Compile Data Set for Download or QSAR

Found 29 hits Enz. Inhib. hit(s) with all data for entry = 2505   

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
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM21351 (4-{[3-(2-aminoethyl)-1H-indole-1-]sulfonyl}aniline...) Show SMILES NCCc1cn(c2ccccc12)S(=O)(=O)c1ccc(N)cc1 Show InChI InChI=1S/C16H17N3O2S/c17-10-9-12-11-19(16-4-2-1-3-15(12)16)22(20,21)14-7-5-13(18)6-8-14/h1-8,11H,9-10,17-18H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1	-50.9	n/a	n/a	91	n/a	n/a	7.4	22
Wyeth Research					Assay Description IC50 values for each test compound were determined from nonlinear regression analysis of data collected from ligand binding experiments. The inhibiti...				J Med Chem 50: 5535-8 (2007) Article DOI: 10.1021/jm070521y BindingDB Entry DOI: 10.7270/Q23R0R5G
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM21358 (2-[1-({6-chloroimidazo[2,1-b][1,3]thiazole-5-}sulf...) Show SMILES NCCc1cn(c2ccccc12)S(=O)(=O)c1c(Cl)nc2sccn12 Show InChI InChI=1S/C15H13ClN4O2S2/c16-13-14(19-7-8-23-15(19)18-13)24(21,22)20-9-10(5-6-17)11-3-1-2-4-12(11)20/h1-4,7-9H,5-6,17H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	2	-49.2	n/a	n/a	6.5	n/a	n/a	7.4	22
Wyeth Research					Assay Description IC50 values for each test compound were determined from nonlinear regression analysis of data collected from ligand binding experiments. The inhibiti...				J Med Chem 50: 5535-8 (2007) Article DOI: 10.1021/jm070521y BindingDB Entry DOI: 10.7270/Q23R0R5G
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM21345 (2-{1-[(3-chlorobenzene)sulfonyl]-1H-indol-3-yl}eth...) Show SMILES NCCc1cn(c2ccccc12)S(=O)(=O)c1cccc(Cl)c1 Show InChI InChI=1S/C16H15ClN2O2S/c17-13-4-3-5-14(10-13)22(20,21)19-11-12(8-9-18)15-6-1-2-7-16(15)19/h1-7,10-11H,8-9,18H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	6	-46.5	n/a	n/a	109	n/a	n/a	7.4	22
Wyeth Research					Assay Description IC50 values for each test compound were determined from nonlinear regression analysis of data collected from ligand binding experiments. The inhibiti...				J Med Chem 50: 5535-8 (2007) Article DOI: 10.1021/jm070521y BindingDB Entry DOI: 10.7270/Q23R0R5G
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM21354 (2-{1-[(5-chlorothiophene-2-)sulfonyl]-1H-indol-3-y...) Show SMILES NCCc1cn(c2ccccc12)S(=O)(=O)c1ccc(Cl)s1 Show InChI InChI=1S/C14H13ClN2O2S2/c15-13-5-6-14(20-13)21(18,19)17-9-10(7-8-16)11-3-1-2-4-12(11)17/h1-6,9H,7-8,16H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	6	-46.5	n/a	n/a	181	n/a	n/a	7.4	22
Wyeth Research					Assay Description IC50 values for each test compound were determined from nonlinear regression analysis of data collected from ligand binding experiments. The inhibiti...				J Med Chem 50: 5535-8 (2007) Article DOI: 10.1021/jm070521y BindingDB Entry DOI: 10.7270/Q23R0R5G
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM21355 (2-{1-[(5-bromothiophene-2-)sulfonyl]-1H-indol-3-yl...) Show SMILES NCCc1cn(c2ccccc12)S(=O)(=O)c1ccc(Br)s1 Show InChI InChI=1S/C14H13BrN2O2S2/c15-13-5-6-14(20-13)21(18,19)17-9-10(7-8-16)11-3-1-2-4-12(11)17/h1-6,9H,7-8,16H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	7	-46.1	n/a	n/a	54	n/a	n/a	7.4	22
