Compile Data Set for Download or QSAR

Found 58 hits Enz. Inhib. hit(s) with all data for entry = 50034566   

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
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (Homo sapiens (Human))	BDBM50364330 (CHEMBL1949936) Show SMILES COc1cc(C)c2nc3[nH]nc(C)c3c(C(O)c3ccncc3)c2c1 Show InChI InChI=1S/C19H18N4O2/c1-10-8-13(25-3)9-14-16(18(24)12-4-6-20-7-5-12)15-11(2)22-23-19(15)21-17(10)14/h4-9,18,24H,1-3H3,(H,21,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human recombinant PDE10A assessed as hydrolysis of cAMP to AMP using [3H]cAMP substrate by scintillation proximity assay				Bioorg Med Chem Lett 22: 1335-9 (2012) Article DOI: 10.1016/j.bmcl.2011.12.080 BindingDB Entry DOI: 10.7270/Q2RF5VGF
					More data for this Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (Homo sapiens (Human))	BDBM50364327 (CHEMBL1949939) Show SMILES COc1cc(C)c2nc3[nH]nc(C)c3c(C(O)c3ccnc(F)c3)c2c1 Show InChI InChI=1S/C19H17FN4O2/c1-9-6-12(26-3)8-13-16(18(25)11-4-5-21-14(20)7-11)15-10(2)23-24-19(15)22-17(9)13/h4-8,18,25H,1-3H3,(H,22,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human recombinant PDE10A assessed as hydrolysis of cAMP to AMP using [3H]cAMP substrate by scintillation proximity assay				Bioorg Med Chem Lett 22: 1335-9 (2012) Article DOI: 10.1016/j.bmcl.2011.12.080 BindingDB Entry DOI: 10.7270/Q2RF5VGF
					More data for this Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (Homo sapiens (Human))	BDBM50364339 (CHEMBL1950085) Show SMILES Cc1n[nH]c2nc3c(C)cc(Cl)cc3c(C(O)c3ccncc3)c12 Show InChI InChI=1S/C18H15ClN4O/c1-9-7-12(19)8-13-15(17(24)11-3-5-20-6-4-11)14-10(2)22-23-18(14)21-16(9)13/h3-8,17,24H,1-2H3,(H,21,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human recombinant PDE10A assessed as hydrolysis of cAMP to AMP using [3H]cAMP substrate by scintillation proximity assay				Bioorg Med Chem Lett 22: 1335-9 (2012) Article DOI: 10.1016/j.bmcl.2011.12.080 BindingDB Entry DOI: 10.7270/Q2RF5VGF
					More data for this Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (Homo sapiens (Human))	BDBM50364340 (CHEMBL1950084) Show SMILES COc1cc(C)c2nc3[nH]nc(C)c3c(C(F)c3ccncc3)c2c1 Show InChI InChI=1S/C19H17FN4O/c1-10-8-13(25-3)9-14-16(17(20)12-4-6-21-7-5-12)15-11(2)23-24-19(15)22-18(10)14/h4-9,17H,1-3H3,(H,22,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human recombinant PDE10A assessed as hydrolysis of cAMP to AMP using [3H]cAMP substrate by scintillation proximity assay				Bioorg Med Chem Lett 22: 1335-9 (2012) Article DOI: 10.1016/j.bmcl.2011.12.080 BindingDB Entry DOI: 10.7270/Q2RF5VGF
					More data for this Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (Homo sapiens (Human))	BDBM50364335 (CHEMBL1950089) Show SMILES Cc1n[nH]c2nc3c(C)cc(Cl)cc3c(C(O)c3ncco3)c12 Show InChI InChI=1S/C16H13ClN4O2/c1-7-5-9(17)6-10-12(14(22)16-18-3-4-23-16)11-8(2)20-21-15(11)19-13(7)10/h3-6,14,22H,1-2H3,(H,19,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human recombinant PDE10A assessed as hydrolysis of cAMP to AMP using [3H]cAMP substrate by scintillation proximity assay				Bioorg Med Chem Lett 22: 1335-9 (2012) Article DOI: 10.1016/j.bmcl.2011.12.080 BindingDB Entry DOI: 10.7270/Q2RF5VGF
					More data for this Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (Homo sapiens (Human))	BDBM50364332 (CHEMBL1949940) Show SMILES COc1cc(C)c2nc3[nH]nc(C)c3c(C(O)c3ncco3)c2c1 Show InChI InChI=1S/C17H16N4O3/c1-8-6-10(23-3)7-11-13(15(22)17-18-4-5-24-17)12-9(2)20-21-16(12)19-14(8)11/h4-7,15,22H,1-3H3,(H,19,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human recombinant PDE10A assessed as hydrolysis of cAMP to AMP using [3H]cAMP substrate by scintillation proximity assay				Bioorg Med Chem Lett 22: 1335-9 (2012) Article DOI: 10.1016/j.bmcl.2011.12.080 BindingDB Entry DOI: 10.7270/Q2RF5VGF
