Compile Data Set for Download or QSAR

Found 145 hits Enz. Inhib. hit(s) with all data for entry = 50043388   

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
Focal adhesion kinase 1 (Homo sapiens (Human))	BDBM50318884 (CHEMBL1084546 | CHEMBL2430359 | N-methyl-N-(3-((2-...) Show SMILES CN(c1ncccc1CNc1nc(Nc2ccc3NC(=O)Cc3c2)ncc1C(F)(F)F)S(C)(=O)=O Show InChI InChI=1S/C21H20F3N7O3S/c1-31(35(2,33)34)19-12(4-3-7-25-19)10-26-18-15(21(22,23)24)11-27-20(30-18)28-14-5-6-16-13(8-14)9-17(32)29-16/h3-8,11H,9-10H2,1-2H3,(H,29,32)(H2,26,27,28,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
Merck KGaA Curated by ChEMBL					Assay Description Competitive binding affinity to FAK kinase domain (410 to 689) (unknown origin) assessed as phosphorylation of p(Glu/Tyr) in presence of ATP				Bioorg Med Chem Lett 23: 5401-9 (2013) Article DOI: 10.1016/j.bmcl.2013.07.050 BindingDB Entry DOI: 10.7270/Q2891782
					More data for this Ligand-Target Pair				3D Structure (crystal)
Focal adhesion kinase 1 (Homo sapiens (Human))	BDBM50440370 (CHEMBL2425144) Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(cc1)-n1cnc2c(N)ncnc12)C(C)(C)C Show InChI InChI=1S/C26H27N9O/c1-16-5-9-19(10-6-16)35-21(13-20(33-35)26(2,3)4)32-25(36)31-17-7-11-18(12-8-17)34-15-30-22-23(27)28-14-29-24(22)34/h5-15H,1-4H3,(H2,27,28,29)(H2,31,32,36)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	266	n/a	n/a	n/a	n/a	n/a	n/a
Merck KGaA Curated by ChEMBL					Assay Description Inhibition of FAK (unknown origin) using biotinylated-His-TEVhsFAK(31-686)(K454R) as substrate after 2 hrs by scintillation counting analysis				Bioorg Med Chem Lett 23: 5401-9 (2013) Article DOI: 10.1016/j.bmcl.2013.07.050 BindingDB Entry DOI: 10.7270/Q2891782
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cytochrome P450 2C8 (Homo sapiens (Human))	BDBM50440368 (CHEMBL2425146) Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(cc1)-n1ccnc1)C(C)(C)C Show InChI InChI=1S/C24H26N6O/c1-17-5-9-20(10-6-17)30-22(15-21(28-30)24(2,3)4)27-23(31)26-18-7-11-19(12-8-18)29-14-13-25-16-29/h5-16H,1-4H3,(H2,26,27,31)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
Merck KGaA Curated by ChEMBL					Assay Description Inhibition of CYP2C8 (unknown origin)				Bioorg Med Chem Lett 23: 5401-9 (2013) Article DOI: 10.1016/j.bmcl.2013.07.050 BindingDB Entry DOI: 10.7270/Q2891782
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50440368 (CHEMBL2425146) Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(cc1)-n1ccnc1)C(C)(C)C Show InChI InChI=1S/C24H26N6O/c1-17-5-9-20(10-6-17)30-22(15-21(28-30)24(2,3)4)27-23(31)26-18-7-11-19(12-8-18)29-14-13-25-16-29/h5-16H,1-4H3,(H2,26,27,31)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
Merck KGaA Curated by ChEMBL					Assay Description Inhibition of CYP2D6 (unknown origin)				Bioorg Med Chem Lett 23: 5401-9 (2013) Article DOI: 10.1016/j.bmcl.2013.07.050 BindingDB Entry DOI: 10.7270/Q2891782
					More data for this Ligand-Target Pair
Protein-tyrosine kinase 2-beta (Homo sapiens (Human))	BDBM50440370 (CHEMBL2425144) Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(cc1)-n1cnc2c(N)ncnc12)C(C)(C)C Show InChI InChI=1S/C26H27N9O/c1-16-5-9-19(10-6-16)35-21(13-20(33-35)26(2,3)4)32-25(36)31-17-7-11-18(12-8-17)34-15-30-22-23(27)28-14-29-24(22)34/h5-15H,1-4H3,(H2,27,28,29)(H2,31,32,36)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	414	n/a	n/a	n/a	n/a	n/a	n/a
Merck KGaA Curated by ChEMBL					Assay Description Inhibition of PYK2 (unknown origin)				Bioorg Med Chem Lett 23: 5401-9 (2013) Article DOI: 10.1016/j.bmcl.2013.07.050 BindingDB Entry DOI: 10.7270/Q2891782
					More data for this Ligand-Target Pair
Focal adhesion kinase 1 (Homo sapiens (Human))	BDBM50440370 (CHEMBL2425144) Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(cc1)-n1cnc2c(N)ncnc12)C(C)(C)C Show InChI InChI=1S/C26H27N9O/c1-16-5-9-19(10-6-16)35-21(13-20(33-35)26(2,3)4)32-25(36)31-17-7-11-18(12-8-17)34-15-30-22-23(27)28-14-29-24(22)34/h5-15H,1-4H3,(H2,27,28,29)(H2,31,32,36)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	750	n/a	n/a	n/a	n/a	n/a	n/a
