |
J Med Chem 50: 4868-81 (2007)
Article DOI: 10.1021/jm070428+
BindingDB Entry DOI: 10.7270/Q2SX6CX0 |
More data for this
Ligand-Target Pair | |
Amine oxidase [flavin-containing] A
(Homo sapiens (Human)) | BDBM50220023
((5R)-3-{3-fluoro-4-[6-(1H-imidazol-1-ylacetyl)pyri...)Show SMILES Fc1cc(ccc1-c1ccc(nc1)C(=O)Cn1ccnc1)N1C[C@H](Cn2ccnn2)OC1=O Show InChI InChI=1S/C22H18FN7O3/c23-19-9-16(30-12-17(33-22(30)32)11-29-8-6-26-27-29)2-3-18(19)15-1-4-20(25-10-15)21(31)13-28-7-5-24-14-28/h1-10,14,17H,11-13H2/t17-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca Discovery
Curated by ChEMBL
| Assay Description
Inhibition of human liver MAOA expressed in yeast |
J Med Chem 50: 4868-81 (2007)
Article DOI: 10.1021/jm070428+
BindingDB Entry DOI: 10.7270/Q2SX6CX0 |
More data for this
Ligand-Target Pair | |
Amine oxidase [flavin-containing] A
(Homo sapiens (Human)) | BDBM50220038
((5R)-3-{3-fluoro-4-[6-(4-morpholin-4-ylbutanoyl)py...)Show SMILES Fc1cc(ccc1-c1ccc(nc1)C(=O)CCCN1CCOCC1)N1C[C@H](Cn2ccnn2)OC1=O Show InChI InChI=1S/C25H27FN6O4/c26-22-14-19(32-17-20(36-25(32)34)16-31-9-7-28-29-31)4-5-21(22)18-3-6-23(27-15-18)24(33)2-1-8-30-10-12-35-13-11-30/h3-7,9,14-15,20H,1-2,8,10-13,16-17H2/t20-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca Discovery
Curated by ChEMBL
| Assay Description
Inhibition of human liver MAOA expressed in yeast |
J Med Chem 50: 4868-81 (2007)
Article DOI: 10.1021/jm070428+
BindingDB Entry DOI: 10.7270/Q2SX6CX0 |
More data for this
Ligand-Target Pair | |
Amine oxidase [flavin-containing] A
(Homo sapiens (Human)) | BDBM50220019
((5R)-3-(4-{6-[(2,5-dimethyl-1H-imidazol-1-yl)acety...)Show SMILES Cc1cnc(C)n1CC(=O)c1ccc(cn1)-c1ccc(cc1F)N1C[C@H](Cn2ccnn2)OC1=O Show InChI InChI=1S/C24H22FN7O3/c1-15-10-26-16(2)31(15)14-23(33)22-6-3-17(11-27-22)20-5-4-18(9-21(20)25)32-13-19(35-24(32)34)12-30-8-7-28-29-30/h3-11,19H,12-14H2,1-2H3/t19-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.90E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca Discovery
Curated by ChEMBL
| Assay Description
Inhibition of human liver MAOA expressed in yeast |
J Med Chem 50: 4868-81 (2007)
Article DOI: 10.1021/jm070428+
BindingDB Entry DOI: 10.7270/Q2SX6CX0 |
More data for this
Ligand-Target Pair | |
Amine oxidase [flavin-containing] A
(Homo sapiens (Human)) | BDBM50220013
((5R)-3-{3-fluoro-4-[6-(piperidin-4-ylacetyl)pyridi...)Show SMILES Fc1cc(ccc1-c1ccc(nc1)C(=O)CC1CCNCC1)N1C[C@H](Cn2ccnn2)OC1=O Show InChI InChI=1S/C24H25FN6O3/c25-21-12-18(31-15-19(34-24(31)33)14-30-10-9-28-29-30)2-3-20(21)17-1-4-22(27-13-17)23(32)11-16-5-7-26-8-6-16/h1-4,9-10,12-13,16,19,26H,5-8,11,14-15H2/t19-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.80E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca Discovery
Curated by ChEMBL
| Assay Description
Inhibition of human liver MAOA expressed in yeast |
J Med Chem 50: 4868-81 (2007)
Article DOI: 10.1021/jm070428+
BindingDB Entry DOI: 10.7270/Q2SX6CX0 |
More data for this
Ligand-Target Pair | |
Amine oxidase [flavin-containing] A
(Homo sapiens (Human)) | BDBM50220039