					More data for this Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (Homo sapiens (Human))	BDBM50364336 (CHEMBL1950088) Show SMILES Cc1n[nH]c2nc3c(C)cc(Cl)cc3c(C(O)c3ccnc(F)c3)c12 Show InChI InChI=1S/C18H14ClFN4O/c1-8-5-11(19)7-12-15(17(25)10-3-4-21-13(20)6-10)14-9(2)23-24-18(14)22-16(8)12/h3-7,17,25H,1-2H3,(H,22,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human recombinant PDE10A assessed as hydrolysis of cAMP to AMP using [3H]cAMP substrate by scintillation proximity assay				Bioorg Med Chem Lett 22: 1335-9 (2012) Article DOI: 10.1016/j.bmcl.2011.12.080 BindingDB Entry DOI: 10.7270/Q2RF5VGF
					More data for this Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (Homo sapiens (Human))	BDBM50364346 (CHEMBL1950083) Show SMILES COc1cc(C)c2nc3[nH]nc(C)c3c(C(=O)c3ccncc3)c2c1 Show InChI InChI=1S/C19H16N4O2/c1-10-8-13(25-3)9-14-16(18(24)12-4-6-20-7-5-12)15-11(2)22-23-19(15)21-17(10)14/h4-9H,1-3H3,(H,21,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human recombinant PDE10A assessed as hydrolysis of cAMP to AMP using [3H]cAMP substrate by scintillation proximity assay				Bioorg Med Chem Lett 22: 1335-9 (2012) Article DOI: 10.1016/j.bmcl.2011.12.080 BindingDB Entry DOI: 10.7270/Q2RF5VGF
					More data for this Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (Homo sapiens (Human))	BDBM50364342 (CHEMBL1950081) Show SMILES COc1ccc(cc1)C(C#N)c1c2c(C)n[nH]c2nc2c(C)cc(OC)cc12 Show InChI InChI=1S/C22H20N4O2/c1-12-9-16(28-4)10-17-20(19-13(2)25-26-22(19)24-21(12)17)18(11-23)14-5-7-15(27-3)8-6-14/h5-10,18H,1-4H3,(H,24,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human recombinant PDE10A assessed as hydrolysis of cAMP to AMP using [3H]cAMP substrate by scintillation proximity assay				Bioorg Med Chem Lett 22: 1335-9 (2012) Article DOI: 10.1016/j.bmcl.2011.12.080 BindingDB Entry DOI: 10.7270/Q2RF5VGF
					More data for this Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (Homo sapiens (Human))	BDBM50364345 (CHEMBL1949942) Show SMILES COc1cc(C)c2nc3[nH]nc(C)c3c(C(O)c3cncs3)c2c1 Show InChI InChI=1S/C17H16N4O2S/c1-8-4-10(23-3)5-11-14(16(22)12-6-18-7-24-12)13-9(2)20-21-17(13)19-15(8)11/h4-7,16,22H,1-3H3,(H,19,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human recombinant PDE10A assessed as hydrolysis of cAMP to AMP using [3H]cAMP substrate by scintillation proximity assay				Bioorg Med Chem Lett 22: 1335-9 (2012) Article DOI: 10.1016/j.bmcl.2011.12.080 BindingDB Entry DOI: 10.7270/Q2RF5VGF
					More data for this Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (Homo sapiens (Human))	BDBM50364344 (CHEMBL1950078) Show SMILES COc1ccc(cc1)C(O)c1c2c(C)n[nH]c2nc2c(C)cc(OC)cc12 Show InChI InChI=1S/C21H21N3O3/c1-11-9-15(27-4)10-16-18(17-12(2)23-24-21(17)22-19(11)16)20(25)13-5-7-14(26-3)8-6-13/h5-10,20,25H,1-4H3,(H,22,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human recombinant PDE10A assessed as hydrolysis of cAMP to AMP using [3H]cAMP substrate by scintillation proximity assay				Bioorg Med Chem Lett 22: 1335-9 (2012) Article DOI: 10.1016/j.bmcl.2011.12.080 BindingDB Entry DOI: 10.7270/Q2RF5VGF
					More data for this Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (Homo sapiens (Human))	BDBM50364333 (CHEMBL1950091) Show SMILES Cc1n[nH]c2nc3c(C)cc(Cl)cc3c(C(O)c3cnc(C)nc3)c12 Show InChI InChI=1S/C18H16ClN5O/c1-8-4-12(19)5-13-15(17(25)11-6-20-10(3)21-7-11)14-9(2)23-24-18(14)22-16(8)13/h4-7,17,25H,1-3H3,(H,22,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human recombinant PDE10A assessed as hydrolysis of cAMP to AMP using [3H]cAMP substrate by scintillation proximity assay				Bioorg Med Chem Lett 22: 1335-9 (2012) Article DOI: 10.1016/j.bmcl.2011.12.080 BindingDB Entry DOI: 10.7270/Q2RF5VGF