Merck KGaA Curated by ChEMBL					Assay Description Inhibition of FAK in human HT-29 cells assessed as Tyr397 phosphorylation after 45 mins				Bioorg Med Chem Lett 23: 5401-9 (2013) Article DOI: 10.1016/j.bmcl.2013.07.050 BindingDB Entry DOI: 10.7270/Q2891782
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50440368 (CHEMBL2425146) Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(cc1)-n1ccnc1)C(C)(C)C Show InChI InChI=1S/C24H26N6O/c1-17-5-9-20(10-6-17)30-22(15-21(28-30)24(2,3)4)27-23(31)26-18-7-11-19(12-8-18)29-14-13-25-16-29/h5-16H,1-4H3,(H2,26,27,31)	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	800	n/a	n/a	n/a	n/a	n/a	n/a
Merck KGaA Curated by ChEMBL					Assay Description Inhibition of CYP2C9 (unknown origin)				Bioorg Med Chem Lett 23: 5401-9 (2013) Article DOI: 10.1016/j.bmcl.2013.07.050 BindingDB Entry DOI: 10.7270/Q2891782
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50440366 (CHEMBL2425148) Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(cc1)-c1n[nH]c(=S)n1C)C(C)(C)C Show InChI InChI=1S/C24H27N7OS/c1-15-6-12-18(13-7-15)31-20(14-19(29-31)24(2,3)4)26-22(32)25-17-10-8-16(9-11-17)21-27-28-23(33)30(21)5/h6-14H,1-5H3,(H,28,33)(H2,25,26,32)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck KGaA Curated by ChEMBL					Assay Description Inhibition of CYP2D6 (unknown origin)				Bioorg Med Chem Lett 23: 5401-9 (2013) Article DOI: 10.1016/j.bmcl.2013.07.050 BindingDB Entry DOI: 10.7270/Q2891782
					More data for this Ligand-Target Pair
Focal adhesion kinase 1 (Homo sapiens (Human))	BDBM50440357 (CHEMBL2425157) Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(cc1)-c1ccc(N)nc1)C(C)(C)C Show InChI InChI=1S/C26H28N6O/c1-17-5-12-21(13-6-17)32-24(15-22(31-32)26(2,3)4)30-25(33)29-20-10-7-18(8-11-20)19-9-14-23(27)28-16-19/h5-16H,1-4H3,(H2,27,28)(H2,29,30,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck KGaA Curated by ChEMBL					Assay Description Inhibition of FAK (unknown origin) using biotinylated-His-TEVhsFAK(31-686)(K454R) as substrate after 2 hrs by scintillation counting analysis				Bioorg Med Chem Lett 23: 5401-9 (2013) Article DOI: 10.1016/j.bmcl.2013.07.050 BindingDB Entry DOI: 10.7270/Q2891782
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50440367 (CHEMBL2425147) Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(cc1)-n1cnnc1)C(C)(C)C Show InChI InChI=1S/C23H25N7O/c1-16-5-9-19(10-6-16)30-21(13-20(28-30)23(2,3)4)27-22(31)26-17-7-11-18(12-8-17)29-14-24-25-15-29/h5-15H,1-4H3,(H2,26,27,31)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck KGaA Curated by ChEMBL					Assay Description Inhibition of CYP2D6 (unknown origin)				Bioorg Med Chem Lett 23: 5401-9 (2013) Article DOI: 10.1016/j.bmcl.2013.07.050 BindingDB Entry DOI: 10.7270/Q2891782
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50440367 (CHEMBL2425147) Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(cc1)-n1cnnc1)C(C)(C)C Show InChI InChI=1S/C23H25N7O/c1-16-5-9-19(10-6-16)30-21(13-20(28-30)23(2,3)4)27-22(31)26-17-7-11-18(12-8-17)29-14-24-25-15-29/h5-15H,1-4H3,(H2,26,27,31)	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	6.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck KGaA Curated by ChEMBL					Assay Description Inhibition of CYP2C9 (unknown origin)				Bioorg Med Chem Lett 23: 5401-9 (2013) Article DOI: 10.1016/j.bmcl.2013.07.050 BindingDB Entry DOI: 10.7270/Q2891782
					More data for this Ligand-Target Pair
