Compile Data Set for Download or QSAR

Found 146 hits with Last Name = 'spicer' and Initial = 'tp'   

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
Collagenase 3 (Homo sapiens (Human))	BDBM50265079 ((4-[1-methyl-2,4-dioxo-6-(3-phenyl-prop-1-ynyl)-1,...) Show SMILES Cn1c2ccc(cc2c(=O)n(Cc2ccc(cc2)C(O)=O)c1=O)C#CCc1ccccc1 Show InChI InChI=1S/C26H20N2O4/c1-27-23-15-12-19(9-5-8-18-6-3-2-4-7-18)16-22(23)24(29)28(26(27)32)17-20-10-13-21(14-11-20)25(30)31/h2-4,6-7,10-16H,8,17H2,1H3,(H,30,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Translational Research Institute Curated by ChEMBL					Assay Description Non-competitive inhibition of full-length recombinant human MMP-13 assessed as fTHP-15 substrate hydrolysis				J Med Chem 57: 9598-611 (2014) Article DOI: 10.1021/jm501284e BindingDB Entry DOI: 10.7270/Q2P55Q3G
					More data for this Ligand-Target Pair				3D Structure (crystal)
Collagenase 3 (Homo sapiens (Human))	BDBM16596 (4-N,6-N-bis[(4-fluoro-3-methylphenyl)methyl]pyrimi...) Show SMILES Cc1cc(CNC(=O)c2cc(ncn2)C(=O)NCc2ccc(F)c(C)c2)ccc1F Show InChI InChI=1S/C22H20F2N4O2/c1-13-7-15(3-5-17(13)23)10-25-21(29)19-9-20(28-12-27-19)22(30)26-11-16-4-6-18(24)14(2)8-16/h3-9,12H,10-11H2,1-2H3,(H,25,29)(H,26,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
Translational Research Institute Curated by ChEMBL					Assay Description Inhibition of full-length recombinant human MMP-13 assessed as bovine type-2 collagen hydrolysis after 18 hrs by ELISA				J Med Chem 57: 9598-611 (2014) Article DOI: 10.1021/jm501284e BindingDB Entry DOI: 10.7270/Q2P55Q3G
					More data for this Ligand-Target Pair				3D Structure (crystal)
Collagenase 3 (Homo sapiens (Human))	BDBM16596 (4-N,6-N-bis[(4-fluoro-3-methylphenyl)methyl]pyrimi...) Show SMILES Cc1cc(CNC(=O)c2cc(ncn2)C(=O)NCc2ccc(F)c(C)c2)ccc1F Show InChI InChI=1S/C22H20F2N4O2/c1-13-7-15(3-5-17(13)23)10-25-21(29)19-9-20(28-12-27-19)22(30)26-11-16-4-6-18(24)14(2)8-16/h3-9,12H,10-11H2,1-2H3,(H,25,29)(H,26,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
Translational Research Institute Curated by ChEMBL					Assay Description Non-competitive inhibition of full-length recombinant human MMP-13 assessed as fTHP-15 substrate hydrolysis				J Med Chem 57: 9598-611 (2014) Article DOI: 10.1021/jm501284e BindingDB Entry DOI: 10.7270/Q2P55Q3G
					More data for this Ligand-Target Pair				3D Structure (crystal)
Collagenase 3 (Homo sapiens (Human))	BDBM50361639 (CHEMBL1371684) Show SMILES Cc1ccc(CSc2nc3CCCc3c(=O)[nH]2)cc1 Show InChI InChI=1S/C15H16N2OS/c1-10-5-7-11(8-6-10)9-19-15-16-13-4-2-3-12(13)14(18)17-15/h5-8H,2-4,9H2,1H3,(H,16,17,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
Translational Research Institute Curated by ChEMBL					Assay Description Inhibition of full-length recombinant human MMP-13 assessed as bovine type-2 collagen hydrolysis after 18 hrs by ELISA				J Med Chem 57: 9598-611 (2014) Article DOI: 10.1021/jm501284e BindingDB Entry DOI: 10.7270/Q2P55Q3G
					More data for this Ligand-Target Pair				3D Structure (crystal)