Wyeth Research					Assay Description IC50 values for each test compound were determined from nonlinear regression analysis of data collected from ligand binding experiments. The inhibiti...				J Med Chem 50: 5535-8 (2007) Article DOI: 10.1021/jm070521y BindingDB Entry DOI: 10.7270/Q23R0R5G
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM21353 (2-{1-[(3,4-dimethoxybenzene)sulfonyl]-1H-indol-3-y...) Show SMILES COc1ccc(cc1OC)S(=O)(=O)n1cc(CCN)c2ccccc12 Show InChI InChI=1S/C18H20N2O4S/c1-23-17-8-7-14(11-18(17)24-2)25(21,22)20-12-13(9-10-19)15-5-3-4-6-16(15)20/h3-8,11-12H,9-10,19H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	7	-46.1	n/a	n/a	17.5	n/a	n/a	7.4	22
Wyeth Research					Assay Description IC50 values for each test compound were determined from nonlinear regression analysis of data collected from ligand binding experiments. The inhibiti...				J Med Chem 50: 5535-8 (2007) Article DOI: 10.1021/jm070521y BindingDB Entry DOI: 10.7270/Q23R0R5G
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM21365 (3-[(E)-{1-[1-(benzenesulfonyl)-1H-indol-3-yl]ethyl...) Show SMILES [#6]-[#6](=[#7]\[#7]=[#6](/[#7])-[#7])-c1cn(c2ccccc12)S(=O)(=O)c1ccccc1 |w:2.2| Show InChI InChI=1S/C17H17N5O2S/c1-12(20-21-17(18)19)15-11-22(16-10-6-5-9-14(15)16)25(23,24)13-7-3-2-4-8-13/h2-11H,1H3,(H4,18,19,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	8	-45.7	n/a	n/a	n/a	n/a	n/a	7.4	22
Wyeth Research					Assay Description IC50 values for each test compound were determined from nonlinear regression analysis of data collected from ligand binding experiments. The inhibiti...				J Med Chem 50: 5535-8 (2007) Article DOI: 10.1021/jm070521y BindingDB Entry DOI: 10.7270/Q23R0R5G
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM21349 (2-{1-[(4-methylbenzene)sulfonyl]-1H-indol-3-yl}eth...) Show SMILES Cc1ccc(cc1)S(=O)(=O)n1cc(CCN)c2ccccc12 Show InChI InChI=1S/C17H18N2O2S/c1-13-6-8-15(9-7-13)22(20,21)19-12-14(10-11-18)16-4-2-3-5-17(16)19/h2-9,12H,10-11,18H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	8	-45.7	n/a	n/a	191	n/a	n/a	7.4	22
Wyeth Research					Assay Description IC50 values for each test compound were determined from nonlinear regression analysis of data collected from ligand binding experiments. The inhibiti...				J Med Chem 50: 5535-8 (2007) Article DOI: 10.1021/jm070521y BindingDB Entry DOI: 10.7270/Q23R0R5G
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM21357 (5-thiazolylsulfonyl tryptamine, 11p | 5-{[3-(2-ami...) Show SMILES Cc1nc(N)sc1S(=O)(=O)n1cc(CCN)c2ccccc12 Show InChI InChI=1S/C14H16N4O2S2/c1-9-13(21-14(16)17-9)22(19,20)18-8-10(6-7-15)11-4-2-3-5-12(11)18/h2-5,8H,6-7,15H2,1H3,(H2,16,17)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	10	-45.2	n/a	n/a	9.60	n/a	n/a	7.4	22
Wyeth Research					Assay Description IC50 values for each test compound were determined from nonlinear regression analysis of data collected from ligand binding experiments. The inhibiti...				J Med Chem 50: 5535-8 (2007) Article DOI: 10.1021/jm070521y BindingDB Entry DOI: 10.7270/Q23R0R5G
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM21341 (2-[1-(benzenesulfonyl)-1H-indol-3-yl]ethan-1-amine...) Show SMILES NCCc1cn(c2ccccc12)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C16H16N2O2S/c17-11-10-13-12-18(16-9-5-4-8-15(13)16)21(19,20)14-6-2-1-3-7-14/h1-9,12H,10-11,17H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	10	-45.2	n/a	n/a	73	n/a	n/a	7.4	22