Focal adhesion kinase 1 (Homo sapiens (Human))	BDBM50440358 (CHEMBL2425156) Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(cc1)-c1cccnc1)C(C)(C)C Show InChI InChI=1S/C26H27N5O/c1-18-7-13-22(14-8-18)31-24(16-23(30-31)26(2,3)4)29-25(32)28-21-11-9-19(10-12-21)20-6-5-15-27-17-20/h5-17H,1-4H3,(H2,28,29,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	7.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck KGaA Curated by ChEMBL					Assay Description Inhibition of FAK (unknown origin) using biotinylated-His-TEVhsFAK(31-686)(K454R) as substrate after 2 hrs by scintillation counting analysis				Bioorg Med Chem Lett 23: 5401-9 (2013) Article DOI: 10.1016/j.bmcl.2013.07.050 BindingDB Entry DOI: 10.7270/Q2891782
					More data for this Ligand-Target Pair				3D Structure (crystal)
Focal adhesion kinase 1 (Homo sapiens (Human))	BDBM50440369 (CHEMBL2425145) Show SMILES Cc1cn(cn1)-c1ccc(NC(=O)Nc2cc(nn2-c2ccc(C)cc2)C(C)(C)C)cc1 Show InChI InChI=1S/C25H28N6O/c1-17-6-10-21(11-7-17)31-23(14-22(29-31)25(3,4)5)28-24(32)27-19-8-12-20(13-9-19)30-15-18(2)26-16-30/h6-16H,1-5H3,(H2,27,28,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck KGaA Curated by ChEMBL					Assay Description Inhibition of FAK (unknown origin) using biotinylated-His-TEVhsFAK(31-686)(K454R) as substrate after 2 hrs by scintillation counting analysis				Bioorg Med Chem Lett 23: 5401-9 (2013) Article DOI: 10.1016/j.bmcl.2013.07.050 BindingDB Entry DOI: 10.7270/Q2891782
					More data for this Ligand-Target Pair
Focal adhesion kinase 1 (Homo sapiens (Human))	BDBM50440365 (CHEMBL2425149) Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(cc1)-n1cnc(Cl)c1Cl)C(C)(C)C Show InChI InChI=1S/C24H24Cl2N6O/c1-15-5-9-18(10-6-15)32-20(13-19(30-32)24(2,3)4)29-23(33)28-16-7-11-17(12-8-16)31-14-27-21(25)22(31)26/h5-14H,1-4H3,(H2,28,29,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck KGaA Curated by ChEMBL					Assay Description Inhibition of FAK (unknown origin) using biotinylated-His-TEVhsFAK(31-686)(K454R) as substrate after 2 hrs by scintillation counting analysis				Bioorg Med Chem Lett 23: 5401-9 (2013) Article DOI: 10.1016/j.bmcl.2013.07.050 BindingDB Entry DOI: 10.7270/Q2891782
					More data for this Ligand-Target Pair
Focal adhesion kinase 1 (Homo sapiens (Human))	BDBM50440368 (CHEMBL2425146) Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(cc1)-n1ccnc1)C(C)(C)C Show InChI InChI=1S/C24H26N6O/c1-17-5-9-20(10-6-17)30-22(15-21(28-30)24(2,3)4)27-23(31)26-18-7-11-19(12-8-18)29-14-13-25-16-29/h5-16H,1-4H3,(H2,26,27,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck KGaA Curated by ChEMBL					Assay Description Inhibition of FAK (unknown origin) using biotinylated-His-TEVhsFAK(31-686)(K454R) as substrate after 2 hrs by scintillation counting analysis				Bioorg Med Chem Lett 23: 5401-9 (2013) Article DOI: 10.1016/j.bmcl.2013.07.050 BindingDB Entry DOI: 10.7270/Q2891782
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50440353 (CHEMBL2425161) Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(cc1)-c1ccc(OCc2ccccc2)nc1)C(C)(C)C Show InChI InChI=1S/C33H33N5O2/c1-23-10-17-28(18-11-23)38-30(20-29(37-38)33(2,3)4)36-32(39)35-27-15-12-25(13-16-27)26-14-19-31(34-21-26)40-22-24-8-6-5-7-9-24/h5-21H,22H2,1-4H3,(H2,35,36,39)	PDB UniProtKB/SwissProt 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
Merck KGaA Curated by ChEMBL					Assay Description Inhibition of CYP2D6 (unknown origin)				Bioorg Med Chem Lett 23: 5401-9 (2013) Article DOI: 10.1016/j.bmcl.2013.07.050 BindingDB Entry DOI: 10.7270/Q2891782
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50440354 (CHEMBL2425160) Show SMILES COc1ccc(cn1)-c1ccc(NC(=O)Nc2cc(nn2-c2ccc(C)cc2)C(C)(C)C)cc1 Show InChI InChI=1S/C27H29N5O2/c1-18-6-13-22(14-7-18)32-24(16-23(31-32)27(2,3)4)30-26(33)29-21-11-8-19(9-12-21)20-10-15-25(34-5)28-17-20/h6-17H,1-5H3,(H2,29,30,33)	PDB UniProtKB/SwissProt 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
Merck KGaA Curated by ChEMBL					Assay Description Inhibition of CYP2D6 (unknown origin)				Bioorg Med Chem Lett 23: 5401-9 (2013) Article DOI: 10.1016/j.bmcl.2013.07.050 BindingDB Entry DOI: 10.7270/Q2891782