((5R)-3-(3-fluoro-4-{6-[1-hydroxy-4-(4-methylpipera...)Show SMILES CN1CCN(CCCC(O)c2ccc(cn2)-c2ccc(cc2F)N2C[C@H](Cn3ccnn3)OC2=O)CC1 |w:8.8| Show InChI InChI=1S/C26H32FN7O3/c1-31-11-13-32(14-12-31)9-2-3-25(35)24-7-4-19(16-28-24)22-6-5-20(15-23(22)27)34-18-21(37-26(34)36)17-33-10-8-29-30-33/h4-8,10,15-16,21,25,35H,2-3,9,11-14,17-18H2,1H3/t21-,25?/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca Discovery
Curated by ChEMBL
| Assay Description
Inhibition of human liver MAOA expressed in yeast |
J Med Chem 50: 4868-81 (2007)
Article DOI: 10.1021/jm070428+
BindingDB Entry DOI: 10.7270/Q2SX6CX0 |
More data for this
Ligand-Target Pair | |
Amine oxidase [flavin-containing] A
(Homo sapiens (Human)) | BDBM50220024
((5R)-3-{3-fluoro-4-[6-(piperidin-4-ylcarbonyl)pyri...)Show SMILES Fc1cc(ccc1-c1ccc(nc1)C(=O)C1CCNCC1)N1C[C@H](Cn2ccnn2)OC1=O Show InChI InChI=1S/C23H23FN6O3/c24-20-11-17(30-14-18(33-23(30)32)13-29-10-9-27-28-29)2-3-19(20)16-1-4-21(26-12-16)22(31)15-5-7-25-8-6-15/h1-4,9-12,15,18,25H,5-8,13-14H2/t18-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >4.40E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca Discovery
Curated by ChEMBL
| Assay Description
Inhibition of human liver MAOA expressed in yeast |
J Med Chem 50: 4868-81 (2007)
Article DOI: 10.1021/jm070428+
BindingDB Entry DOI: 10.7270/Q2SX6CX0 |
More data for this
Ligand-Target Pair | |
Amine oxidase [flavin-containing] A
(Homo sapiens (Human)) | BDBM50220016
((5R)-3-(4-{6-[(2-ethyl-1H-imidazol-1-yl)acetyl]pyr...)Show SMILES CCc1nccn1CC(=O)c1ccc(cn1)-c1ccc(cc1F)N1C[C@H](Cn2ccnn2)OC1=O Show InChI InChI=1S/C24H22FN7O3/c1-2-23-26-7-9-30(23)15-22(33)21-6-3-16(12-27-21)19-5-4-17(11-20(19)25)32-14-18(35-24(32)34)13-31-10-8-28-29-31/h3-12,18H,2,13-15H2,1H3/t18-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >4.40E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca Discovery
Curated by ChEMBL
| Assay Description
Inhibition of human liver MAOA expressed in yeast |
J Med Chem 50: 4868-81 (2007)
Article DOI: 10.1021/jm070428+
BindingDB Entry DOI: 10.7270/Q2SX6CX0 |
More data for this
Ligand-Target Pair | |
Amine oxidase [flavin-containing] A
(Homo sapiens (Human)) | BDBM50220031
((5R)-3-{4-[6-(1,2-dihydroxyethyl)pyridin-3-yl]-3-f...)Show SMILES OCC(O)c1ccc(cn1)-c1ccc(cc1F)N1C[C@H](Cn2ccnn2)OC1=O |w:2.2| Show InChI InChI=1S/C19H18FN5O4/c20-16-7-13(25-10-14(29-19(25)28)9-24-6-5-22-23-24)2-3-15(16)12-1-4-17(21-8-12)18(27)11-26/h1-8,14,18,26-27H,9-11H2/t14-,18?/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4.80E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca Discovery
Curated by ChEMBL
| Assay Description
Inhibition of human liver MAOA expressed in yeast |
J Med Chem 50: 4868-81 (2007)
Article DOI: 10.1021/jm070428+
BindingDB Entry DOI: 10.7270/Q2SX6CX0 |
More data for this
Ligand-Target Pair | |
Amine oxidase [flavin-containing] A
(Homo sapiens (Human)) | BDBM50220037