Wyeth Research					Assay Description IC50 values for each test compound were determined from nonlinear regression analysis of data collected from ligand binding experiments. The inhibiti...				J Med Chem 50: 5535-8 (2007) Article DOI: 10.1021/jm070521y BindingDB Entry DOI: 10.7270/Q23R0R5G
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM21347 (2-{1-[(4-chlorobenzene)sulfonyl]-1H-indol-3-yl}eth...) Show SMILES NCCc1cn(c2ccccc12)S(=O)(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C16H15ClN2O2S/c17-13-5-7-14(8-6-13)22(20,21)19-11-12(9-10-18)15-3-1-2-4-16(15)19/h1-8,11H,9-10,18H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	10	-45.2	n/a	n/a	174	n/a	n/a	7.4	22
Wyeth Research					Assay Description IC50 values for each test compound were determined from nonlinear regression analysis of data collected from ligand binding experiments. The inhibiti...				J Med Chem 50: 5535-8 (2007) Article DOI: 10.1021/jm070521y BindingDB Entry DOI: 10.7270/Q23R0R5G
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM21366 ((2-{3-[(3-fluorobenzene)sulfonyl]-1H-indol-1-yl}et...) Show SMILES CN(C)CCn1cc(c2ccccc12)S(=O)(=O)c1cccc(F)c1 Show InChI InChI=1S/C18H19FN2O2S/c1-20(2)10-11-21-13-18(16-8-3-4-9-17(16)21)24(22,23)15-7-5-6-14(19)12-15/h3-9,12-13H,10-11H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	10.3	-45.1	n/a	n/a	n/a	n/a	n/a	7.4	22
Wyeth Research					Assay Description IC50 values for each test compound were determined from nonlinear regression analysis of data collected from ligand binding experiments. The inhibiti...				J Med Chem 50: 5535-8 (2007) Article DOI: 10.1021/jm070521y BindingDB Entry DOI: 10.7270/Q23R0R5G
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM21343 (2-{1-[(2-bromobenzene)sulfonyl]-1H-indol-3-yl}etha...) Show SMILES NCCc1cn(c2ccccc12)S(=O)(=O)c1ccccc1Br Show InChI InChI=1S/C16H15BrN2O2S/c17-14-6-2-4-8-16(14)22(20,21)19-11-12(9-10-18)13-5-1-3-7-15(13)19/h1-8,11H,9-10,18H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	11	-45.0	n/a	n/a	148	n/a	n/a	7.4	22
Wyeth Research					Assay Description IC50 values for each test compound were determined from nonlinear regression analysis of data collected from ligand binding experiments. The inhibiti...				J Med Chem 50: 5535-8 (2007) Article DOI: 10.1021/jm070521y BindingDB Entry DOI: 10.7270/Q23R0R5G
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM21348 (2-{1-[(4-iodobenzene)sulfonyl]-1H-indol-3-yl}ethan...) Show SMILES NCCc1cn(c2ccccc12)S(=O)(=O)c1ccc(I)cc1 Show InChI InChI=1S/C16H15IN2O2S/c17-13-5-7-14(8-6-13)22(20,21)19-11-12(9-10-18)15-3-1-2-4-16(15)19/h1-8,11H,9-10,18H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	14	-44.4	n/a	n/a	n/a	n/a	n/a	7.4	22
Wyeth Research					Assay Description IC50 values for each test compound were determined from nonlinear regression analysis of data collected from ligand binding experiments. The inhibiti...				J Med Chem 50: 5535-8 (2007) Article DOI: 10.1021/jm070521y BindingDB Entry DOI: 10.7270/Q23R0R5G
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM21344 (2-{1-[(2-iodobenzene)sulfonyl]-1H-indol-3-yl}ethan...) Show SMILES NCCc1cn(c2ccccc12)S(=O)(=O)c1ccccc1I Show InChI InChI=1S/C16H15IN2O2S/c17-14-6-2-4-8-16(14)22(20,21)19-11-12(9-10-18)13-5-1-3-7-15(13)19/h1-8,11H,9-10,18H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	16	-44.0	n/a	n/a	n/a	n/a	n/a	7.4	22