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50440355 (CHEMBL2425159) Show SMILES COc1cc(OC)nc(n1)-c1ccc(NC(=O)Nc2cc(nn2-c2ccc(C)cc2)C(C)(C)C)cc1 Show InChI InChI=1S/C27H30N6O3/c1-17-7-13-20(14-8-17)33-22(15-21(32-33)27(2,3)4)29-26(34)28-19-11-9-18(10-12-19)25-30-23(35-5)16-24(31-25)36-6/h7-16H,1-6H3,(H2,28,29,34)	PDB UniProtKB/SwissProt 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
Merck KGaA Curated by ChEMBL					Assay Description Inhibition of CYP2D6 (unknown origin)				Bioorg Med Chem Lett 23: 5401-9 (2013) Article DOI: 10.1016/j.bmcl.2013.07.050 BindingDB Entry DOI: 10.7270/Q2891782
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50440356 (CHEMBL2425158) Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(cc1)-c1ccncc1)C(C)(C)C Show InChI InChI=1S/C26H27N5O/c1-18-5-11-22(12-6-18)31-24(17-23(30-31)26(2,3)4)29-25(32)28-21-9-7-19(8-10-21)20-13-15-27-16-14-20/h5-17H,1-4H3,(H2,28,29,32)	PDB UniProtKB/SwissProt 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
Merck KGaA Curated by ChEMBL					Assay Description Inhibition of CYP2D6 (unknown origin)				Bioorg Med Chem Lett 23: 5401-9 (2013) Article DOI: 10.1016/j.bmcl.2013.07.050 BindingDB Entry DOI: 10.7270/Q2891782
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50440357 (CHEMBL2425157) Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(cc1)-c1ccc(N)nc1)C(C)(C)C Show InChI InChI=1S/C26H28N6O/c1-17-5-12-21(13-6-17)32-24(15-22(31-32)26(2,3)4)30-25(33)29-20-10-7-18(8-11-20)19-9-14-23(27)28-16-19/h5-16H,1-4H3,(H2,27,28)(H2,29,30,33)	PDB UniProtKB/SwissProt 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
Merck KGaA Curated by ChEMBL					Assay Description Inhibition of CYP2D6 (unknown origin)				Bioorg Med Chem Lett 23: 5401-9 (2013) Article DOI: 10.1016/j.bmcl.2013.07.050 BindingDB Entry DOI: 10.7270/Q2891782
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50440358 (CHEMBL2425156) Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(cc1)-c1cccnc1)C(C)(C)C Show InChI InChI=1S/C26H27N5O/c1-18-7-13-22(14-8-18)31-24(16-23(30-31)26(2,3)4)29-25(32)28-21-11-9-19(10-12-21)20-6-5-15-27-17-20/h5-17H,1-4H3,(H2,28,29,32)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck KGaA Curated by ChEMBL					Assay Description Inhibition of CYP2D6 (unknown origin)				Bioorg Med Chem Lett 23: 5401-9 (2013) Article DOI: 10.1016/j.bmcl.2013.07.050 BindingDB Entry DOI: 10.7270/Q2891782
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50440359 (CHEMBL2425155) Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(cc1)-c1nncn1C)C(C)(C)C Show InChI InChI=1S/C24H27N7O/c1-16-6-12-19(13-7-16)31-21(14-20(29-31)24(2,3)4)27-23(32)26-18-10-8-17(9-11-18)22-28-25-15-30(22)5/h6-15H,1-5H3,(H2,26,27,32)	PDB UniProtKB/SwissProt 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
Merck KGaA Curated by ChEMBL					Assay Description Inhibition of CYP2D6 (unknown origin)				Bioorg Med Chem Lett 23: 5401-9 (2013) Article DOI: 10.1016/j.bmcl.2013.07.050 BindingDB Entry DOI: 10.7270/Q2891782
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50440360 (CHEMBL2425154) Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(cc1)-n1cnnn1)C(C)(C)C Show InChI InChI=1S/C22H24N8O/c1-15-5-9-18(10-6-15)30-20(13-19(26-30)22(2,3)4)25-21(31)24-16-7-11-17(12-8-16)29-14-23-27-28-29/h5-14H,1-4H3,(H2,24,25,31)	PDB UniProtKB/SwissProt 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
Merck KGaA Curated by ChEMBL					Assay Description Inhibition of CYP2D6 (unknown origin)				Bioorg Med Chem Lett 23: 5401-9 (2013) Article DOI: 10.1016/j.bmcl.2013.07.050 BindingDB Entry DOI: 10.7270/Q2891782
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50440361 (CHEMBL2425153) Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(cc1)-c1cnco1)C(C)(C)C Show InChI InChI=1S/C24H25N5O2/c1-16-5-11-19(12-6-16)29-22(13-21(28-29)24(2,3)4)27-23(30)26-18-9-7-17(8-10-18)20-14-25-15-31-20/h5-15H,1-4H3,(H2,26,27,30)	PDB UniProtKB/SwissProt 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