((5R)-3-(4-{6-[azetidin-3-yl(hydroxy)methyl]pyridin...)Show SMILES OC(C1CNC1)c1ccc(cn1)-c1ccc(cc1F)N1C[C@H](Cn2ccnn2)OC1=O |w:1.0| Show InChI InChI=1S/C21H21FN6O3/c22-18-7-15(28-12-16(31-21(28)30)11-27-6-5-25-26-27)2-3-17(18)13-1-4-19(24-10-13)20(29)14-8-23-9-14/h1-7,10,14,16,20,23,29H,8-9,11-12H2/t16-,20?/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 5.80E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca Discovery
Curated by ChEMBL
| Assay Description
Inhibition of human liver MAOA expressed in yeast |
J Med Chem 50: 4868-81 (2007)
Article DOI: 10.1021/jm070428+
BindingDB Entry DOI: 10.7270/Q2SX6CX0 |
More data for this
Ligand-Target Pair | |
Amine oxidase [flavin-containing] A
(Homo sapiens (Human)) | BDBM50220026
((5R)-3-(3-fluoro-4-{6-[(2-methyl-1H-imidazol-1-yl)...)Show SMILES Cc1nccn1CC(=O)c1ccc(cn1)-c1ccc(cc1F)N1C[C@H](Cn2ccnn2)OC1=O Show InChI InChI=1S/C23H20FN7O3/c1-15-25-6-8-29(15)14-22(32)21-5-2-16(11-26-21)19-4-3-17(10-20(19)24)31-13-18(34-23(31)33)12-30-9-7-27-28-30/h2-11,18H,12-14H2,1H3/t18-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >8.90E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca Discovery
Curated by ChEMBL
| Assay Description
Inhibition of human liver MAOA expressed in yeast |
J Med Chem 50: 4868-81 (2007)
Article DOI: 10.1021/jm070428+
BindingDB Entry DOI: 10.7270/Q2SX6CX0 |
More data for this
Ligand-Target Pair | |
Amine oxidase [flavin-containing] A
(Homo sapiens (Human)) | BDBM50220014
((5R)-3-{3-fluoro-4-[6-(1-hydroxy-2-morpholin-4-yle...)Show SMILES OC(CN1CCOCC1)c1ccc(cn1)-c1ccc(cc1F)N1C[C@H](Cn2ccnn2)OC1=O |w:1.0| Show InChI InChI=1S/C23H25FN6O4/c24-20-11-17(30-14-18(34-23(30)32)13-29-6-5-26-27-29)2-3-19(20)16-1-4-21(25-12-16)22(31)15-28-7-9-33-10-8-28/h1-6,11-12,18,22,31H,7-10,13-15H2/t18-,22?/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 9.40E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca Discovery
Curated by ChEMBL
| Assay Description
Inhibition of human liver MAOA expressed in yeast |
J Med Chem 50: 4868-81 (2007)
Article DOI: 10.1021/jm070428+
BindingDB Entry DOI: 10.7270/Q2SX6CX0 |
More data for this
Ligand-Target Pair | |
Amine oxidase [flavin-containing] A
(Homo sapiens (Human)) | BDBM50220020
((5R)-3-(3-fluoro-4-{6-[hydroxy(piperidin-4-yl)meth...)Show SMILES OC(C1CCNCC1)c1ccc(cn1)-c1ccc(cc1F)N1C[C@H](Cn2ccnn2)OC1=O |w:1.0| Show InChI InChI=1S/C23H25FN6O3/c24-20-11-17(30-14-18(33-23(30)32)13-29-10-9-27-28-29)2-3-19(20)16-1-4-21(26-12-16)22(31)15-5-7-25-8-6-15/h1-4,9-12,15,18,22,25,31H,5-8,13-14H2/t18-,22?/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.36E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca Discovery
Curated by ChEMBL
| Assay Description
Inhibition of human liver MAOA expressed in yeast |
J Med Chem 50: 4868-81 (2007)
Article DOI: 10.1021/jm070428+
BindingDB Entry DOI: 10.7270/Q2SX6CX0 |
More data for this
Ligand-Target Pair | |
Amine oxidase [flavin-containing] A
(Homo sapiens (Human)) | BDBM50220030
