BindingDB logo
myBDB logout

7 similar compounds to monomer 50356595

Compile data set for download or QSAR
Wt: 423.2
BDBM50356596
Wt: 416.2
BDBM50356597
Wt: 432.7
BDBM50356598
Wt: 412.3
BDBM50356599
Wt: 412.3
BDBM50356600
Wt: 428.3
BDBM50356602
Wt: 398.2
BDBM50356603

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 27 hits for monomerid = 50356596,50356597,50356598,50356599,50356600,50356602,50356603   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50356596
PNG
(CHEMBL1910108)
Show SMILES Cc1nc2C(=O)N(Cc2c(c1CN)-c1ccc(Cl)cc1Cl)c1ccc(cc1)C#N
Show InChI InChI=1S/C22H16Cl2N4O/c1-12-17(10-26)20(16-7-4-14(23)8-19(16)24)18-11-28(22(29)21(18)27-12)15-5-2-13(9-25)3-6-15/h2-8H,10-11,26H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
4n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of DPP4


Bioorg Med Chem Lett 21: 6646-51 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.074
BindingDB Entry DOI: 10.7270/Q28W3DQK
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50356603
PNG
(CHEMBL1909988)
Show SMILES Cc1nc2C(=O)N(Cc2c(c1CN)-c1ccc(Cl)cc1Cl)c1ccccc1
Show InChI InChI=1S/C21H17Cl2N3O/c1-12-16(10-24)19(15-8-7-13(22)9-18(15)23)17-11-26(21(27)20(17)25-12)14-5-3-2-4-6-14/h2-9H,10-11,24H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
8n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of DPP4


Bioorg Med Chem Lett 21: 6646-51 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.074
BindingDB Entry DOI: 10.7270/Q28W3DQK
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50356597
PNG
(CHEMBL1910107)
Show SMILES Cc1nc2C(=O)N(Cc2c(c1CN)-c1ccc(Cl)cc1Cl)c1ccc(F)cc1
Show InChI InChI=1S/C21H16Cl2FN3O/c1-11-16(9-25)19(15-7-2-12(22)8-18(15)23)17-10-27(21(28)20(17)26-11)14-5-3-13(24)4-6-14/h2-8H,9-10,25H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
9n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of DPP4


Bioorg Med Chem Lett 21: 6646-51 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.074
BindingDB Entry DOI: 10.7270/Q28W3DQK
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50356599
PNG
(CHEMBL1909993)
Show SMILES Cc1ccccc1N1Cc2c(nc(C)c(CN)c2-c2ccc(Cl)cc2Cl)C1=O
Show InChI InChI=1S/C22H19Cl2N3O/c1-12-5-3-4-6-19(12)27-11-17-20(15-8-7-14(23)9-18(15)24)16(10-25)13(2)26-21(17)22(27)28/h3-9H,10-11,25H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
9n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of DPP4


Bioorg Med Chem Lett 21: 6646-51 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.074
BindingDB Entry DOI: 10.7270/Q28W3DQK
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50356602
PNG
(CHEMBL1909989)
Show SMILES COc1ccc(cc1)N1Cc2c(nc(C)c(CN)c2-c2ccc(Cl)cc2Cl)C1=O
Show InChI InChI=1S/C22H19Cl2N3O2/c1-12-17(10-25)20(16-8-3-13(23)9-19(16)24)18-11-27(22(28)21(18)26-12)14-4-6-15(29-2)7-5-14/h3-9H,10-11,25H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
11n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of DPP4


Bioorg Med Chem Lett 21: 6646-51 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.074
BindingDB Entry DOI: 10.7270/Q28W3DQK
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50356600
PNG
(CHEMBL1909992)
Show SMILES Cc1ccc(cc1)N1Cc2c(nc(C)c(CN)c2-c2ccc(Cl)cc2Cl)C1=O
Show InChI InChI=1S/C22H19Cl2N3O/c1-12-3-6-15(7-4-12)27-11-18-20(16-8-5-14(23)9-19(16)24)17(10-25)13(2)26-21(18)22(27)28/h3-9H,10-11,25H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
12n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of DPP4