Merck KGaA Curated by ChEMBL					Assay Description Inhibition of CYP2D6 (unknown origin)				Bioorg Med Chem Lett 23: 5401-9 (2013) Article DOI: 10.1016/j.bmcl.2013.07.050 BindingDB Entry DOI: 10.7270/Q2891782
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50440362 (CHEMBL2425152) Show SMILES Cc1nnnn1-c1ccc(NC(=O)Nc2cc(nn2-c2ccc(C)cc2)C(C)(C)C)cc1 Show InChI InChI=1S/C23H26N8O/c1-15-6-10-19(11-7-15)31-21(14-20(27-31)23(3,4)5)25-22(32)24-17-8-12-18(13-9-17)30-16(2)26-28-29-30/h6-14H,1-5H3,(H2,24,25,32)	PDB UniProtKB/SwissProt 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
Merck KGaA Curated by ChEMBL					Assay Description Inhibition of CYP2D6 (unknown origin)				Bioorg Med Chem Lett 23: 5401-9 (2013) Article DOI: 10.1016/j.bmcl.2013.07.050 BindingDB Entry DOI: 10.7270/Q2891782
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50440363 (CHEMBL2425151) Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(cc1)-c1csnn1)C(C)(C)C Show InChI InChI=1S/C23H24N6OS/c1-15-5-11-18(12-6-15)29-21(13-20(27-29)23(2,3)4)25-22(30)24-17-9-7-16(8-10-17)19-14-31-28-26-19/h5-14H,1-4H3,(H2,24,25,30)	PDB UniProtKB/SwissProt 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
Merck KGaA Curated by ChEMBL					Assay Description Inhibition of CYP2D6 (unknown origin)				Bioorg Med Chem Lett 23: 5401-9 (2013) Article DOI: 10.1016/j.bmcl.2013.07.050 BindingDB Entry DOI: 10.7270/Q2891782
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50440364 (CHEMBL2425150) Show SMILES Cc1cncn1-c1ccc(NC(=O)Nc2cc(nn2-c2ccc(C)cc2)C(C)(C)C)cc1 Show InChI InChI=1S/C25H28N6O/c1-17-6-10-21(11-7-17)31-23(14-22(29-31)25(3,4)5)28-24(32)27-19-8-12-20(13-9-19)30-16-26-15-18(30)2/h6-16H,1-5H3,(H2,27,28,32)	PDB UniProtKB/SwissProt 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
Merck KGaA Curated by ChEMBL					Assay Description Inhibition of CYP2D6 (unknown origin)				Bioorg Med Chem Lett 23: 5401-9 (2013) Article DOI: 10.1016/j.bmcl.2013.07.050 BindingDB Entry DOI: 10.7270/Q2891782
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50440365 (CHEMBL2425149) Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(cc1)-n1cnc(Cl)c1Cl)C(C)(C)C Show InChI InChI=1S/C24H24Cl2N6O/c1-15-5-9-18(10-6-15)32-20(13-19(30-32)24(2,3)4)29-23(33)28-16-7-11-17(12-8-16)31-14-27-21(25)22(31)26/h5-14H,1-4H3,(H2,28,29,33)	PDB UniProtKB/SwissProt 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
Merck KGaA Curated by ChEMBL					Assay Description Inhibition of CYP2D6 (unknown origin)				Bioorg Med Chem Lett 23: 5401-9 (2013) Article DOI: 10.1016/j.bmcl.2013.07.050 BindingDB Entry DOI: 10.7270/Q2891782
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50440369 (CHEMBL2425145) Show SMILES Cc1cn(cn1)-c1ccc(NC(=O)Nc2cc(nn2-c2ccc(C)cc2)C(C)(C)C)cc1 Show InChI InChI=1S/C25H28N6O/c1-17-6-10-21(11-7-17)31-23(14-22(29-31)25(3,4)5)28-24(32)27-19-8-12-20(13-9-19)30-15-18(2)26-16-30/h6-16H,1-5H3,(H2,27,28,32)	PDB UniProtKB/SwissProt 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
Merck KGaA Curated by ChEMBL					Assay Description Inhibition of CYP2D6 (unknown origin)				Bioorg Med Chem Lett 23: 5401-9 (2013) Article DOI: 10.1016/j.bmcl.2013.07.050 BindingDB Entry DOI: 10.7270/Q2891782
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50440370 (CHEMBL2425144) Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(cc1)-n1cnc2c(N)ncnc12)C(C)(C)C Show InChI InChI=1S/C26H27N9O/c1-16-5-9-19(10-6-16)35-21(13-20(33-35)26(2,3)4)32-25(36)31-17-7-11-18(12-8-17)34-15-30-22-23(27)28-14-29-24(22)34/h5-15H,1-4H3,(H2,27,28,29)(H2,31,32,36)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck KGaA Curated by ChEMBL					Assay Description Inhibition of CYP2D6 (unknown origin)				Bioorg Med Chem Lett 23: 5401-9 (2013) Article DOI: 10.1016/j.bmcl.2013.07.050 BindingDB Entry DOI: 10.7270/Q2891782