((5R)-3-(3-fluoro-4-{6-[1-hydroxy-2-(isopropylamino...)Show SMILES CC(C)NCC(O)c1ccc(cn1)-c1ccc(cc1F)N1C[C@H](Cn2ccnn2)OC1=O |w:5.5| Show InChI InChI=1S/C22H25FN6O3/c1-14(2)24-11-21(30)20-6-3-15(10-25-20)18-5-4-16(9-19(18)23)29-13-17(32-22(29)31)12-28-8-7-26-27-28/h3-10,14,17,21,24,30H,11-13H2,1-2H3/t17-,21?/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.78E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca Discovery
Curated by ChEMBL
| Assay Description
Inhibition of human liver MAOA expressed in yeast |
J Med Chem 50: 4868-81 (2007)
Article DOI: 10.1021/jm070428+
BindingDB Entry DOI: 10.7270/Q2SX6CX0 |
More data for this
Ligand-Target Pair | |
Amine oxidase [flavin-containing] A
(Homo sapiens (Human)) | BDBM50220025
((5R)-3-(4-{6-[2-(dimethylamino)-1-hydroxyethyl]pyr...)Show SMILES CN(C)CC(O)c1ccc(cn1)-c1ccc(cc1F)N1C[C@H](Cn2ccnn2)OC1=O |w:4.4| Show InChI InChI=1S/C21H23FN6O3/c1-26(2)13-20(29)19-6-3-14(10-23-19)17-5-4-15(9-18(17)22)28-12-16(31-21(28)30)11-27-8-7-24-25-27/h3-10,16,20,29H,11-13H2,1-2H3/t16-,20?/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.78E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca Discovery
Curated by ChEMBL
| Assay Description
Inhibition of human liver MAOA expressed in yeast |
J Med Chem 50: 4868-81 (2007)
Article DOI: 10.1021/jm070428+
BindingDB Entry DOI: 10.7270/Q2SX6CX0 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50220023
((5R)-3-{3-fluoro-4-[6-(1H-imidazol-1-ylacetyl)pyri...)Show SMILES Fc1cc(ccc1-c1ccc(nc1)C(=O)Cn1ccnc1)N1C[C@H](Cn2ccnn2)OC1=O Show InChI InChI=1S/C22H18FN7O3/c23-19-9-16(30-12-17(33-22(30)32)11-29-8-6-26-27-29)2-3-18(19)15-1-4-20(25-10-15)21(31)13-28-7-5-24-14-28/h1-10,14,17H,11-13H2/t17-/m0/s1 | 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 | 300 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca Discovery
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CYP3A4 |
J Med Chem 50: 4868-81 (2007)
Article DOI: 10.1021/jm070428+
BindingDB Entry DOI: 10.7270/Q2SX6CX0 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50220012
((5R)-3-(3-fluoro-4-pyridin-3-ylphenyl)-5-(1H-1,2,3...)Show SMILES Fc1cc(ccc1-c1cccnc1)N1C[C@H](Cn2ccnn2)OC1=O Show InChI InChI=1S/C17H14FN5O2/c18-16-8-13(3-4-15(16)12-2-1-5-19-9-12)23-11-14(25-17(23)24)10-22-7-6-20-21-22/h1-9,14H,10-11H2/t14-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca Discovery
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CYP2D6 |
J Med Chem 50: 4868-81 (2007)
Article DOI: 10.1021/jm070428+
BindingDB Entry DOI: 10.7270/Q2SX6CX0 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50220012
((5R)-3-(3-fluoro-4-pyridin-3-ylphenyl)-5-(1H-1,2,3...)Show SMILES Fc1cc(ccc1-c1cccnc1)N1C[C@H](Cn2ccnn2)OC1=O Show InChI InChI=1S/C17H14FN5O2/c18-16-8-13(3-4-15(16)12-2-1-5-19-9-12)23-11-14(25-17(23)24)10-22-7-6-20-21-22/h1-9,14H,10-11H2/t14-/m0/s1 | 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 | 6.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca Discovery
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CYP3A4 |
J Med Chem 50: 4868-81 (2007)
Article DOI: 10.1021/jm070428+
BindingDB Entry DOI: 10.7270/Q2SX6CX0 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50220023