					More data for this Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (Homo sapiens (Human))	BDBM50364341 (CHEMBL1950082) Show SMILES COc1cc(C)c2nc3[nH]nc(C)c3c(c2c1)C(C)(O)c1ccncc1 Show InChI InChI=1S/C20H20N4O2/c1-11-9-14(26-4)10-15-17(20(3,25)13-5-7-21-8-6-13)16-12(2)23-24-19(16)22-18(11)15/h5-10,25H,1-4H3,(H,22,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human recombinant PDE10A assessed as hydrolysis of cAMP to AMP using [3H]cAMP substrate by scintillation proximity assay				Bioorg Med Chem Lett 22: 1335-9 (2012) Article DOI: 10.1016/j.bmcl.2011.12.080 BindingDB Entry DOI: 10.7270/Q2RF5VGF
					More data for this Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (Homo sapiens (Human))	BDBM50362043 (CHEMBL1940053) Show SMILES COc1cc(C)c2nc3[nH]nc(C)c3c(CN3CCCOCC3)c2c1 Show InChI InChI=1S/C19H24N4O2/c1-12-9-14(24-3)10-15-16(11-23-5-4-7-25-8-6-23)17-13(2)21-22-19(17)20-18(12)15/h9-10H,4-8,11H2,1-3H3,(H,20,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human recombinant PDE10A assessed as hydrolysis of cAMP to AMP using [3H]cAMP substrate by scintillation proximity assay				Bioorg Med Chem Lett 22: 1335-9 (2012) Article DOI: 10.1016/j.bmcl.2011.12.080 BindingDB Entry DOI: 10.7270/Q2RF5VGF
					More data for this Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (Homo sapiens (Human))	BDBM50364329 (CHEMBL1949937) Show SMILES COc1cc(C)c2nc3[nH]nc(C)c3c(C(O)c3cccnc3)c2c1 Show InChI InChI=1S/C19H18N4O2/c1-10-7-13(25-3)8-14-16(18(24)12-5-4-6-20-9-12)15-11(2)22-23-19(15)21-17(10)14/h4-9,18,24H,1-3H3,(H,21,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human recombinant PDE10A assessed as hydrolysis of cAMP to AMP using [3H]cAMP substrate by scintillation proximity assay				Bioorg Med Chem Lett 22: 1335-9 (2012) Article DOI: 10.1016/j.bmcl.2011.12.080 BindingDB Entry DOI: 10.7270/Q2RF5VGF
					More data for this Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (Homo sapiens (Human))	BDBM50364338 (CHEMBL1950086) Show SMILES Cc1n[nH]c2nc3c(C)cc(Cl)cc3c(C(O)c3cccnc3)c12 Show InChI InChI=1S/C18H15ClN4O/c1-9-6-12(19)7-13-15(17(24)11-4-3-5-20-8-11)14-10(2)22-23-18(14)21-16(9)13/h3-8,17,24H,1-2H3,(H,21,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human recombinant PDE10A assessed as hydrolysis of cAMP to AMP using [3H]cAMP substrate by scintillation proximity assay				Bioorg Med Chem Lett 22: 1335-9 (2012) Article DOI: 10.1016/j.bmcl.2011.12.080 BindingDB Entry DOI: 10.7270/Q2RF5VGF
					More data for this Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (Homo sapiens (Human))	BDBM50364343 (CHEMBL1950080) Show SMILES COc1cc(C)c2nc3[nH]nc(C)c3c(C(C#N)c3ccccc3)c2c1 Show InChI InChI=1S/C21H18N4O/c1-12-9-15(26-3)10-16-19(17(11-22)14-7-5-4-6-8-14)18-13(2)24-25-21(18)23-20(12)16/h4-10,17H,1-3H3,(H,23,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human recombinant PDE10A assessed as hydrolysis of cAMP to AMP using [3H]cAMP substrate by scintillation proximity assay				Bioorg Med Chem Lett 22: 1335-9 (2012) Article DOI: 10.1016/j.bmcl.2011.12.080 BindingDB Entry DOI: 10.7270/Q2RF5VGF
					More data for this Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (Homo sapiens (Human))	BDBM50364331 (CHEMBL1949941) Show SMILES COc1cc(C)c2nc3[nH]nc(C)c3c(C(O)c3cncn3C)c2c1 Show InChI InChI=1S/C18H19N5O2/c1-9-5-11(25-4)6-12-15(17(24)13-7-19-8-23(13)3)14-10(2)21-22-18(14)20-16(9)12/h5-8,17,24H,1-4H3,(H,20,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	21	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human recombinant PDE10A assessed as hydrolysis of cAMP to AMP using [3H]cAMP substrate by scintillation proximity assay				Bioorg Med Chem Lett 22: 1335-9 (2012) Article DOI: 10.1016/j.bmcl.2011.12.080 BindingDB Entry DOI: 10.7270/Q2RF5VGF