Bioorg Med Chem Lett 21: 6646-51 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.074
BindingDB Entry DOI: 10.7270/Q28W3DQK
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50356598
PNG
(CHEMBL1909994)
Show SMILES Cc1nc2C(=O)N(Cc2c(c1CN)-c1ccc(Cl)cc1Cl)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H16Cl3N3O/c1-11-16(9-25)19(15-7-4-13(23)8-18(15)24)17-10-27(21(28)20(17)26-11)14-5-2-12(22)3-6-14/h2-8H,9-10,25H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
18n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of DPP4


Bioorg Med Chem Lett 21: 6646-51 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.074
BindingDB Entry DOI: 10.7270/Q28W3DQK
More data for this
Ligand-Target Pair
Dipeptidyl peptidase VIII


(Homo sapiens (Human))
BDBM50356596
PNG
(CHEMBL1910108)
Show SMILES Cc1nc2C(=O)N(Cc2c(c1CN)-c1ccc(Cl)cc1Cl)c1ccc(cc1)C#N
Show InChI InChI=1S/C22H16Cl2N4O/c1-12-17(10-26)20(16-7-4-14(23)8-19(16)24)18-11-28(22(29)21(18)27-12)15-5-2-13(9-25)3-6-15/h2-8H,10-11,26H2,1H3
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
675n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of DPP8


Bioorg Med Chem Lett 21: 6646-51 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.074
BindingDB Entry DOI: 10.7270/Q28W3DQK
More data for this
Ligand-Target Pair
Dipeptidyl peptidase VIII


(Homo sapiens (Human))
BDBM50356602
PNG
(CHEMBL1909989)
Show SMILES COc1ccc(cc1)N1Cc2c(nc(C)c(CN)c2-c2ccc(Cl)cc2Cl)C1=O
Show InChI InChI=1S/C22H19Cl2N3O2/c1-12-17(10-25)20(16-8-3-13(23)9-19(16)24)18-11-27(22(28)21(18)26-12)14-4-6-15(29-2)7-5-14/h3-9H,10-11,25H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
688n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of DPP8


Bioorg Med Chem Lett 21: 6646-51 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.074
BindingDB Entry DOI: 10.7270/Q28W3DQK
More data for this
Ligand-Target Pair
Dipeptidyl peptidase IX


(Homo sapiens (Human))
BDBM50356602
PNG
(CHEMBL1909989)
Show SMILES COc1ccc(cc1)N1Cc2c(nc(C)c(CN)c2-c2ccc(Cl)cc2Cl)C1=O
Show InChI InChI=1S/C22H19Cl2N3O2/c1-12-17(10-25)20(16-8-3-13(23)9-19(16)24)18-11-27(22(28)21(18)26-12)14-4-6-15(29-2)7-5-14/h3-9H,10-11,25H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
971n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of DPP9


Bioorg Med Chem Lett 21: 6646-51 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.074
BindingDB Entry DOI: 10.7270/Q28W3DQK
More data for this
Ligand-Target Pair
Dipeptidyl peptidase VIII


(Homo sapiens (Human))
BDBM50356599
PNG
(CHEMBL1909993)
Show SMILES Cc1ccccc1N1Cc2c(nc(C)c(CN)c2-c2ccc(Cl)cc2Cl)C1=O
Show InChI InChI=1S/C22H19Cl2N3O/c1-12-5-3-4-6-19(12)27-11-17-20(15-8-7-14(23)9-18(15)24)16(10-25)13(2)26-21(17)22(27)28/h3-9H,10-11,25H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
1.04E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of DPP8