((5R)-3-{3-fluoro-4-[6-(1H-imidazol-1-ylacetyl)pyri...)Show SMILES Fc1cc(ccc1-c1ccc(nc1)C(=O)Cn1ccnc1)N1C[C@H](Cn2ccnn2)OC1=O Show InChI InChI=1S/C22H18FN7O3/c23-19-9-16(30-12-17(33-22(30)32)11-29-8-6-26-27-29)2-3-18(19)15-1-4-20(25-10-15)21(31)13-28-7-5-24-14-28/h1-10,14,17H,11-13H2/t17-/m0/s1 | 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 | 8.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca Discovery
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CYP2C9 |
J Med Chem 50: 4868-81 (2007)
Article DOI: 10.1021/jm070428+
BindingDB Entry DOI: 10.7270/Q2SX6CX0 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50220019
((5R)-3-(4-{6-[(2,5-dimethyl-1H-imidazol-1-yl)acety...)Show SMILES Cc1cnc(C)n1CC(=O)c1ccc(cn1)-c1ccc(cc1F)N1C[C@H](Cn2ccnn2)OC1=O Show InChI InChI=1S/C24H22FN7O3/c1-15-10-26-16(2)31(15)14-23(33)22-6-3-17(11-27-22)20-5-4-18(9-21(20)25)32-13-19(35-24(32)34)12-30-8-7-28-29-30/h3-11,19H,12-14H2,1-2H3/t19-/m0/s1 | 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 | 1.07E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca Discovery
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CYP3A4 |
J Med Chem 50: 4868-81 (2007)
Article DOI: 10.1021/jm070428+
BindingDB Entry DOI: 10.7270/Q2SX6CX0 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50220015
((5R)-3-{3-fluoro-4-[6-(hydroxymethyl)pyridin-3-yl]...)Show SMILES OCc1ccc(cn1)-c1ccc(cc1F)N1C[C@H](Cn2ccnn2)OC1=O Show InChI InChI=1S/C18H16FN5O3/c19-17-7-14(3-4-16(17)12-1-2-13(11-25)20-8-12)24-10-15(27-18(24)26)9-23-6-5-21-22-23/h1-8,15,25H,9-11H2/t15-/m0/s1 | PDB
UniProtKB/SwissProt
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 |
AstraZeneca Discovery
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CYP2D6 |
J Med Chem 50: 4868-81 (2007)
Article DOI: 10.1021/jm070428+
BindingDB Entry DOI: 10.7270/Q2SX6CX0 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50220017
((5R)-3-(3-fluoro-4-{6-[(4-methyl-1H-imidazol-1-yl)...)Show SMILES Cc1cn(CC(=O)c2ccc(cn2)-c2ccc(cc2F)N2C[C@H](Cn3ccnn3)OC2=O)cn1 Show InChI InChI=1S/C23H20FN7O3/c1-15-10-29(14-26-15)13-22(32)21-5-2-16(9-25-21)19-4-3-17(8-20(19)24)31-12-18(34-23(31)33)11-30-7-6-27-28-30/h2-10,14,18H,11-13H2,1H3/t18-/m0/s1 | 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 |
AstraZeneca Discovery
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CYP2C9 |
J Med Chem 50: 4868-81 (2007)
Article DOI: 10.1021/jm070428+
BindingDB Entry DOI: 10.7270/Q2SX6CX0 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50220017
((5R)-3-(3-fluoro-4-{6-[(4-methyl-1H-imidazol-1-yl)...)Show SMILES Cc1cn(CC(=O)c2ccc(cn2)-c2ccc(cc2F)N2C[C@H](Cn3ccnn3)OC2=O)cn1 Show InChI InChI=1S/C23H20FN7O3/c1-15-10-29(14-26-15)13-22(32)21-5-2-16(9-25-21)19-4-3-17(8-20(19)24)31-12-18(34-23(31)33)11-30-7-6-27-28-30/h2-10,14,18H,11-13H2,1H3/t18-/m0/s1 | 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 |
AstraZeneca Discovery
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CYP3A4 |
J Med Chem 50: 4868-81 (2007)
Article DOI: 10.1021/jm070428+
BindingDB Entry DOI: 10.7270/Q2SX6CX0 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50220017
