Found 11 hits Enz. Inhib. hit(s) with all data for assayid = 6 entry = 50040728 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 |
|---|
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50399035
(CHEMBL2178249)Show InChI InChI=1S/C18H12ClN5O/c19-13-4-1-3-12(9-13)14-10-20-7-5-16(14)23-18(25)15-11-22-24-8-2-6-21-17(15)24/h1-11H,(H,20,23,25) | 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 | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 |
J Med Chem 55: 10090-107 (2012)
Article DOI: 10.1021/jm3012239
BindingDB Entry DOI: 10.7270/Q2Q241D4 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50399038
(CHEMBL2178806)Show SMILES Cc1cc(NC(=O)c2cnn3cccnc23)n(n1)-c1cccc(Cl)c1 Show InChI InChI=1S/C17H13ClN6O/c1-11-8-15(24(22-11)13-5-2-4-12(18)9-13)21-17(25)14-10-20-23-7-3-6-19-16(14)23/h2-10H,1H3,(H,21,25) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 |
J Med Chem 55: 10090-107 (2012)
Article DOI: 10.1021/jm3012239
BindingDB Entry DOI: 10.7270/Q2Q241D4 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50399030
(CHEMBL2178258)Show SMILES Cc1nc(c(NC(=O)c2cnn3ccc(N)nc23)s1)-c1cccc(Cl)c1 Show InChI InChI=1S/C17H13ClN6OS/c1-9-21-14(10-3-2-4-11(18)7-10)17(26-9)23-16(25)12-8-20-24-6-5-13(19)22-15(12)24/h2-8H,1H3,(H2,19,22)(H,23,25) | 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 | 6.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 |
J Med Chem 55: 10090-107 (2012)
Article DOI: 10.1021/jm3012239
BindingDB Entry DOI: 10.7270/Q2Q241D4 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50399034
(CHEMBL2178253)Show InChI InChI=1S/C16H11ClN6O/c17-11-4-1-3-10(7-11)14-13(9-19-22-14)21-16(24)12-8-20-23-6-2-5-18-15(12)23/h1-9H,(H,19,22)(H,21,24) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 |
J Med Chem 55: 10090-107 (2012)
Article DOI: 10.1021/jm3012239
BindingDB Entry DOI: 10.7270/Q2Q241D4 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50399009
(CHEMBL2178254)Show SMILES Cn1cc(NC(=O)c2cnn3ccc(N)nc23)c(n1)-c1cccc(Cl)c1 Show InChI InChI=1S/C17H14ClN7O/c1-24-9-13(15(23-24)10-3-2-4-11(18)7-10)21-17(26)12-8-20-25-6-5-14(19)22-16(12)25/h2-9H,1H3,(H2,19,22)(H,21,26) | 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 | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 |
J Med Chem 55: 10090-107 (2012)
Article DOI: 10.1021/jm3012239
BindingDB Entry DOI: 10.7270/Q2Q241D4 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50399012
(CHEMBL2178250)Show SMILES Cc1cc(NC(=O)c2cnn3cccnc23)c(cn1)-c1cccc(Cl)c1 Show InChI InChI=1S/C19H14ClN5O/c1-12-8-17(15(10-22-12)13-4-2-5-14(20)9-13)24-19(26)16-11-23-25-7-3-6-21-18(16)25/h2-11H,1H3,(H,22,24,26) | 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 | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 |
J Med Chem 55: 10090-107 (2012)
Article DOI: 10.1021/jm3012239
BindingDB Entry DOI: 10.7270/Q2Q241D4 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50399010
(CHEMBL2178252)Show SMILES Cn1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cccc(Cl)c1 Show InChI InChI=1S/C17H13ClN6O/c1-23-10-14(15(22-23)11-4-2-5-12(18)8-11)21-17(25)13-9-20-24-7-3-6-19-16(13)24/h2-10H,1H3,(H,21,25) | 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 | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 |
J Med Chem 55: 10090-107 (2012)
Article DOI: 10.1021/jm3012239
BindingDB Entry DOI: 10.7270/Q2Q241D4 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50399036
(CHEMBL2178247)Show SMILES CNc1ccn2ncc(C(=O)Nc3cc(C)nn3-c3cccc(Cl)c3)c2n1 Show InChI InChI=1S/C18H16ClN7O/c1-11-8-16(26(24-11)13-5-3-4-12(19)9-13)23-18(27)14-10-21-25-7-6-15(20-2)22-17(14)25/h3-10H,1-2H3,(H,20,22)(H,23,27) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 |
J Med Chem 55: 10090-107 (2012)
Article DOI: 10.1021/jm3012239
BindingDB Entry DOI: 10.7270/Q2Q241D4 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50399013
(CHEMBL2178248)Show InChI InChI=1S/C18H12ClN5O/c19-13-5-1-4-12(10-13)16-15(6-2-7-20-16)23-18(25)14-11-22-24-9-3-8-21-17(14)24/h1-11H,(H,23,25) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 |
J Med Chem 55: 10090-107 (2012)
Article DOI: 10.1021/jm3012239
BindingDB Entry DOI: 10.7270/Q2Q241D4 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50399011
(CHEMBL2178251)Show SMILES Cn1cc(c(NC(=O)c2cnn3cccnc23)n1)-c1cccc(Cl)c1 Show InChI InChI=1S/C17H13ClN6O/c1-23-10-14(11-4-2-5-12(18)8-11)15(22-23)21-17(25)13-9-20-24-7-3-6-19-16(13)24/h2-10H,1H3,(H,21,22,25) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 |
J Med Chem 55: 10090-107 (2012)
Article DOI: 10.1021/jm3012239
BindingDB Entry DOI: 10.7270/Q2Q241D4 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50399037
(CHEMBL2178807)Show SMILES Cc1cc(NC(=O)c2cnn3ccc(N)nc23)n(n1)-c1cccc(Cl)c1 Show InChI InChI=1S/C17H14ClN7O/c1-10-7-15(25(23-10)12-4-2-3-11(18)8-12)22-17(26)13-9-20-24-6-5-14(19)21-16(13)24/h2-9H,1H3,(H2,19,21)(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 | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 |
J Med Chem 55: 10090-107 (2012)
Article DOI: 10.1021/jm3012239
BindingDB Entry DOI: 10.7270/Q2Q241D4 |
More data for this
Ligand-Target Pair | |
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