Bioorg Med Chem Lett 21: 6646-51 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.074
BindingDB Entry DOI: 10.7270/Q28W3DQK
More data for this
Ligand-Target Pair
Dipeptidyl peptidase IX


(Homo sapiens (Human))
BDBM50356596
PNG
(CHEMBL1910108)
Show SMILES Cc1nc2C(=O)N(Cc2c(c1CN)-c1ccc(Cl)cc1Cl)c1ccc(cc1)C#N
Show InChI InChI=1S/C22H16Cl2N4O/c1-12-17(10-26)20(16-7-4-14(23)8-19(16)24)18-11-28(22(29)21(18)27-12)15-5-2-13(9-25)3-6-15/h2-8H,10-11,26H2,1H3
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.06E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of DPP9


Bioorg Med Chem Lett 21: 6646-51 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.074
BindingDB Entry DOI: 10.7270/Q28W3DQK
More data for this
Ligand-Target Pair
Dipeptidyl peptidase VIII


(Homo sapiens (Human))
BDBM50356600
PNG
(CHEMBL1909992)
Show SMILES Cc1ccc(cc1)N1Cc2c(nc(C)c(CN)c2-c2ccc(Cl)cc2Cl)C1=O
Show InChI InChI=1S/C22H19Cl2N3O/c1-12-3-6-15(7-4-12)27-11-18-20(16-8-5-14(23)9-19(16)24)17(10-25)13(2)26-21(18)22(27)28/h3-9H,10-11,25H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
1.08E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of DPP8


Bioorg Med Chem Lett 21: 6646-51 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.074
BindingDB Entry DOI: 10.7270/Q28W3DQK
More data for this
Ligand-Target Pair
Dipeptidyl peptidase VIII


(Homo sapiens (Human))
BDBM50356598
PNG
(CHEMBL1909994)
Show SMILES Cc1nc2C(=O)N(Cc2c(c1CN)-c1ccc(Cl)cc1Cl)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H16Cl3N3O/c1-11-16(9-25)19(15-7-4-13(23)8-18(15)24)17-10-27(21(28)20(17)26-11)14-5-2-12(22)3-6-14/h2-8H,9-10,25H2,1H3
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
1.17E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of DPP8


Bioorg Med Chem Lett 21: 6646-51 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.074
BindingDB Entry DOI: 10.7270/Q28W3DQK
More data for this
Ligand-Target Pair
Dipeptidyl peptidase IX


(Homo sapiens (Human))
BDBM50356600
PNG
(CHEMBL1909992)
Show SMILES Cc1ccc(cc1)N1Cc2c(nc(C)c(CN)c2-c2ccc(Cl)cc2Cl)C1=O
Show InChI InChI=1S/C22H19Cl2N3O/c1-12-3-6-15(7-4-12)27-11-18-20(16-8-5-14(23)9-19(16)24)17(10-25)13(2)26-21(18)22(27)28/h3-9H,10-11,25H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
1.46E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of DPP9


Bioorg Med Chem Lett 21: 6646-51 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.074
BindingDB Entry DOI: 10.7270/Q28W3DQK
More data for this
Ligand-Target Pair
Dipeptidyl peptidase IX


(Homo sapiens (Human))
BDBM50356598
PNG
(CHEMBL1909994)
Show SMILES Cc1nc2C(=O)N(Cc2c(c1CN)-c1ccc(Cl)cc1Cl)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H16Cl3N3O/c1-11-16(9-25)19(15-7-4-13(23)8-18(15)24)17-10-27(21(28)20(17)26-11)14-5-2-12(22)3-6-14/h2-8H,9-10,25H2,1H3
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
2.23E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of DPP9


Bioorg Med Chem Lett 21: 6646-51 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.074
BindingDB Entry DOI: 10.7270/Q28W3DQK
More data for this
Ligand-Target Pair
Dipeptidyl peptidase IX