((5R)-3-(3-fluoro-4-{6-[(4-methyl-1H-imidazol-1-yl)...)Show SMILES Cc1cn(CC(=O)c2ccc(cn2)-c2ccc(cc2F)N2C[C@H](Cn3ccnn3)OC2=O)cn1 Show InChI InChI=1S/C23H20FN7O3/c1-15-10-29(14-26-15)13-22(32)21-5-2-16(9-25-21)19-4-3-17(8-20(19)24)31-12-18(34-23(31)33)11-30-7-6-27-28-30/h2-10,14,18H,11-13H2,1H3/t18-/m0/s1 | PDB
UniProtKB/SwissProt
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 |
AstraZeneca Discovery
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CYP2D6 |
J Med Chem 50: 4868-81 (2007)
Article DOI: 10.1021/jm070428+
BindingDB Entry DOI: 10.7270/Q2SX6CX0 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50220026
((5R)-3-(3-fluoro-4-{6-[(2-methyl-1H-imidazol-1-yl)...)Show SMILES Cc1nccn1CC(=O)c1ccc(cn1)-c1ccc(cc1F)N1C[C@H](Cn2ccnn2)OC1=O Show InChI InChI=1S/C23H20FN7O3/c1-15-25-6-8-29(15)14-22(32)21-5-2-16(11-26-21)19-4-3-17(10-20(19)24)31-13-18(34-23(31)33)12-30-9-7-27-28-30/h2-11,18H,12-14H2,1H3/t18-/m0/s1 | 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 |
AstraZeneca Discovery
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CYP2C19 |
J Med Chem 50: 4868-81 (2007)
Article DOI: 10.1021/jm070428+
BindingDB Entry DOI: 10.7270/Q2SX6CX0 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50220023
((5R)-3-{3-fluoro-4-[6-(1H-imidazol-1-ylacetyl)pyri...)Show SMILES Fc1cc(ccc1-c1ccc(nc1)C(=O)Cn1ccnc1)N1C[C@H](Cn2ccnn2)OC1=O Show InChI InChI=1S/C22H18FN7O3/c23-19-9-16(30-12-17(33-22(30)32)11-29-8-6-26-27-29)2-3-18(19)15-1-4-20(25-10-15)21(31)13-28-7-5-24-14-28/h1-10,14,17H,11-13H2/t17-/m0/s1 | 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 |
AstraZeneca Discovery
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CYP1A2 |
J Med Chem 50: 4868-81 (2007)
Article DOI: 10.1021/jm070428+
BindingDB Entry DOI: 10.7270/Q2SX6CX0 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50220026
((5R)-3-(3-fluoro-4-{6-[(2-methyl-1H-imidazol-1-yl)...)Show SMILES Cc1nccn1CC(=O)c1ccc(cn1)-c1ccc(cc1F)N1C[C@H](Cn2ccnn2)OC1=O Show InChI InChI=1S/C23H20FN7O3/c1-15-25-6-8-29(15)14-22(32)21-5-2-16(11-26-21)19-4-3-17(10-20(19)24)31-13-18(34-23(31)33)12-30-9-7-27-28-30/h2-11,18H,12-14H2,1H3/t18-/m0/s1 | 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 |
AstraZeneca Discovery
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CYP3A4 |
J Med Chem 50: 4868-81 (2007)
Article DOI: 10.1021/jm070428+
BindingDB Entry DOI: 10.7270/Q2SX6CX0 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50220019
((5R)-3-(4-{6-[(2,5-dimethyl-1H-imidazol-1-yl)acety...)Show SMILES Cc1cnc(C)n1CC(=O)c1ccc(cn1)-c1ccc(cc1F)N1C[C@H](Cn2ccnn2)OC1=O Show InChI InChI=1S/C24H22FN7O3/c1-15-10-26-16(2)31(15)14-23(33)22-6-3-17(11-27-22)20-5-4-18(9-21(20)25)32-13-19(35-24(32)34)12-30-8-7-28-29-30/h3-11,19H,12-14H2,1-2H3/t19-/m0/s1 | 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 |
AstraZeneca Discovery
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CYP2C19 |
J Med Chem 50: 4868-81 (2007)
Article DOI: 10.1021/jm070428+