					More data for this Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (Homo sapiens (Human))	BDBM50364334 (CHEMBL1950090) Show SMILES Cc1n[nH]c2nc3c(C)cc(Cl)cc3c(C(O)c3cncn3C)c12 Show InChI InChI=1S/C17H16ClN5O/c1-8-4-10(18)5-11-14(16(24)12-6-19-7-23(12)3)13-9(2)21-22-17(13)20-15(8)11/h4-7,16,24H,1-3H3,(H,20,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	21	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human recombinant PDE10A assessed as hydrolysis of cAMP to AMP using [3H]cAMP substrate by scintillation proximity assay				Bioorg Med Chem Lett 22: 1335-9 (2012) Article DOI: 10.1016/j.bmcl.2011.12.080 BindingDB Entry DOI: 10.7270/Q2RF5VGF
					More data for this Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (Homo sapiens (Human))	BDBM50364337 (CHEMBL1950087) Show SMILES Cc1n[nH]c2nc3c(C)cc(Cl)cc3c(C(O)c3ccccn3)c12 Show InChI InChI=1S/C18H15ClN4O/c1-9-7-11(19)8-12-15(17(24)13-5-3-4-6-20-13)14-10(2)22-23-18(14)21-16(9)12/h3-8,17,24H,1-2H3,(H,21,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	39	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human recombinant PDE10A assessed as hydrolysis of cAMP to AMP using [3H]cAMP substrate by scintillation proximity assay				Bioorg Med Chem Lett 22: 1335-9 (2012) Article DOI: 10.1016/j.bmcl.2011.12.080 BindingDB Entry DOI: 10.7270/Q2RF5VGF
					More data for this Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (Homo sapiens (Human))	BDBM50364348 (CHEMBL1950077) Show SMILES COc1cc(C)c2nc3[nH]nc(C)c3c(C(O)c3ccccc3)c2c1 Show InChI InChI=1S/C20H19N3O2/c1-11-9-14(25-3)10-15-17(19(24)13-7-5-4-6-8-13)16-12(2)22-23-20(16)21-18(11)15/h4-10,19,24H,1-3H3,(H,21,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	50	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human recombinant PDE10A assessed as hydrolysis of cAMP to AMP using [3H]cAMP substrate by scintillation proximity assay				Bioorg Med Chem Lett 22: 1335-9 (2012) Article DOI: 10.1016/j.bmcl.2011.12.080 BindingDB Entry DOI: 10.7270/Q2RF5VGF
					More data for this Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (Homo sapiens (Human))	BDBM50364328 (CHEMBL1949938) Show SMILES COc1cc(C)c2nc3[nH]nc(C)c3c(C(O)c3ccccn3)c2c1 Show InChI InChI=1S/C19H18N4O2/c1-10-8-12(25-3)9-13-16(18(24)14-6-4-5-7-20-14)15-11(2)22-23-19(15)21-17(10)13/h4-9,18,24H,1-3H3,(H,21,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	54	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human recombinant PDE10A assessed as hydrolysis of cAMP to AMP using [3H]cAMP substrate by scintillation proximity assay				Bioorg Med Chem Lett 22: 1335-9 (2012) Article DOI: 10.1016/j.bmcl.2011.12.080 BindingDB Entry DOI: 10.7270/Q2RF5VGF
					More data for this Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (Homo sapiens (Human))	BDBM50364347 (CHEMBL1950079) Show SMILES COc1cc(C)c2nc3[nH]nc(C)c3c(C(O)c3ccc(F)cc3)c2c1 Show InChI InChI=1S/C20H18FN3O2/c1-10-8-14(26-3)9-15-17(19(25)12-4-6-13(21)7-5-12)16-11(2)23-24-20(16)22-18(10)15/h4-9,19,25H,1-3H3,(H,22,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	83	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human recombinant PDE10A assessed as hydrolysis of cAMP to AMP using [3H]cAMP substrate by scintillation proximity assay				Bioorg Med Chem Lett 22: 1335-9 (2012) Article DOI: 10.1016/j.bmcl.2011.12.080 BindingDB Entry DOI: 10.7270/Q2RF5VGF