Wyeth Research					Assay Description IC50 values for each test compound were determined from nonlinear regression analysis of data collected from ligand binding experiments. The inhibiti...				J Med Chem 50: 5535-8 (2007) Article DOI: 10.1021/jm070521y BindingDB Entry DOI: 10.7270/Q23R0R5G
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM21346 (2-{1-[(4-fluorobenzene)sulfonyl]-1H-indol-3-yl}eth...) Show SMILES NCCc1cn(c2ccccc12)S(=O)(=O)c1ccc(F)cc1 Show InChI InChI=1S/C16H15FN2O2S/c17-13-5-7-14(8-6-13)22(20,21)19-11-12(9-10-18)15-3-1-2-4-16(15)19/h1-8,11H,9-10,18H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	21	-43.4	n/a	n/a	n/a	n/a	n/a	7.4	22
Wyeth Research					Assay Description IC50 values for each test compound were determined from nonlinear regression analysis of data collected from ligand binding experiments. The inhibiti...				J Med Chem 50: 5535-8 (2007) Article DOI: 10.1021/jm070521y BindingDB Entry DOI: 10.7270/Q23R0R5G
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM21364 (3-[(E)-[(5-bromo-1H-indol-3-yl)methylidene]amino]g...) Show SMILES NC(N)=NN=Cc1c[nH]c2ccc(Br)cc12 |w:5.5,(2.73,6.82,;1.96,8.16,;2.73,9.49,;.42,8.16,;-.35,6.82,;-1.86,6.5,;-2.34,5.04,;-1.43,3.79,;-2.34,2.55,;-3.8,3.02,;-5.13,2.25,;-6.47,3.02,;-6.47,4.56,;-7.8,5.33,;-5.13,5.33,;-3.8,4.56,)| Show InChI InChI=1S/C10H10BrN5/c11-7-1-2-9-8(3-7)6(4-14-9)5-15-16-10(12)13/h1-5,14H,(H4,12,13,16)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	25	-43.0	n/a	n/a	n/a	n/a	n/a	7.4	22
Wyeth Research					Assay Description IC50 values for each test compound were determined from nonlinear regression analysis of data collected from ligand binding experiments. The inhibiti...				J Med Chem 50: 5535-8 (2007) Article DOI: 10.1021/jm070521y BindingDB Entry DOI: 10.7270/Q23R0R5G
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM21352 (2-{1-[(3,4-dichlorobenzene)sulfonyl]-1H-indol-3-yl...) Show SMILES NCCc1cn(c2ccccc12)S(=O)(=O)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C16H14Cl2N2O2S/c17-14-6-5-12(9-15(14)18)23(21,22)20-10-11(7-8-19)13-3-1-2-4-16(13)20/h1-6,9-10H,7-8,19H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	30	-42.5	n/a	n/a	n/a	n/a	n/a	7.4	22
Wyeth Research					Assay Description IC50 values for each test compound were determined from nonlinear regression analysis of data collected from ligand binding experiments. The inhibiti...				J Med Chem 50: 5535-8 (2007) Article DOI: 10.1021/jm070521y BindingDB Entry DOI: 10.7270/Q23R0R5G
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM21356 (2-{1-[(4,5-dichlorothiophene-2-)sulfonyl]-1H-indol...) Show SMILES NCCc1cn(c2ccccc12)S(=O)(=O)c1cc(Cl)c(Cl)s1 Show InChI InChI=1S/C14H12Cl2N2O2S2/c15-11-7-13(21-14(11)16)22(19,20)18-8-9(5-6-17)10-3-1-2-4-12(10)18/h1-4,7-8H,5-6,17H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	31	-42.4	n/a	n/a	n/a	n/a	n/a	7.4	22
Wyeth Research					Assay Description IC50 values for each test compound were determined from nonlinear regression analysis of data collected from ligand binding experiments. The inhibiti...				J Med Chem 50: 5535-8 (2007) Article DOI: 10.1021/jm070521y BindingDB Entry DOI: 10.7270/Q23R0R5G
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM21350 (2-{1-[(4-methoxybenzene)sulfonyl]-1H-indol-3-yl}et...) Show SMILES COc1ccc(cc1)S(=O)(=O)n1cc(CCN)c2ccccc12 Show InChI InChI=1S/C17H18N2O3S/c1-22-14-6-8-15(9-7-14)23(20,21)19-12-13(10-11-18)16-4-2-3-5-17(16)19/h2-9,12H,10-11,18H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	47	-41.4	n/a	n/a	n/a	n/a	n/a	7.4	22