BindingDB Entry DOI: 10.7270/Q2SX6CX0 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50220019
((5R)-3-(4-{6-[(2,5-dimethyl-1H-imidazol-1-yl)acety...)Show SMILES Cc1cnc(C)n1CC(=O)c1ccc(cn1)-c1ccc(cc1F)N1C[C@H](Cn2ccnn2)OC1=O Show InChI InChI=1S/C24H22FN7O3/c1-15-10-26-16(2)31(15)14-23(33)22-6-3-17(11-27-22)20-5-4-18(9-21(20)25)32-13-19(35-24(32)34)12-30-8-7-28-29-30/h3-11,19H,12-14H2,1-2H3/t19-/m0/s1 | 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 |
AstraZeneca Discovery
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CYP2C9 |
J Med Chem 50: 4868-81 (2007)
Article DOI: 10.1021/jm070428+
BindingDB Entry DOI: 10.7270/Q2SX6CX0 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50220023
((5R)-3-{3-fluoro-4-[6-(1H-imidazol-1-ylacetyl)pyri...)Show SMILES Fc1cc(ccc1-c1ccc(nc1)C(=O)Cn1ccnc1)N1C[C@H](Cn2ccnn2)OC1=O Show InChI InChI=1S/C22H18FN7O3/c23-19-9-16(30-12-17(33-22(30)32)11-29-8-6-26-27-29)2-3-18(19)15-1-4-20(25-10-15)21(31)13-28-7-5-24-14-28/h1-10,14,17H,11-13H2/t17-/m0/s1 | PDB
UniProtKB/SwissProt
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 |
AstraZeneca Discovery
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CYP2D6 |
J Med Chem 50: 4868-81 (2007)
Article DOI: 10.1021/jm070428+
BindingDB Entry DOI: 10.7270/Q2SX6CX0 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50220015
((5R)-3-{3-fluoro-4-[6-(hydroxymethyl)pyridin-3-yl]...)Show SMILES OCc1ccc(cn1)-c1ccc(cc1F)N1C[C@H](Cn2ccnn2)OC1=O Show InChI InChI=1S/C18H16FN5O3/c19-17-7-14(3-4-16(17)12-1-2-13(11-25)20-8-12)24-10-15(27-18(24)26)9-23-6-5-21-22-23/h1-8,15,25H,9-11H2/t15-/m0/s1 | 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 |
AstraZeneca Discovery
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CYP2C9 |
J Med Chem 50: 4868-81 (2007)
Article DOI: 10.1021/jm070428+
BindingDB Entry DOI: 10.7270/Q2SX6CX0 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50220026
((5R)-3-(3-fluoro-4-{6-[(2-methyl-1H-imidazol-1-yl)...)Show SMILES Cc1nccn1CC(=O)c1ccc(cn1)-c1ccc(cc1F)N1C[C@H](Cn2ccnn2)OC1=O Show InChI InChI=1S/C23H20FN7O3/c1-15-25-6-8-29(15)14-22(32)21-5-2-16(11-26-21)19-4-3-17(10-20(19)24)31-13-18(34-23(31)33)12-30-9-7-27-28-30/h2-11,18H,12-14H2,1H3/t18-/m0/s1 | PDB
UniProtKB/SwissProt
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 |
AstraZeneca Discovery
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CYP2D6 |
J Med Chem 50: 4868-81 (2007)
Article DOI: 10.1021/jm070428+
BindingDB Entry DOI: 10.7270/Q2SX6CX0 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50220019
((5R)-3-(4-{6-[(2,5-dimethyl-1H-imidazol-1-yl)acety...)Show SMILES Cc1cnc(C)n1CC(=O)c1ccc(cn1)-c1ccc(cc1F)N1C[C@H](Cn2ccnn2)OC1=O Show InChI InChI=1S/C24H22FN7O3/c1-15-10-26-16(2)31(15)14-23(33)22-6-3-17(11-27-22)20-5-4-18(9-21(20)25)32-13-19(35-24(32)34)12-30-8-7-28-29-30/h3-11,19H,12-14H2,1-2H3/t19-/m0/s1 | 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 |
AstraZeneca Discovery
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CYP1A2 |
J Med Chem 50: 4868-81 (2007)
Article DOI: 10.1021/jm070428+