Serine hydrolase RBBP9 (Homo sapiens (Human))	BDBM50314727 (1-(thiazol-2-yl)ethanone O-cyclohexanecarbonyl oxi...) Show SMILES C\C(=N/OC(=O)C1CCCCC1)c1nccs1 Show InChI InChI=1S/C12H16N2O2S/c1-9(11-13-7-8-17-11)14-16-12(15)10-5-3-2-4-6-10/h7-8,10H,2-6H2,1H3/b14-9+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	640	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Displacement of fluorophosphate-rhodamine from RBBP9 transfected in human HEK293T cells proteomes after 30 mins by SDS-PAGE gel fluorescence assay				Bioorg Med Chem Lett 20: 2254-8 (2010) Article DOI: 10.1016/j.bmcl.2010.02.011 BindingDB Entry DOI: 10.7270/Q27D2V92
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50031314 (CHEMBL473326) Show SMILES Oc1nc(SCc2ccc(Cl)cc2)nc2CCCc12 Show InChI InChI=1S/C14H13ClN2OS/c15-10-6-4-9(5-7-10)8-19-14-16-12-3-1-2-11(12)13(18)17-14/h4-7H,1-3,8H2,(H,16,17,18)	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	700	n/a	n/a	n/a	n/a	n/a	n/a
Translational Research Institute Curated by ChEMBL					Assay Description Inhibition of full-length recombinant human MMP-13 assessed as bovine type-2 collagen hydrolysis after 18 hrs by ELISA				J Med Chem 57: 9598-611 (2014) Article DOI: 10.1021/jm501284e BindingDB Entry DOI: 10.7270/Q2P55Q3G
					More data for this Ligand-Target Pair
Platelet-activating factor acetylhydrolase IB subunit alpha2 (Mus musculus (Mouse))	BDBM154536 (2-(4-tert-butylphenyl)-1-(4-methylbenzenesulfonyl)...) Show SMILES Cc1ccc(cc1)C1CC=C(C(N1S(=O)(=O)c1ccc(C)cc1)c1ccc(cc1)C(C)(C)C)C(O)=O |c:10| Show InChI InChI=1S/C30H33NO4S/c1-20-6-10-22(11-7-20)27-19-18-26(29(32)33)28(23-12-14-24(15-13-23)30(3,4)5)31(27)36(34,35)25-16-8-21(2)9-17-25/h6-18,27-28H,19H2,1-5H3,(H,32,33)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	800	n/a	n/a	n/a	n/a	7.5	n/a
University of California, Berkeley					Assay Description For in vitro experiments, proteomes were diluted to 1 mg/mL in PBS (pH 7.5, 50 μL total reaction volume), doped with 1 μM recombinant PAFAH...				ACS Chem Biol 10: 925-32 (2015) Article DOI: 10.1021/cb500893q BindingDB Entry DOI: 10.7270/Q2CJ8C6T
					More data for this Ligand-Target Pair
Platelet-activating factor acetylhydrolase IB subunit alpha2 (Mus musculus (Mouse))	BDBM154531 (2-(4-bromophenyl)-6-(4-chlorophenyl)-1-(4-methylbe...) Show SMILES Cc1ccc(cc1)S(=O)(=O)N1C(CC=C(C1c1ccc(Br)cc1)C(O)=O)c1ccc(Cl)cc1 |c:14| Show InChI InChI=1S/C25H21BrClNO4S/c1-16-2-12-21(13-3-16)33(31,32)28-23(17-6-10-20(27)11-7-17)15-14-22(25(29)30)24(28)18-4-8-19(26)9-5-18/h2-14,23-24H,15H2,1H3,(H,29,30)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	7.5	n/a
University of California, Berkeley					Assay Description For in vitro experiments, proteomes were diluted to 1 mg/mL in PBS (pH 7.5, 50 μL total reaction volume), doped with 1 μM recombinant PAFAH...				ACS Chem Biol 10: 925-32 (2015) Article DOI: 10.1021/cb500893q BindingDB Entry DOI: 10.7270/Q2CJ8C6T
					More data for this Ligand-Target Pair
