Found 7 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 |
|---|
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50348420
(CHEMBL1800951)Show SMILES CN(C)S(=O)(=O)N1CC[C@H](C1)Oc1cc(F)cc(NC(=O)Nc2cccnc2)c1 |r| Show InChI InChI=1S/C18H22FN5O4S/c1-23(2)29(26,27)24-7-5-16(12-24)28-17-9-13(19)8-15(10-17)22-18(25)21-14-4-3-6-20-11-14/h3-4,6,8-11,16H,5,7,12H2,1-2H3,(H2,21,22,25)/t16-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | 60 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of CYP1A2 |
ACS Med Chem Lett 1: 472-477 (2010)
Article DOI: 10.1021/ml100138q
BindingDB Entry DOI: 10.7270/Q2VX0GW4 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50348418
(CHEMBL1800931)Show SMILES CC(=O)N1CCC[C@H](C1)Oc1cc(F)cc(NC(=O)Nc2cccnc2)c1 |r| Show InChI InChI=1S/C19H21FN4O3/c1-13(25)24-7-3-5-17(12-24)27-18-9-14(20)8-16(10-18)23-19(26)22-15-4-2-6-21-11-15/h2,4,6,8-11,17H,3,5,7,12H2,1H3,(H2,22,23,26)/t17-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 80 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of CYP1A2 |
ACS Med Chem Lett 1: 472-477 (2010)
Article DOI: 10.1021/ml100138q
BindingDB Entry DOI: 10.7270/Q2VX0GW4 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50348421
(CHEMBL1800953)Show SMILES COC(=O)N1CCN(Cc2cc(F)cc(NC(=O)Nc3ccc(C)nc3)c2)CC1 Show InChI InChI=1S/C20H24FN5O3/c1-14-3-4-17(12-22-14)23-19(27)24-18-10-15(9-16(21)11-18)13-25-5-7-26(8-6-25)20(28)29-2/h3-4,9-12H,5-8,13H2,1-2H3,(H2,23,24,27) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of CYP1A2 |
ACS Med Chem Lett 1: 472-477 (2010)
Article DOI: 10.1021/ml100138q
BindingDB Entry DOI: 10.7270/Q2VX0GW4 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50348423
(CHEMBL1800955)Show SMILES COC(=O)N1CCN(Cc2cccc(NC(=O)Nc3ccc(C)nc3)c2F)CC1 Show InChI InChI=1S/C20H24FN5O3/c1-14-6-7-16(12-22-14)23-19(27)24-17-5-3-4-15(18(17)21)13-25-8-10-26(11-9-25)20(28)29-2/h3-7,12H,8-11,13H2,1-2H3,(H2,23,24,27) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of CYP1A2 |
ACS Med Chem Lett 1: 472-477 (2010)
Article DOI: 10.1021/ml100138q
BindingDB Entry DOI: 10.7270/Q2VX0GW4 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50348424
(CHEMBL1800952)Show SMILES COC(=O)N1CCC(CC1)Oc1cc(F)cc(NC(=O)Nc2ccc(C)nc2)c1 Show InChI InChI=1S/C20H23FN4O4/c1-13-3-4-15(12-22-13)23-19(26)24-16-9-14(21)10-18(11-16)29-17-5-7-25(8-6-17)20(27)28-2/h3-4,9-12,17H,5-8H2,1-2H3,(H2,23,24,26) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of CYP1A2 |
ACS Med Chem Lett 1: 472-477 (2010)
Article DOI: 10.1021/ml100138q
BindingDB Entry DOI: 10.7270/Q2VX0GW4 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50348422
(CHEMBL1800954)Show SMILES COC(=O)N1CCN(Cc2cccc(NC(=O)Nc3ccc(C)nc3)c2)CC1 Show InChI InChI=1S/C20H25N5O3/c1-15-6-7-18(13-21-15)23-19(26)22-17-5-3-4-16(12-17)14-24-8-10-25(11-9-24)20(27)28-2/h3-7,12-13H,8-11,14H2,1-2H3,(H2,22,23,26) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of CYP1A2 |
ACS Med Chem Lett 1: 472-477 (2010)
Article DOI: 10.1021/ml100138q
BindingDB Entry DOI: 10.7270/Q2VX0GW4 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50348419
(CHEMBL1800933)Show SMILES CC(=O)N1CCC[C@H](C1)Oc1cc(F)cc(NC(=O)Nc2ccc(C)nc2)c1 |r| Show InChI InChI=1S/C20H23FN4O3/c1-13-5-6-16(11-22-13)23-20(27)24-17-8-15(21)9-19(10-17)28-18-4-3-7-25(12-18)14(2)26/h5-6,8-11,18H,3-4,7,12H2,1-2H3,(H2,23,24,27)/t18-/m1/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 | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of CYP1A2 |
ACS Med Chem Lett 1: 472-477 (2010)
Article DOI: 10.1021/ml100138q
BindingDB Entry DOI: 10.7270/Q2VX0GW4 |
More data for this
Ligand-Target Pair | |
Search and Browse