BindingDB Entry DOI: 10.7270/Q2SX6CX0 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50220015
((5R)-3-{3-fluoro-4-[6-(hydroxymethyl)pyridin-3-yl]...)Show SMILES OCc1ccc(cn1)-c1ccc(cc1F)N1C[C@H](Cn2ccnn2)OC1=O Show InChI InChI=1S/C18H16FN5O3/c19-17-7-14(3-4-16(17)12-1-2-13(11-25)20-8-12)24-10-15(27-18(24)26)9-23-6-5-21-22-23/h1-8,15,25H,9-11H2/t15-/m0/s1 | 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 |
AstraZeneca Discovery
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CYP2C19 |
J Med Chem 50: 4868-81 (2007)
Article DOI: 10.1021/jm070428+
BindingDB Entry DOI: 10.7270/Q2SX6CX0 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50220012
((5R)-3-(3-fluoro-4-pyridin-3-ylphenyl)-5-(1H-1,2,3...)Show SMILES Fc1cc(ccc1-c1cccnc1)N1C[C@H](Cn2ccnn2)OC1=O Show InChI InChI=1S/C17H14FN5O2/c18-16-8-13(3-4-15(16)12-2-1-5-19-9-12)23-11-14(25-17(23)24)10-22-7-6-20-21-22/h1-9,14H,10-11H2/t14-/m0/s1 | 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 |
AstraZeneca Discovery
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CYP1A2 |
J Med Chem 50: 4868-81 (2007)
Article DOI: 10.1021/jm070428+
BindingDB Entry DOI: 10.7270/Q2SX6CX0 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50220026
((5R)-3-(3-fluoro-4-{6-[(2-methyl-1H-imidazol-1-yl)...)Show SMILES Cc1nccn1CC(=O)c1ccc(cn1)-c1ccc(cc1F)N1C[C@H](Cn2ccnn2)OC1=O Show InChI InChI=1S/C23H20FN7O3/c1-15-25-6-8-29(15)14-22(32)21-5-2-16(11-26-21)19-4-3-17(10-20(19)24)31-13-18(34-23(31)33)12-30-9-7-27-28-30/h2-11,18H,12-14H2,1H3/t18-/m0/s1 | 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 |
AstraZeneca Discovery
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CYP2C9 |
J Med Chem 50: 4868-81 (2007)
Article DOI: 10.1021/jm070428+
BindingDB Entry DOI: 10.7270/Q2SX6CX0 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50220026
((5R)-3-(3-fluoro-4-{6-[(2-methyl-1H-imidazol-1-yl)...)Show SMILES Cc1nccn1CC(=O)c1ccc(cn1)-c1ccc(cc1F)N1C[C@H](Cn2ccnn2)OC1=O Show InChI InChI=1S/C23H20FN7O3/c1-15-25-6-8-29(15)14-22(32)21-5-2-16(11-26-21)19-4-3-17(10-20(19)24)31-13-18(34-23(31)33)12-30-9-7-27-28-30/h2-11,18H,12-14H2,1H3/t18-/m0/s1 | 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 |
AstraZeneca Discovery
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CYP1A2 |
J Med Chem 50: 4868-81 (2007)
Article DOI: 10.1021/jm070428+
BindingDB Entry DOI: 10.7270/Q2SX6CX0 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50220017
((5R)-3-(3-fluoro-4-{6-[(4-methyl-1H-imidazol-1-yl)...)Show SMILES Cc1cn(CC(=O)c2ccc(cn2)-c2ccc(cc2F)N2C[C@H](Cn3ccnn3)OC2=O)cn1 Show InChI InChI=1S/C23H20FN7O3/c1-15-10-29(14-26-15)13-22(32)21-5-2-16(9-25-21)19-4-3-17(8-20(19)24)31-12-18(34-23(31)33)11-30-7-6-27-28-30/h2-10,14,18H,11-13H2,1H3/t18-/m0/s1 | 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 |
AstraZeneca Discovery
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CYP2C19 |
J Med Chem 50: 4868-81 (2007)
Article DOI: 10.1021/jm070428+
BindingDB Entry DOI: 10.7270/Q2SX6CX0 |
More data for this
Ligand-Target Pair | |
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