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50364342 (CHEMBL1950081) Show SMILES COc1ccc(cc1)C(C#N)c1c2c(C)n[nH]c2nc2c(C)cc(OC)cc12 Show InChI InChI=1S/C22H20N4O2/c1-12-9-16(28-4)10-17-20(19-13(2)25-26-22(19)24-21(12)17)18(11-23)14-5-7-15(27-3)8-6-14/h5-10,18H,1-4H3,(H,24,25,26)	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	300	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Reversible inhibition of CYP3A4				Bioorg Med Chem Lett 22: 1335-9 (2012) Article DOI: 10.1016/j.bmcl.2011.12.080 BindingDB Entry DOI: 10.7270/Q2RF5VGF
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50364340 (CHEMBL1950084) Show SMILES COc1cc(C)c2nc3[nH]nc(C)c3c(C(F)c3ccncc3)c2c1 Show InChI InChI=1S/C19H17FN4O/c1-10-8-13(25-3)9-14-16(17(20)12-4-6-21-7-5-12)15-11(2)23-24-19(15)22-18(10)14/h4-9,17H,1-3H3,(H,22,23,24)	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	300	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Reversible inhibition of CYP3A4				Bioorg Med Chem Lett 22: 1335-9 (2012) Article DOI: 10.1016/j.bmcl.2011.12.080 BindingDB Entry DOI: 10.7270/Q2RF5VGF
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50364339 (CHEMBL1950085) Show SMILES Cc1n[nH]c2nc3c(C)cc(Cl)cc3c(C(O)c3ccncc3)c12 Show InChI InChI=1S/C18H15ClN4O/c1-9-7-12(19)8-13-15(17(24)11-3-5-20-6-4-11)14-10(2)22-23-18(14)21-16(9)13/h3-8,17,24H,1-2H3,(H,21,22,23)	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	300	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Reversible inhibition of CYP3A4				Bioorg Med Chem Lett 22: 1335-9 (2012) Article DOI: 10.1016/j.bmcl.2011.12.080 BindingDB Entry DOI: 10.7270/Q2RF5VGF
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50364334 (CHEMBL1950090) Show SMILES Cc1n[nH]c2nc3c(C)cc(Cl)cc3c(C(O)c3cncn3C)c12 Show InChI InChI=1S/C17H16ClN5O/c1-8-4-10(18)5-11-14(16(24)12-6-19-7-23(12)3)13-9(2)21-22-17(13)20-15(8)11/h4-7,16,24H,1-3H3,(H,20,21,22)	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	300	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Reversible inhibition of CYP3A4				Bioorg Med Chem Lett 22: 1335-9 (2012) Article DOI: 10.1016/j.bmcl.2011.12.080 BindingDB Entry DOI: 10.7270/Q2RF5VGF
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50364339 (CHEMBL1950085) Show SMILES Cc1n[nH]c2nc3c(C)cc(Cl)cc3c(C(O)c3ccncc3)c12 Show InChI InChI=1S/C18H15ClN4O/c1-9-7-12(19)8-13-15(17(24)11-3-5-20-6-4-11)14-10(2)22-23-18(14)21-16(9)13/h3-8,17,24H,1-2H3,(H,21,22,23)	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	500	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Time dependent inhibition of CYP3A4				Bioorg Med Chem Lett 22: 1335-9 (2012) Article DOI: 10.1016/j.bmcl.2011.12.080 BindingDB Entry DOI: 10.7270/Q2RF5VGF
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50364327 (CHEMBL1949939) Show SMILES COc1cc(C)c2nc3[nH]nc(C)c3c(C(O)c3ccnc(F)c3)c2c1 Show InChI InChI=1S/C19H17FN4O2/c1-9-6-12(26-3)8-13-16(18(25)11-4-5-21-14(20)7-11)15-10(2)23-24-19(15)22-17(9)13/h4-8,18,25H,1-3H3,(H,22,23,24)	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	600	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Reversible inhibition of CYP3A4				Bioorg Med Chem Lett 22: 1335-9 (2012) Article DOI: 10.1016/j.bmcl.2011.12.080 BindingDB Entry DOI: 10.7270/Q2RF5VGF
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50364345 (CHEMBL1949942) Show SMILES COc1cc(C)c2nc3[nH]nc(C)c3c(C(O)c3cncs3)c2c1 Show InChI InChI=1S/C17H16N4O2S/c1-8-4-10(23-3)5-11-14(16(22)12-6-18-7-24-12)13-9(2)20-21-17(13)19-15(8)11/h4-7,16,22H,1-3H3,(H,19,20,21)	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	700	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Time dependent inhibition of CYP3A4				Bioorg Med Chem Lett 22: 1335-9 (2012) Article DOI: 10.1016/j.bmcl.2011.12.080 BindingDB Entry DOI: 10.7270/Q2RF5VGF