Platelet-activating factor acetylhydrolase IB subunit alpha2 (Mus musculus (Mouse))	BDBM154529 (2-(4-fluorophenyl)-1-(4-methylbenzenesulfonyl)-6-[...) Show SMILES CC(C)c1ccc(cc1)C1CC=C(C(N1S(=O)(=O)c1ccc(C)cc1)c1ccc(F)cc1)C(O)=O |c:12| Show InChI InChI=1S/C28H28FNO4S/c1-18(2)20-6-8-21(9-7-20)26-17-16-25(28(31)32)27(22-10-12-23(29)13-11-22)30(26)35(33,34)24-14-4-19(3)5-15-24/h4-16,18,26-27H,17H2,1-3H3,(H,31,32)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	7.5	n/a
University of California, Berkeley					Assay Description For in vitro experiments, proteomes were diluted to 1 mg/mL in PBS (pH 7.5, 50 μL total reaction volume), doped with 1 μM recombinant PAFAH...				ACS Chem Biol 10: 925-32 (2015) Article DOI: 10.1021/cb500893q BindingDB Entry DOI: 10.7270/Q2CJ8C6T
					More data for this Ligand-Target Pair
Serine hydrolase RBBP9 (Homo sapiens (Human))	BDBM50314725 (4-(cinnamoyloxyimino)-2,6-dimethylcyclohexa-2,5-di...) Show SMILES [#6]-[#6]-1=[#6]\[#6](-[#6]=[#6](-[#6])-[#6]-1=O)=[#7]/[#8]-[#6](=O)\[#6]=[#6]\c1ccccc1 |t:1,4| Show InChI InChI=1S/C17H15NO3/c1-12-10-15(11-13(2)17(12)20)18-21-16(19)9-8-14-6-4-3-5-7-14/h3-11H,1-2H3/b9-8+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG 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
The Scripps Research Institute Curated by ChEMBL					Assay Description Displacement of fluorophosphate-rhodamine from RBBP9 transfected in human HEK293T cells proteomes after 30 mins by SDS-PAGE gel fluorescence assay				Bioorg Med Chem Lett 20: 2254-8 (2010) Article DOI: 10.1016/j.bmcl.2010.02.011 BindingDB Entry DOI: 10.7270/Q27D2V92
					More data for this Ligand-Target Pair
Platelet-activating factor acetylhydrolase IB subunit alpha2 (Mus musculus (Mouse))	BDBM154534 (2-(4-bromophenyl)-6-(3,4-dichlorophenyl)-1-(4-meth...) Show SMILES Cc1ccc(cc1)S(=O)(=O)N1C(CC=C(C1c1ccc(Br)cc1)C(O)=O)c1ccc(Cl)c(Cl)c1 |c:14| Show InChI InChI=1S/C25H20BrCl2NO4S/c1-15-2-9-19(10-3-15)34(32,33)29-23(17-6-12-21(27)22(28)14-17)13-11-20(25(30)31)24(29)16-4-7-18(26)8-5-16/h2-12,14,23-24H,13H2,1H3,(H,30,31)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a	7.5	n/a
University of California, Berkeley					Assay Description For in vitro experiments, proteomes were diluted to 1 mg/mL in PBS (pH 7.5, 50 μL total reaction volume), doped with 1 μM recombinant PAFAH...				ACS Chem Biol 10: 925-32 (2015) Article DOI: 10.1021/cb500893q BindingDB Entry DOI: 10.7270/Q2CJ8C6T
					More data for this Ligand-Target Pair
Serine hydrolase RBBP9 (Homo sapiens (Human))	BDBM50314728 (4-(4-methoxybenzoyloxyimino)-2,6-dimethylcyclohexa...) Show SMILES [#6]-[#8]-c1ccc(cc1)-[#6](=O)-[#8]\[#7]=[#6]-1/[#6]=[#6](-[#6])-[#6](=O)-[#6](-[#6])=[#6]-1 |c:20,t:14| Show InChI InChI=1S/C16H15NO4/c1-10-8-13(9-11(2)15(10)18)17-21-16(19)12-4-6-14(20-3)7-5-12/h4-9H,1-3H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Displacement of fluorophosphate-rhodamine from recombinant RBBP9 transfected in mouse brain membrane proteomes after 30 mins by SDS-PAGE gel fluoresc...				Bioorg Med Chem Lett 20: 2254-8 (2010) Article DOI: 10.1016/j.bmcl.2010.02.011 BindingDB Entry DOI: 10.7270/Q27D2V92
					More data for this Ligand-Target Pair