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50440353 (CHEMBL2425161) Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(cc1)-c1ccc(OCc2ccccc2)nc1)C(C)(C)C Show InChI InChI=1S/C33H33N5O2/c1-23-10-17-28(18-11-23)38-30(20-29(37-38)33(2,3)4)36-32(39)35-27-15-12-25(13-16-27)26-14-19-31(34-21-26)40-22-24-8-6-5-7-9-24/h5-21H,22H2,1-4H3,(H2,35,36,39)	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
Merck KGaA Curated by ChEMBL					Assay Description Inhibition of CYP2C19 (unknown origin)				Bioorg Med Chem Lett 23: 5401-9 (2013) Article DOI: 10.1016/j.bmcl.2013.07.050 BindingDB Entry DOI: 10.7270/Q2891782
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50440354 (CHEMBL2425160) Show SMILES COc1ccc(cn1)-c1ccc(NC(=O)Nc2cc(nn2-c2ccc(C)cc2)C(C)(C)C)cc1 Show InChI InChI=1S/C27H29N5O2/c1-18-6-13-22(14-7-18)32-24(16-23(31-32)27(2,3)4)30-26(33)29-21-11-8-19(9-12-21)20-10-15-25(34-5)28-17-20/h6-17H,1-5H3,(H2,29,30,33)	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
Merck KGaA Curated by ChEMBL					Assay Description Inhibition of CYP2C19 (unknown origin)				Bioorg Med Chem Lett 23: 5401-9 (2013) Article DOI: 10.1016/j.bmcl.2013.07.050 BindingDB Entry DOI: 10.7270/Q2891782
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50440355 (CHEMBL2425159) Show SMILES COc1cc(OC)nc(n1)-c1ccc(NC(=O)Nc2cc(nn2-c2ccc(C)cc2)C(C)(C)C)cc1 Show InChI InChI=1S/C27H30N6O3/c1-17-7-13-20(14-8-17)33-22(15-21(32-33)27(2,3)4)29-26(34)28-19-11-9-18(10-12-19)25-30-23(35-5)16-24(31-25)36-6/h7-16H,1-6H3,(H2,28,29,34)	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
Merck KGaA Curated by ChEMBL					Assay Description Inhibition of CYP2C19 (unknown origin)				Bioorg Med Chem Lett 23: 5401-9 (2013) Article DOI: 10.1016/j.bmcl.2013.07.050 BindingDB Entry DOI: 10.7270/Q2891782
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50440356 (CHEMBL2425158) Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(cc1)-c1ccncc1)C(C)(C)C Show InChI InChI=1S/C26H27N5O/c1-18-5-11-22(12-6-18)31-24(17-23(30-31)26(2,3)4)29-25(32)28-21-9-7-19(8-10-21)20-13-15-27-16-14-20/h5-17H,1-4H3,(H2,28,29,32)	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
Merck KGaA Curated by ChEMBL					Assay Description Inhibition of CYP2C19 (unknown origin)				Bioorg Med Chem Lett 23: 5401-9 (2013) Article DOI: 10.1016/j.bmcl.2013.07.050 BindingDB Entry DOI: 10.7270/Q2891782
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50440357 (CHEMBL2425157) Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(cc1)-c1ccc(N)nc1)C(C)(C)C Show InChI InChI=1S/C26H28N6O/c1-17-5-12-21(13-6-17)32-24(15-22(31-32)26(2,3)4)30-25(33)29-20-10-7-18(8-11-20)19-9-14-23(27)28-16-19/h5-16H,1-4H3,(H2,27,28)(H2,29,30,33)	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
Merck KGaA Curated by ChEMBL					Assay Description Inhibition of CYP2C19 (unknown origin)				Bioorg Med Chem Lett 23: 5401-9 (2013) Article DOI: 10.1016/j.bmcl.2013.07.050 BindingDB Entry DOI: 10.7270/Q2891782
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50440358 (CHEMBL2425156) Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(cc1)-c1cccnc1)C(C)(C)C Show InChI InChI=1S/C26H27N5O/c1-18-7-13-22(14-8-18)31-24(16-23(30-31)26(2,3)4)29-25(32)28-21-11-9-19(10-12-21)20-6-5-15-27-17-20/h5-17H,1-4H3,(H2,28,29,32)	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	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck KGaA Curated by ChEMBL					Assay Description Inhibition of CYP2C19 (unknown origin)				Bioorg Med Chem Lett 23: 5401-9 (2013) Article DOI: 10.1016/j.bmcl.2013.07.050 BindingDB Entry DOI: 10.7270/Q2891782
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50440359 (CHEMBL2425155) Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(cc1)-c1nncn1C)C(C)(C)C Show InChI InChI=1S/C24H27N7O/c1-16-6-12-19(13-7-16)31-21(14-20(29-31)24(2,3)4)27-23(32)26-18-10-8-17(9-11-18)22-28-25-15-30(22)5/h6-15H,1-5H3,(H2,26,27,32)	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
Merck KGaA Curated by ChEMBL					Assay Description Inhibition of CYP2C19 (unknown origin)				Bioorg Med Chem Lett 23: 5401-9 (2013) Article DOI: 10.1016/j.bmcl.2013.07.050 BindingDB Entry DOI: 10.7270/Q2891782
