Found 12 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 2C19
(Homo sapiens (Human)) | BDBM50433324
(CHEMBL2375371)Show SMILES OC(=O)c1cc(Oc2ccccc2)ccc1NS(=O)(=O)c1ccc(Br)cc1F Show InChI InChI=1S/C19H13BrFNO5S/c20-12-6-9-18(16(21)10-12)28(25,26)22-17-8-7-14(11-15(17)19(23)24)27-13-4-2-1-3-5-13/h1-11,22H,(H,23,24) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
| Article
PubMed
| n/a | n/a | 1.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim (Canada) Ltd
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C19 (unknown origin) |
Bioorg Med Chem Lett 23: 2585-9 (2013)
Article DOI: 10.1016/j.bmcl.2013.02.110
BindingDB Entry DOI: 10.7270/Q2TH8P2F |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50433324
(CHEMBL2375371)Show SMILES OC(=O)c1cc(Oc2ccccc2)ccc1NS(=O)(=O)c1ccc(Br)cc1F Show InChI InChI=1S/C19H13BrFNO5S/c20-12-6-9-18(16(21)10-12)28(25,26)22-17-8-7-14(11-15(17)19(23)24)27-13-4-2-1-3-5-13/h1-11,22H,(H,23,24) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
| Article
PubMed
| n/a | n/a | 1.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim (Canada) Ltd
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C9 (unknown origin) |
Bioorg Med Chem Lett 23: 2585-9 (2013)
Article DOI: 10.1016/j.bmcl.2013.02.110
BindingDB Entry DOI: 10.7270/Q2TH8P2F |
More data for this
Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50433325
(CHEMBL2376577)Show SMILES Cc1ccc(cc1)S(=O)(=O)Nc1ccc(Oc2ccccc2)cc1C(O)=O Show InChI InChI=1S/C20H17NO5S/c1-14-7-10-17(11-8-14)27(24,25)21-19-12-9-16(13-18(19)20(22)23)26-15-5-3-2-4-6-15/h2-13,21H,1H3,(H,22,23) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim (Canada) Ltd
Curated by ChEMBL
| Assay Description
Inhibition of CYP1A2 (unknown origin) |
Bioorg Med Chem Lett 23: 2585-9 (2013)
Article DOI: 10.1016/j.bmcl.2013.02.110
BindingDB Entry DOI: 10.7270/Q2TH8P2F |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50433325
(CHEMBL2376577)Show SMILES Cc1ccc(cc1)S(=O)(=O)Nc1ccc(Oc2ccccc2)cc1C(O)=O Show InChI InChI=1S/C20H17NO5S/c1-14-7-10-17(11-8-14)27(24,25)21-19-12-9-16(13-18(19)20(22)23)26-15-5-3-2-4-6-15/h2-13,21H,1H3,(H,22,23) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim (Canada) Ltd
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C9 (unknown origin) |
Bioorg Med Chem Lett 23: 2585-9 (2013)
Article DOI: 10.1016/j.bmcl.2013.02.110
BindingDB Entry DOI: 10.7270/Q2TH8P2F |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50433326
(CHEMBL2376562)Show SMILES Cc1ccc(cc1)S(=O)(=O)Nc1cc(Oc2ccccc2)ccc1C(O)=O Show InChI InChI=1S/C20H17NO5S/c1-14-7-10-17(11-8-14)27(24,25)21-19-13-16(9-12-18(19)20(22)23)26-15-5-3-2-4-6-15/h2-13,21H,1H3,(H,22,23) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim (Canada) Ltd
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C9 (unknown origin) |
Bioorg Med Chem Lett 23: 2585-9 (2013)
Article DOI: 10.1016/j.bmcl.2013.02.110
BindingDB Entry DOI: 10.7270/Q2TH8P2F |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50433326
(CHEMBL2376562)Show SMILES Cc1ccc(cc1)S(=O)(=O)Nc1cc(Oc2ccccc2)ccc1C(O)=O Show InChI InChI=1S/C20H17NO5S/c1-14-7-10-17(11-8-14)27(24,25)21-19-13-16(9-12-18(19)20(22)23)26-15-5-3-2-4-6-15/h2-13,21H,1H3,(H,22,23) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim (Canada) Ltd
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C19 (unknown origin) |
Bioorg Med Chem Lett 23: 2585-9 (2013)
Article DOI: 10.1016/j.bmcl.2013.02.110