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50364334 (CHEMBL1950090) Show SMILES Cc1n[nH]c2nc3c(C)cc(Cl)cc3c(C(O)c3cncn3C)c12 Show InChI InChI=1S/C17H16ClN5O/c1-8-4-10(18)5-11-14(16(24)12-6-19-7-23(12)3)13-9(2)21-22-17(13)20-15(8)11/h4-7,16,24H,1-3H3,(H,20,21,22)	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 Research Laboratories Curated by ChEMBL					Assay Description Time dependent inhibition of CYP3A4				Bioorg Med Chem Lett 22: 1335-9 (2012) Article DOI: 10.1016/j.bmcl.2011.12.080 BindingDB Entry DOI: 10.7270/Q2RF5VGF
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50364343 (CHEMBL1950080) Show SMILES COc1cc(C)c2nc3[nH]nc(C)c3c(C(C#N)c3ccccc3)c2c1 Show InChI InChI=1S/C21H18N4O/c1-12-9-15(26-3)10-16-19(17(11-22)14-7-5-4-6-8-14)18-13(2)24-25-21(18)23-20(12)16/h4-10,17H,1-3H3,(H,23,24,25)	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	800	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Reversible inhibition of CYP3A4				Bioorg Med Chem Lett 22: 1335-9 (2012) Article DOI: 10.1016/j.bmcl.2011.12.080 BindingDB Entry DOI: 10.7270/Q2RF5VGF
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50364335 (CHEMBL1950089) Show SMILES Cc1n[nH]c2nc3c(C)cc(Cl)cc3c(C(O)c3ncco3)c12 Show InChI InChI=1S/C16H13ClN4O2/c1-7-5-9(17)6-10-12(14(22)16-18-3-4-23-16)11-8(2)20-21-15(11)19-13(7)10/h3-6,14,22H,1-2H3,(H,19,20,21)	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+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Time dependent inhibition of CYP3A4				Bioorg Med Chem Lett 22: 1335-9 (2012) Article DOI: 10.1016/j.bmcl.2011.12.080 BindingDB Entry DOI: 10.7270/Q2RF5VGF
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50364338 (CHEMBL1950086) Show SMILES Cc1n[nH]c2nc3c(C)cc(Cl)cc3c(C(O)c3cccnc3)c12 Show InChI InChI=1S/C18H15ClN4O/c1-9-6-12(19)7-13-15(17(24)11-4-3-5-20-8-11)14-10(2)22-23-18(14)21-16(9)13/h3-8,17,24H,1-2H3,(H,21,22,23)	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	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Reversible inhibition of CYP3A4				Bioorg Med Chem Lett 22: 1335-9 (2012) Article DOI: 10.1016/j.bmcl.2011.12.080 BindingDB Entry DOI: 10.7270/Q2RF5VGF
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50364344 (CHEMBL1950078) Show SMILES COc1ccc(cc1)C(O)c1c2c(C)n[nH]c2nc2c(C)cc(OC)cc12 Show InChI InChI=1S/C21H21N3O3/c1-11-9-15(27-4)10-16-18(17-12(2)23-24-21(17)22-19(11)16)20(25)13-5-7-14(26-3)8-6-13/h5-10,20,25H,1-4H3,(H,22,23,24)	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	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Time dependent inhibition of CYP3A4				Bioorg Med Chem Lett 22: 1335-9 (2012) Article DOI: 10.1016/j.bmcl.2011.12.080 BindingDB Entry DOI: 10.7270/Q2RF5VGF
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50364331 (CHEMBL1949941) Show SMILES COc1cc(C)c2nc3[nH]nc(C)c3c(C(O)c3cncn3C)c2c1 Show InChI InChI=1S/C18H19N5O2/c1-9-5-11(25-4)6-12-15(17(24)13-7-19-8-23(13)3)14-10(2)21-22-18(14)20-16(9)12/h5-8,17,24H,1-4H3,(H,20,21,22)	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	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Reversible inhibition of CYP3A4				Bioorg Med Chem Lett 22: 1335-9 (2012) Article DOI: 10.1016/j.bmcl.2011.12.080 BindingDB Entry DOI: 10.7270/Q2RF5VGF
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50364337 (CHEMBL1950087) Show SMILES Cc1n[nH]c2nc3c(C)cc(Cl)cc3c(C(O)c3ccccn3)c12 Show InChI InChI=1S/C18H15ClN4O/c1-9-7-11(19)8-12-15(17(24)13-5-3-4-6-20-13)14-10(2)22-23-18(14)21-16(9)12/h3-8,17,24H,1-2H3,(H,21,22,23)	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	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Reversible inhibition of CYP3A4				Bioorg Med Chem Lett 22: 1335-9 (2012) Article DOI: 10.1016/j.bmcl.2011.12.080 BindingDB Entry DOI: 10.7270/Q2RF5VGF