(Homo sapiens (Human))
BDBM50356597
PNG
(CHEMBL1910107)
Show SMILES Cc1nc2C(=O)N(Cc2c(c1CN)-c1ccc(Cl)cc1Cl)c1ccc(F)cc1
Show InChI InChI=1S/C21H16Cl2FN3O/c1-11-16(9-25)19(15-7-2-12(22)8-18(15)23)17-10-27(21(28)20(17)26-11)14-5-3-13(24)4-6-14/h2-8H,9-10,25H2,1H3
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
2.31E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of DPP9


Bioorg Med Chem Lett 21: 6646-51 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.074
BindingDB Entry DOI: 10.7270/Q28W3DQK
More data for this
Ligand-Target Pair
Dipeptidyl peptidase IX


(Homo sapiens (Human))
BDBM50356599
PNG
(CHEMBL1909993)
Show SMILES Cc1ccccc1N1Cc2c(nc(C)c(CN)c2-c2ccc(Cl)cc2Cl)C1=O
Show InChI InChI=1S/C22H19Cl2N3O/c1-12-5-3-4-6-19(12)27-11-17-20(15-8-7-14(23)9-18(15)24)16(10-25)13(2)26-21(17)22(27)28/h3-9H,10-11,25H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
2.94E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of DPP9


Bioorg Med Chem Lett 21: 6646-51 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.074
BindingDB Entry DOI: 10.7270/Q28W3DQK
More data for this
Ligand-Target Pair
Dipeptidyl peptidase VIII


(Homo sapiens (Human))
BDBM50356597
PNG
(CHEMBL1910107)
Show SMILES Cc1nc2C(=O)N(Cc2c(c1CN)-c1ccc(Cl)cc1Cl)c1ccc(F)cc1
Show InChI InChI=1S/C21H16Cl2FN3O/c1-11-16(9-25)19(15-7-2-12(22)8-18(15)23)17-10-27(21(28)20(17)26-11)14-5-3-13(24)4-6-14/h2-8H,9-10,25H2,1H3
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
3.82E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of DPP8


Bioorg Med Chem Lett 21: 6646-51 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.074
BindingDB Entry DOI: 10.7270/Q28W3DQK
More data for this
Ligand-Target Pair
Dipeptidyl peptidase IX


(Homo sapiens (Human))
BDBM50356603
PNG
(CHEMBL1909988)
Show SMILES Cc1nc2C(=O)N(Cc2c(c1CN)-c1ccc(Cl)cc1Cl)c1ccccc1
Show InChI InChI=1S/C21H17Cl2N3O/c1-12-16(10-24)19(15-8-7-13(22)9-18(15)23)17-11-26(21(27)20(17)25-12)14-5-3-2-4-6-14/h2-9H,10-11,24H2,1H3
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
3.84E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of DPP9


Bioorg Med Chem Lett 21: 6646-51 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.074
BindingDB Entry DOI: 10.7270/Q28W3DQK
More data for this
Ligand-Target Pair
Dipeptidyl peptidase VIII


(Homo sapiens (Human))
BDBM50356603
PNG
(CHEMBL1909988)
Show SMILES Cc1nc2C(=O)N(Cc2c(c1CN)-c1ccc(Cl)cc1Cl)c1ccccc1
Show InChI InChI=1S/C21H17Cl2N3O/c1-12-16(10-24)19(15-8-7-13(22)9-18(15)23)17-11-26(21(27)20(17)25-12)14-5-3-2-4-6-14/h2-9H,10-11,24H2,1H3
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
4.50E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of DPP8


Bioorg Med Chem Lett 21: 6646-51 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.074
BindingDB Entry DOI: 10.7270/Q28W3DQK
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM50356603
PNG
(CHEMBL1909988)
Show SMILES Cc1nc2C(=O)N(Cc2c(c1CN)-c1ccc(Cl)cc1Cl)c1ccccc1
Show InChI InChI=1S/C21H17Cl2N3O/c1-12-16(10-24)19(15-8-7-13(22)9-18(15)23)17-11-26(21(27)20(17)25-12)14-5-3-2-4-6-14/h2-9H,10-11,24H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 1.20E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 in presence of the substrate 7-bezyloxy-4-trifluoromethyl coumarin