BindingDB Entry DOI: 10.7270/Q2TH8P2F |
More data for this
Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50433326
(CHEMBL2376562)Show SMILES Cc1ccc(cc1)S(=O)(=O)Nc1cc(Oc2ccccc2)ccc1C(O)=O Show InChI InChI=1S/C20H17NO5S/c1-14-7-10-17(11-8-14)27(24,25)21-19-13-16(9-12-18(19)20(22)23)26-15-5-3-2-4-6-15/h2-13,21H,1H3,(H,22,23) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim (Canada) Ltd
Curated by ChEMBL
| Assay Description
Inhibition of CYP1A2 (unknown origin) |
Bioorg Med Chem Lett 23: 2585-9 (2013)
Article DOI: 10.1016/j.bmcl.2013.02.110
BindingDB Entry DOI: 10.7270/Q2TH8P2F |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50433324
(CHEMBL2375371)Show SMILES OC(=O)c1cc(Oc2ccccc2)ccc1NS(=O)(=O)c1ccc(Br)cc1F Show InChI InChI=1S/C19H13BrFNO5S/c20-12-6-9-18(16(21)10-12)28(25,26)22-17-8-7-14(11-15(17)19(23)24)27-13-4-2-1-3-5-13/h1-11,22H,(H,23,24) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim (Canada) Ltd
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 (unknown origin) |
Bioorg Med Chem Lett 23: 2585-9 (2013)
Article DOI: 10.1016/j.bmcl.2013.02.110
BindingDB Entry DOI: 10.7270/Q2TH8P2F |
More data for this
Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50433324
(CHEMBL2375371)Show SMILES OC(=O)c1cc(Oc2ccccc2)ccc1NS(=O)(=O)c1ccc(Br)cc1F Show InChI InChI=1S/C19H13BrFNO5S/c20-12-6-9-18(16(21)10-12)28(25,26)22-17-8-7-14(11-15(17)19(23)24)27-13-4-2-1-3-5-13/h1-11,22H,(H,23,24) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim (Canada) Ltd
Curated by ChEMBL
| Assay Description
Inhibition of CYP1A2 (unknown origin) |
Bioorg Med Chem Lett 23: 2585-9 (2013)
Article DOI: 10.1016/j.bmcl.2013.02.110
BindingDB Entry DOI: 10.7270/Q2TH8P2F |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50433326
(CHEMBL2376562)Show SMILES Cc1ccc(cc1)S(=O)(=O)Nc1cc(Oc2ccccc2)ccc1C(O)=O Show InChI InChI=1S/C20H17NO5S/c1-14-7-10-17(11-8-14)27(24,25)21-19-13-16(9-12-18(19)20(22)23)26-15-5-3-2-4-6-15/h2-13,21H,1H3,(H,22,23) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim (Canada) Ltd
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 (unknown origin) |
Bioorg Med Chem Lett 23: 2585-9 (2013)
Article DOI: 10.1016/j.bmcl.2013.02.110
BindingDB Entry DOI: 10.7270/Q2TH8P2F |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50433325
(CHEMBL2376577)Show SMILES Cc1ccc(cc1)S(=O)(=O)Nc1ccc(Oc2ccccc2)cc1C(O)=O Show InChI InChI=1S/C20H17NO5S/c1-14-7-10-17(11-8-14)27(24,25)21-19-12-9-16(13-18(19)20(22)23)26-15-5-3-2-4-6-15/h2-13,21H,1H3,(H,22,23) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim (Canada) Ltd
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C19 (unknown origin) |
Bioorg Med Chem Lett 23: 2585-9 (2013)
Article DOI: 10.1016/j.bmcl.2013.02.110
BindingDB Entry DOI: 10.7270/Q2TH8P2F |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50433325
(CHEMBL2376577)Show SMILES Cc1ccc(cc1)S(=O)(=O)Nc1ccc(Oc2ccccc2)cc1C(O)=O Show InChI InChI=1S/C20H17NO5S/c1-14-7-10-17(11-8-14)27(24,25)21-19-12-9-16(13-18(19)20(22)23)26-15-5-3-2-4-6-15/h2-13,21H,1H3,(H,22,23) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim (Canada) Ltd
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 (unknown origin) |
Bioorg Med Chem Lett 23: 2585-9 (2013)
Article DOI: 10.1016/j.bmcl.2013.02.110
BindingDB Entry DOI: 10.7270/Q2TH8P2F |
More data for this
Ligand-Target Pair | |
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