Wyeth Research					Assay Description IC50 values for each test compound were determined from nonlinear regression analysis of data collected from ligand binding experiments. The inhibiti...				J Med Chem 50: 5535-8 (2007) Article DOI: 10.1021/jm070521y BindingDB Entry DOI: 10.7270/Q23R0R5G
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM21358 (2-[1-({6-chloroimidazo[2,1-b][1,3]thiazole-5-}sulf...) Show SMILES NCCc1cn(c2ccccc12)S(=O)(=O)c1c(Cl)nc2sccn12 Show InChI InChI=1S/C15H13ClN4O2S2/c16-13-14(19-7-8-23-15(19)18-13)24(21,22)20-9-10(5-6-17)11-3-1-2-4-12(11)20/h1-4,7-9H,5-6,17H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	124	-39.0	n/a	n/a	n/a	n/a	n/a	7.4	22
Wyeth Research					Assay Description IC50 values for each test compound were determined from nonlinear regression analysis of data collected from ligand binding experiments. The inhibiti...				J Med Chem 50: 5535-8 (2007) Article DOI: 10.1021/jm070521y BindingDB Entry DOI: 10.7270/Q23R0R5G
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2B (Homo sapiens (Human))	BDBM21358 (2-[1-({6-chloroimidazo[2,1-b][1,3]thiazole-5-}sulf...) Show SMILES NCCc1cn(c2ccccc12)S(=O)(=O)c1c(Cl)nc2sccn12 Show InChI InChI=1S/C15H13ClN4O2S2/c16-13-14(19-7-8-23-15(19)18-13)24(21,22)20-9-10(5-6-17)11-3-1-2-4-12(11)20/h1-4,7-9H,5-6,17H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	458	-35.8	n/a	n/a	n/a	n/a	n/a	7.4	22
Wyeth Research					Assay Description IC50 values for each test compound were determined from nonlinear regression analysis of data collected from ligand binding experiments. The inhibiti...				J Med Chem 50: 5535-8 (2007) Article DOI: 10.1021/jm070521y BindingDB Entry DOI: 10.7270/Q23R0R5G
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 7 (Homo sapiens (Human))	BDBM21358 (2-[1-({6-chloroimidazo[2,1-b][1,3]thiazole-5-}sulf...) Show SMILES NCCc1cn(c2ccccc12)S(=O)(=O)c1c(Cl)nc2sccn12 Show InChI InChI=1S/C15H13ClN4O2S2/c16-13-14(19-7-8-23-15(19)18-13)24(21,22)20-9-10(5-6-17)11-3-1-2-4-12(11)20/h1-4,7-9H,5-6,17H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	679	-34.9	n/a	n/a	n/a	n/a	n/a	7.4	22
Wyeth Research					Assay Description IC50 values for each test compound were determined from nonlinear regression analysis of data collected from ligand binding experiments. The inhibiti...				J Med Chem 50: 5535-8 (2007) Article DOI: 10.1021/jm070521y BindingDB Entry DOI: 10.7270/Q23R0R5G
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM21358 (2-[1-({6-chloroimidazo[2,1-b][1,3]thiazole-5-}sulf...) Show SMILES NCCc1cn(c2ccccc12)S(=O)(=O)c1c(Cl)nc2sccn12 Show InChI InChI=1S/C15H13ClN4O2S2/c16-13-14(19-7-8-23-15(19)18-13)24(21,22)20-9-10(5-6-17)11-3-1-2-4-12(11)20/h1-4,7-9H,5-6,17H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.30E+4	n/a	n/a	n/a	n/a	7.4	37
Wyeth Research					Assay Description The effect of compound on cytochrome P450 (CYP) enzyme catalytic activity was determined in human liver microsomes, using a cocktail of probe substra...				J Med Chem 50: 5535-8 (2007) Article DOI: 10.1021/jm070521y BindingDB Entry DOI: 10.7270/Q23R0R5G
					More data for this Ligand-Target Pair