Bioorg Med Chem Lett 21: 6646-51 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.074
BindingDB Entry DOI: 10.7270/Q28W3DQK
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM50356602
PNG
(CHEMBL1909989)
Show SMILES COc1ccc(cc1)N1Cc2c(nc(C)c(CN)c2-c2ccc(Cl)cc2Cl)C1=O
Show InChI InChI=1S/C22H19Cl2N3O2/c1-12-17(10-25)20(16-8-3-13(23)9-19(16)24)18-11-27(22(28)21(18)26-12)14-4-6-15(29-2)7-5-14/h3-9H,10-11,25H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 2.50E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 in presence of the substrate 7-bezyloxy-4-trifluoromethyl coumarin


Bioorg Med Chem Lett 21: 6646-51 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.074
BindingDB Entry DOI: 10.7270/Q28W3DQK
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM50356600
PNG
(CHEMBL1909992)
Show SMILES Cc1ccc(cc1)N1Cc2c(nc(C)c(CN)c2-c2ccc(Cl)cc2Cl)C1=O
Show InChI InChI=1S/C22H19Cl2N3O/c1-12-3-6-15(7-4-12)27-11-18-20(16-8-5-14(23)9-19(16)24)17(10-25)13(2)26-21(18)22(27)28/h3-9H,10-11,25H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 270n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 in presence of the substrate 7-bezyloxy-4-trifluoromethyl coumarin


Bioorg Med Chem Lett 21: 6646-51 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.074
BindingDB Entry DOI: 10.7270/Q28W3DQK
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM50356598
PNG
(CHEMBL1909994)
Show SMILES Cc1nc2C(=O)N(Cc2c(c1CN)-c1ccc(Cl)cc1Cl)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H16Cl3N3O/c1-11-16(9-25)19(15-7-4-13(23)8-18(15)24)17-10-27(21(28)20(17)26-11)14-5-2-12(22)3-6-14/h2-8H,9-10,25H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 390n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 in presence of the substrate 7-bezyloxy-4-trifluoromethyl coumarin


Bioorg Med Chem Lett 21: 6646-51 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.074
BindingDB Entry DOI: 10.7270/Q28W3DQK
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM50356597
PNG
(CHEMBL1910107)
Show SMILES Cc1nc2C(=O)N(Cc2c(c1CN)-c1ccc(Cl)cc1Cl)c1ccc(F)cc1
Show InChI InChI=1S/C21H16Cl2FN3O/c1-11-16(9-25)19(15-7-2-12(22)8-18(15)23)17-10-27(21(28)20(17)26-11)14-5-3-13(24)4-6-14/h2-8H,9-10,25H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 1.40E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 in presence of the substrate 7-bezyloxy-4-trifluoromethyl coumarin


Bioorg Med Chem Lett 21: 6646-51 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.074
BindingDB Entry DOI: 10.7270/Q28W3DQK
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM50356596
PNG
(CHEMBL1910108)
Show SMILES Cc1nc2C(=O)N(Cc2c(c1CN)-c1ccc(Cl)cc1Cl)c1ccc(cc1)C#N
Show InChI InChI=1S/C22H16Cl2N4O/c1-12-17(10-26)20(16-7-4-14(23)8-19(16)24)18-11-28(22(29)21(18)27-12)15-5-2-13(9-25)3-6-15/h2-8H,10-11,26H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 670n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 in presence of the substrate 7-bezyloxy-4-trifluoromethyl coumarin


Bioorg Med Chem Lett 21: 6646-51 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.074
BindingDB Entry DOI: 10.7270/Q28W3DQK
More data for this
Ligand-Target Pair