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50440360 (CHEMBL2425154) Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(cc1)-n1cnnn1)C(C)(C)C Show InChI InChI=1S/C22H24N8O/c1-15-5-9-18(10-6-15)30-20(13-19(26-30)22(2,3)4)25-21(31)24-16-7-11-17(12-8-16)29-14-23-27-28-29/h5-14H,1-4H3,(H2,24,25,31)	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
Merck KGaA Curated by ChEMBL					Assay Description Inhibition of CYP2C19 (unknown origin)				Bioorg Med Chem Lett 23: 5401-9 (2013) Article DOI: 10.1016/j.bmcl.2013.07.050 BindingDB Entry DOI: 10.7270/Q2891782
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50440361 (CHEMBL2425153) Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(cc1)-c1cnco1)C(C)(C)C Show InChI InChI=1S/C24H25N5O2/c1-16-5-11-19(12-6-16)29-22(13-21(28-29)24(2,3)4)27-23(30)26-18-9-7-17(8-10-18)20-14-25-15-31-20/h5-15H,1-4H3,(H2,26,27,30)	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
Merck KGaA Curated by ChEMBL					Assay Description Inhibition of CYP2C19 (unknown origin)				Bioorg Med Chem Lett 23: 5401-9 (2013) Article DOI: 10.1016/j.bmcl.2013.07.050 BindingDB Entry DOI: 10.7270/Q2891782
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50440362 (CHEMBL2425152) Show SMILES Cc1nnnn1-c1ccc(NC(=O)Nc2cc(nn2-c2ccc(C)cc2)C(C)(C)C)cc1 Show InChI InChI=1S/C23H26N8O/c1-15-6-10-19(11-7-15)31-21(14-20(27-31)23(3,4)5)25-22(32)24-17-8-12-18(13-9-17)30-16(2)26-28-29-30/h6-14H,1-5H3,(H2,24,25,32)	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
Merck KGaA Curated by ChEMBL					Assay Description Inhibition of CYP2C19 (unknown origin)				Bioorg Med Chem Lett 23: 5401-9 (2013) Article DOI: 10.1016/j.bmcl.2013.07.050 BindingDB Entry DOI: 10.7270/Q2891782
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50440363 (CHEMBL2425151) Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(cc1)-c1csnn1)C(C)(C)C Show InChI InChI=1S/C23H24N6OS/c1-15-5-11-18(12-6-15)29-21(13-20(27-29)23(2,3)4)25-22(30)24-17-9-7-16(8-10-17)19-14-31-28-26-19/h5-14H,1-4H3,(H2,24,25,30)	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
Merck KGaA Curated by ChEMBL					Assay Description Inhibition of CYP2C19 (unknown origin)				Bioorg Med Chem Lett 23: 5401-9 (2013) Article DOI: 10.1016/j.bmcl.2013.07.050 BindingDB Entry DOI: 10.7270/Q2891782
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50440364 (CHEMBL2425150) Show SMILES Cc1cncn1-c1ccc(NC(=O)Nc2cc(nn2-c2ccc(C)cc2)C(C)(C)C)cc1 Show InChI InChI=1S/C25H28N6O/c1-17-6-10-21(11-7-17)31-23(14-22(29-31)25(3,4)5)28-24(32)27-19-8-12-20(13-9-19)30-16-26-15-18(30)2/h6-16H,1-5H3,(H2,27,28,32)	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
Merck KGaA Curated by ChEMBL					Assay Description Inhibition of CYP2C19 (unknown origin)				Bioorg Med Chem Lett 23: 5401-9 (2013) Article DOI: 10.1016/j.bmcl.2013.07.050 BindingDB Entry DOI: 10.7270/Q2891782
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50440365 (CHEMBL2425149) Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(cc1)-n1cnc(Cl)c1Cl)C(C)(C)C Show InChI InChI=1S/C24H24Cl2N6O/c1-15-5-9-18(10-6-15)32-20(13-19(30-32)24(2,3)4)29-23(33)28-16-7-11-17(12-8-16)31-14-27-21(25)22(31)26/h5-14H,1-4H3,(H2,28,29,33)	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
Merck KGaA Curated by ChEMBL					Assay Description Inhibition of CYP2C19 (unknown origin)				Bioorg Med Chem Lett 23: 5401-9 (2013) Article DOI: 10.1016/j.bmcl.2013.07.050 BindingDB Entry DOI: 10.7270/Q2891782
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50440366 (CHEMBL2425148) Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(cc1)-c1n[nH]c(=S)n1C)C(C)(C)C Show InChI InChI=1S/C24H27N7OS/c1-15-6-12-18(13-7-15)31-20(14-19(29-31)24(2,3)4)26-22(32)25-17-10-8-16(9-11-17)21-27-28-23(33)30(21)5/h6-14H,1-5H3,(H,28,33)(H2,25,26,32)	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