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50364338 (CHEMBL1950086) Show SMILES Cc1n[nH]c2nc3c(C)cc(Cl)cc3c(C(O)c3cccnc3)c12 Show InChI InChI=1S/C18H15ClN4O/c1-9-6-12(19)7-13-15(17(24)11-4-3-5-20-8-11)14-10(2)22-23-18(14)21-16(9)13/h3-8,17,24H,1-2H3,(H,21,22,23)	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	2.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Time dependent inhibition of CYP3A4				Bioorg Med Chem Lett 22: 1335-9 (2012) Article DOI: 10.1016/j.bmcl.2011.12.080 BindingDB Entry DOI: 10.7270/Q2RF5VGF
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50364329 (CHEMBL1949937) Show SMILES COc1cc(C)c2nc3[nH]nc(C)c3c(C(O)c3cccnc3)c2c1 Show InChI InChI=1S/C19H18N4O2/c1-10-7-13(25-3)8-14-16(18(24)12-5-4-6-20-9-12)15-11(2)22-23-19(15)21-17(10)14/h4-9,18,24H,1-3H3,(H,21,22,23)	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	2.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Time dependent inhibition of CYP3A4				Bioorg Med Chem Lett 22: 1335-9 (2012) Article DOI: 10.1016/j.bmcl.2011.12.080 BindingDB Entry DOI: 10.7270/Q2RF5VGF
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50364330 (CHEMBL1949936) Show SMILES COc1cc(C)c2nc3[nH]nc(C)c3c(C(O)c3ccncc3)c2c1 Show InChI InChI=1S/C19H18N4O2/c1-10-8-13(25-3)9-14-16(18(24)12-4-6-20-7-5-12)15-11(2)22-23-19(15)21-17(10)14/h4-9,18,24H,1-3H3,(H,21,22,23)	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	2.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Reversible inhibition of CYP3A4				Bioorg Med Chem Lett 22: 1335-9 (2012) Article DOI: 10.1016/j.bmcl.2011.12.080 BindingDB Entry DOI: 10.7270/Q2RF5VGF
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50364330 (CHEMBL1949936) Show SMILES COc1cc(C)c2nc3[nH]nc(C)c3c(C(O)c3ccncc3)c2c1 Show InChI InChI=1S/C19H18N4O2/c1-10-8-13(25-3)9-14-16(18(24)12-4-6-20-7-5-12)15-11(2)22-23-19(15)21-17(10)14/h4-9,18,24H,1-3H3,(H,21,22,23)	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	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Time dependent inhibition of CYP3A4				Bioorg Med Chem Lett 22: 1335-9 (2012) Article DOI: 10.1016/j.bmcl.2011.12.080 BindingDB Entry DOI: 10.7270/Q2RF5VGF
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50364327 (CHEMBL1949939) Show SMILES COc1cc(C)c2nc3[nH]nc(C)c3c(C(O)c3ccnc(F)c3)c2c1 Show InChI InChI=1S/C19H17FN4O2/c1-9-6-12(26-3)8-13-16(18(25)11-4-5-21-14(20)7-11)15-10(2)23-24-19(15)22-17(9)13/h4-8,18,25H,1-3H3,(H,22,23,24)	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	4.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Time dependent inhibition of CYP3A4				Bioorg Med Chem Lett 22: 1335-9 (2012) Article DOI: 10.1016/j.bmcl.2011.12.080 BindingDB Entry DOI: 10.7270/Q2RF5VGF
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50364332 (CHEMBL1949940) Show SMILES COc1cc(C)c2nc3[nH]nc(C)c3c(C(O)c3ncco3)c2c1 Show InChI InChI=1S/C17H16N4O3/c1-8-6-10(23-3)7-11-13(15(22)17-18-4-5-24-17)12-9(2)20-21-16(12)19-14(8)11/h4-7,15,22H,1-3H3,(H,19,20,21)	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	4.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Reversible inhibition of CYP3A4				Bioorg Med Chem Lett 22: 1335-9 (2012) Article DOI: 10.1016/j.bmcl.2011.12.080 BindingDB Entry DOI: 10.7270/Q2RF5VGF