Cytochrome P450 2A6 (Homo sapiens (Human))	BDBM21358 (2-[1-({6-chloroimidazo[2,1-b][1,3]thiazole-5-}sulf...) Show SMILES NCCc1cn(c2ccccc12)S(=O)(=O)c1c(Cl)nc2sccn12 Show InChI InChI=1S/C15H13ClN4O2S2/c16-13-14(19-7-8-23-15(19)18-13)24(21,22)20-9-10(5-6-17)11-3-1-2-4-12(11)20/h1-4,7-9H,5-6,17H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.10E+4	n/a	n/a	n/a	n/a	7.4	37
Wyeth Research					Assay Description The effect of compound on cytochrome P450 (CYP) enzyme catalytic activity was determined in human liver microsomes, using a cocktail of probe substra...				J Med Chem 50: 5535-8 (2007) Article DOI: 10.1021/jm070521y BindingDB Entry DOI: 10.7270/Q23R0R5G
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM21358 (2-[1-({6-chloroimidazo[2,1-b][1,3]thiazole-5-}sulf...) Show SMILES NCCc1cn(c2ccccc12)S(=O)(=O)c1c(Cl)nc2sccn12 Show InChI InChI=1S/C15H13ClN4O2S2/c16-13-14(19-7-8-23-15(19)18-13)24(21,22)20-9-10(5-6-17)11-3-1-2-4-12(11)20/h1-4,7-9H,5-6,17H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.12E+5	n/a	n/a	n/a	n/a	7.4	37
Wyeth Research					Assay Description The effect of compound on cytochrome P450 (CYP) enzyme catalytic activity was determined in human liver microsomes, using a cocktail of probe substra...				J Med Chem 50: 5535-8 (2007) Article DOI: 10.1021/jm070521y BindingDB Entry DOI: 10.7270/Q23R0R5G
					More data for this Ligand-Target Pair
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM21358 (2-[1-({6-chloroimidazo[2,1-b][1,3]thiazole-5-}sulf...) Show SMILES NCCc1cn(c2ccccc12)S(=O)(=O)c1c(Cl)nc2sccn12 Show InChI InChI=1S/C15H13ClN4O2S2/c16-13-14(19-7-8-23-15(19)18-13)24(21,22)20-9-10(5-6-17)11-3-1-2-4-12(11)20/h1-4,7-9H,5-6,17H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.49E+5	n/a	n/a	n/a	n/a	7.4	37
Wyeth Research					Assay Description The effect of compound on cytochrome P450 (CYP) enzyme catalytic activity was determined in human liver microsomes, using a cocktail of probe substra...				J Med Chem 50: 5535-8 (2007) Article DOI: 10.1021/jm070521y BindingDB Entry DOI: 10.7270/Q23R0R5G
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM21358 (2-[1-({6-chloroimidazo[2,1-b][1,3]thiazole-5-}sulf...) Show SMILES NCCc1cn(c2ccccc12)S(=O)(=O)c1c(Cl)nc2sccn12 Show InChI InChI=1S/C15H13ClN4O2S2/c16-13-14(19-7-8-23-15(19)18-13)24(21,22)20-9-10(5-6-17)11-3-1-2-4-12(11)20/h1-4,7-9H,5-6,17H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.96E+5	n/a	n/a	n/a	n/a	7.4	37
Wyeth Research					Assay Description The effect of compound on cytochrome P450 (CYP) enzyme catalytic activity was determined in human liver microsomes, using a cocktail of probe substra...				J Med Chem 50: 5535-8 (2007) Article DOI: 10.1021/jm070521y BindingDB Entry DOI: 10.7270/Q23R0R5G
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM21358 (2-[1-({6-chloroimidazo[2,1-b][1,3]thiazole-5-}sulf...) Show SMILES NCCc1cn(c2ccccc12)S(=O)(=O)c1c(Cl)nc2sccn12 Show InChI InChI=1S/C15H13ClN4O2S2/c16-13-14(19-7-8-23-15(19)18-13)24(21,22)20-9-10(5-6-17)11-3-1-2-4-12(11)20/h1-4,7-9H,5-6,17H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>5.00E+5	n/a	n/a	n/a	n/a	7.4	37
Wyeth Research					Assay Description The effect of compound on cytochrome P450 (CYP) enzyme catalytic activity was determined in human liver microsomes, using a cocktail of probe substra...				J Med Chem 50: 5535-8 (2007) Article DOI: 10.1021/jm070521y BindingDB Entry DOI: 10.7270/Q23R0R5G
					More data for this Ligand-Target Pair