Merck KGaA Curated by ChEMBL					Assay Description Inhibition of CYP2C19 (unknown origin)				Bioorg Med Chem Lett 23: 5401-9 (2013) Article DOI: 10.1016/j.bmcl.2013.07.050 BindingDB Entry DOI: 10.7270/Q2891782
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50440367 (CHEMBL2425147) Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(cc1)-n1cnnc1)C(C)(C)C Show InChI InChI=1S/C23H25N7O/c1-16-5-9-19(10-6-16)30-21(13-20(28-30)23(2,3)4)27-22(31)26-17-7-11-18(12-8-17)29-14-24-25-15-29/h5-15H,1-4H3,(H2,26,27,31)	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
Merck KGaA Curated by ChEMBL					Assay Description Inhibition of CYP2C19 (unknown origin)				Bioorg Med Chem Lett 23: 5401-9 (2013) Article DOI: 10.1016/j.bmcl.2013.07.050 BindingDB Entry DOI: 10.7270/Q2891782
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50440368 (CHEMBL2425146) Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(cc1)-n1ccnc1)C(C)(C)C Show InChI InChI=1S/C24H26N6O/c1-17-5-9-20(10-6-17)30-22(15-21(28-30)24(2,3)4)27-23(31)26-18-7-11-19(12-8-18)29-14-13-25-16-29/h5-16H,1-4H3,(H2,26,27,31)	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
Merck KGaA Curated by ChEMBL					Assay Description Inhibition of CYP2C19 (unknown origin)				Bioorg Med Chem Lett 23: 5401-9 (2013) Article DOI: 10.1016/j.bmcl.2013.07.050 BindingDB Entry DOI: 10.7270/Q2891782
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50440369 (CHEMBL2425145) Show SMILES Cc1cn(cn1)-c1ccc(NC(=O)Nc2cc(nn2-c2ccc(C)cc2)C(C)(C)C)cc1 Show InChI InChI=1S/C25H28N6O/c1-17-6-10-21(11-7-17)31-23(14-22(29-31)25(3,4)5)28-24(32)27-19-8-12-20(13-9-19)30-15-18(2)26-16-30/h6-16H,1-5H3,(H2,27,28,32)	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
Merck KGaA Curated by ChEMBL					Assay Description Inhibition of CYP2C19 (unknown origin)				Bioorg Med Chem Lett 23: 5401-9 (2013) Article DOI: 10.1016/j.bmcl.2013.07.050 BindingDB Entry DOI: 10.7270/Q2891782
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50440370 (CHEMBL2425144) Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(cc1)-n1cnc2c(N)ncnc12)C(C)(C)C Show InChI InChI=1S/C26H27N9O/c1-16-5-9-19(10-6-16)35-21(13-20(33-35)26(2,3)4)32-25(36)31-17-7-11-18(12-8-17)34-15-30-22-23(27)28-14-29-24(22)34/h5-15H,1-4H3,(H2,27,28,29)(H2,31,32,36)	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	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck KGaA Curated by ChEMBL					Assay Description Inhibition of CYP2C19 (unknown origin)				Bioorg Med Chem Lett 23: 5401-9 (2013) Article DOI: 10.1016/j.bmcl.2013.07.050 BindingDB Entry DOI: 10.7270/Q2891782
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50440353 (CHEMBL2425161) Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(cc1)-c1ccc(OCc2ccccc2)nc1)C(C)(C)C Show InChI InChI=1S/C33H33N5O2/c1-23-10-17-28(18-11-23)38-30(20-29(37-38)33(2,3)4)36-32(39)35-27-15-12-25(13-16-27)26-14-19-31(34-21-26)40-22-24-8-6-5-7-9-24/h5-21H,22H2,1-4H3,(H2,35,36,39)	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
Merck KGaA Curated by ChEMBL					Assay Description Inhibition of CYP2C9 (unknown origin)				Bioorg Med Chem Lett 23: 5401-9 (2013) Article DOI: 10.1016/j.bmcl.2013.07.050 BindingDB Entry DOI: 10.7270/Q2891782
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50440354 (CHEMBL2425160) Show SMILES COc1ccc(cn1)-c1ccc(NC(=O)Nc2cc(nn2-c2ccc(C)cc2)C(C)(C)C)cc1 Show InChI InChI=1S/C27H29N5O2/c1-18-6-13-22(14-7-18)32-24(16-23(31-32)27(2,3)4)30-26(33)29-21-11-8-19(9-12-21)20-10-15-25(34-5)28-17-20/h6-17H,1-5H3,(H2,29,30,33)	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
Merck KGaA Curated by ChEMBL					Assay Description Inhibition of CYP2C9 (unknown origin)				Bioorg Med Chem Lett 23: 5401-9 (2013) Article DOI: 10.1016/j.bmcl.2013.07.050 BindingDB Entry DOI: 10.7270/Q2891782
					More data for this Ligand-Target Pair

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