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50364328 (CHEMBL1949938) Show SMILES COc1cc(C)c2nc3[nH]nc(C)c3c(C(O)c3ccccn3)c2c1 Show InChI InChI=1S/C19H18N4O2/c1-10-8-12(25-3)9-13-16(18(24)14-6-4-5-7-20-14)15-11(2)22-23-19(15)21-17(10)13/h4-9,18,24H,1-3H3,(H,21,22,23)	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	4.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Reversible inhibition of CYP3A4				Bioorg Med Chem Lett 22: 1335-9 (2012) Article DOI: 10.1016/j.bmcl.2011.12.080 BindingDB Entry DOI: 10.7270/Q2RF5VGF
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50364331 (CHEMBL1949941) Show SMILES COc1cc(C)c2nc3[nH]nc(C)c3c(C(O)c3cncn3C)c2c1 Show InChI InChI=1S/C18H19N5O2/c1-9-5-11(25-4)6-12-15(17(24)13-7-19-8-23(13)3)14-10(2)21-22-18(14)20-16(9)12/h5-8,17,24H,1-4H3,(H,20,21,22)	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	4.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Time dependent inhibition of CYP3A4				Bioorg Med Chem Lett 22: 1335-9 (2012) Article DOI: 10.1016/j.bmcl.2011.12.080 BindingDB Entry DOI: 10.7270/Q2RF5VGF
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50364341 (CHEMBL1950082) Show SMILES COc1cc(C)c2nc3[nH]nc(C)c3c(c2c1)C(C)(O)c1ccncc1 Show InChI InChI=1S/C20H20N4O2/c1-11-9-14(26-4)10-15-17(20(3,25)13-5-7-21-8-6-13)16-12(2)23-24-19(16)22-18(11)15/h5-10,25H,1-4H3,(H,22,23,24)	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	7.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Reversible inhibition of CYP3A4				Bioorg Med Chem Lett 22: 1335-9 (2012) Article DOI: 10.1016/j.bmcl.2011.12.080 BindingDB Entry DOI: 10.7270/Q2RF5VGF
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50364335 (CHEMBL1950089) Show SMILES Cc1n[nH]c2nc3c(C)cc(Cl)cc3c(C(O)c3ncco3)c12 Show InChI InChI=1S/C16H13ClN4O2/c1-7-5-9(17)6-10-12(14(22)16-18-3-4-23-16)11-8(2)20-21-15(11)19-13(7)10/h3-6,14,22H,1-2H3,(H,19,20,21)	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	7.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Reversible inhibition of CYP3A4				Bioorg Med Chem Lett 22: 1335-9 (2012) Article DOI: 10.1016/j.bmcl.2011.12.080 BindingDB Entry DOI: 10.7270/Q2RF5VGF
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50364332 (CHEMBL1949940) Show SMILES COc1cc(C)c2nc3[nH]nc(C)c3c(C(O)c3ncco3)c2c1 Show InChI InChI=1S/C17H16N4O3/c1-8-6-10(23-3)7-11-13(15(22)17-18-4-5-24-17)12-9(2)20-21-16(12)19-14(8)11/h4-7,15,22H,1-3H3,(H,19,20,21)	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	7.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Time dependent inhibition of CYP3A4				Bioorg Med Chem Lett 22: 1335-9 (2012) Article DOI: 10.1016/j.bmcl.2011.12.080 BindingDB Entry DOI: 10.7270/Q2RF5VGF
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50364333 (CHEMBL1950091) Show SMILES Cc1n[nH]c2nc3c(C)cc(Cl)cc3c(C(O)c3cnc(C)nc3)c12 Show InChI InChI=1S/C18H16ClN5O/c1-8-4-12(19)5-13-15(17(25)11-6-20-10(3)21-7-11)14-9(2)23-24-18(14)22-16(8)13/h4-7,17,25H,1-3H3,(H,22,23,24)	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	7.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Reversible inhibition of CYP3A4				Bioorg Med Chem Lett 22: 1335-9 (2012) Article DOI: 10.1016/j.bmcl.2011.12.080 BindingDB Entry DOI: 10.7270/Q2RF5VGF
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50364328 (CHEMBL1949938) Show SMILES COc1cc(C)c2nc3[nH]nc(C)c3c(C(O)c3ccccn3)c2c1 Show InChI InChI=1S/C19H18N4O2/c1-10-8-12(25-3)9-13-16(18(24)14-6-4-5-7-20-14)15-11(2)22-23-19(15)21-17(10)13/h4-9,18,24H,1-3H3,(H,21,22,23)	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	1.06E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Time dependent inhibition of CYP3A4				Bioorg Med Chem Lett 22: 1335-9 (2012) Article DOI: 10.1016/j.bmcl.2011.12.080 BindingDB Entry DOI: 10.7270/Q2RF5VGF
					More data for this Ligand-Target Pair

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