Serine hydrolase RBBP9 (Homo sapiens (Human))	BDBM50314728 (4-(4-methoxybenzoyloxyimino)-2,6-dimethylcyclohexa...) Show SMILES [#6]-[#8]-c1ccc(cc1)-[#6](=O)-[#8]\[#7]=[#6]-1/[#6]=[#6](-[#6])-[#6](=O)-[#6](-[#6])=[#6]-1 |c:20,t:14| Show InChI InChI=1S/C16H15NO4/c1-10-8-13(9-11(2)15(10)18)17-21-16(19)12-4-6-14(20-3)7-5-12/h4-9H,1-3H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Displacement of fluorophosphate-rhodamine from RBBP9 transfected in human HEK293T cells proteomes after 30 mins by SDS-PAGE gel fluorescence assay				Bioorg Med Chem Lett 20: 2254-8 (2010) Article DOI: 10.1016/j.bmcl.2010.02.011 BindingDB Entry DOI: 10.7270/Q27D2V92
					More data for this Ligand-Target Pair
Platelet-activating factor acetylhydrolase IB subunit alpha2 (Mus musculus (Mouse))	BDBM154540 (2-(4-(tert-butyl)phenyl)-N-(2-methoxyethyl)-6-(p-t...) Show SMILES COCCNC(=O)C1=CCC(N(C1c1ccc(cc1)C(C)(C)C)S(=O)(=O)c1ccc(C)cc1)c1ccc(C)cc1 |t:7| Show InChI InChI=1S/C33H40N2O4S/c1-23-7-11-25(12-8-23)30-20-19-29(32(36)34-21-22-39-6)31(26-13-15-27(16-14-26)33(3,4)5)35(30)40(37,38)28-17-9-24(2)10-18-28/h7-19,30-31H,20-22H2,1-6H3,(H,34,36)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a	7.5	n/a
University of California, Berkeley					Assay Description For in vitro experiments, proteomes were diluted to 1 mg/mL in PBS (pH 7.5, 50 μL total reaction volume), doped with 1 μM recombinant PAFAH...				ACS Chem Biol 10: 925-32 (2015) Article DOI: 10.1021/cb500893q BindingDB Entry DOI: 10.7270/Q2CJ8C6T
					More data for this Ligand-Target Pair
Serine hydrolase RBBP9 (Homo sapiens (Human))	BDBM50314729 (1-(thiazol-2-yl)ethanone O-4-chlorobenzoyl oxime |...) Show SMILES C\C(=N/OC(=O)c1ccc(Cl)cc1)c1nccs1 Show InChI InChI=1S/C12H9ClN2O2S/c1-8(11-14-6-7-18-11)15-17-12(16)9-2-4-10(13)5-3-9/h2-7H,1H3/b15-8+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Displacement of fluorophosphate-rhodamine from RBBP9 transfected in human HEK293T cells proteomes after 30 mins by SDS-PAGE gel fluorescence assay				Bioorg Med Chem Lett 20: 2254-8 (2010) Article DOI: 10.1016/j.bmcl.2010.02.011 BindingDB Entry DOI: 10.7270/Q27D2V92
					More data for this Ligand-Target Pair
Platelet-activating factor acetylhydrolase IB subunit alpha2 (Mus musculus (Mouse))	BDBM154535 (2-(4-fluorophenyl)-1-(4-methylbenzenesulfonyl)-6-(...) Show SMILES Cc1ccc(cc1)C1CC=C(C(N1S(=O)(=O)c1ccc(C)cc1)c1ccc(F)cc1)C(O)=O |c:10| Show InChI InChI=1S/C26H24FNO4S/c1-17-3-7-19(8-4-17)24-16-15-23(26(29)30)25(20-9-11-21(27)12-10-20)28(24)33(31,32)22-13-5-18(2)6-14-22/h3-15,24-25H,16H2,1-2H3,(H,29,30)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	7.5	n/a
University of California, Berkeley					Assay Description For in vitro experiments, proteomes were diluted to 1 mg/mL in PBS (pH 7.5, 50 μL total reaction volume), doped with 1 μM recombinant PAFAH...				ACS Chem Biol 10: 925-32 (2015) Article DOI: 10.1021/cb500893q BindingDB Entry DOI: 10.7270/Q2CJ8C6T
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50361640 (CHEMBL1515648) Show SMILES COC(=O)c1ccc(CSc2nc3CCCc3c(=O)[nH]2)cc1 Show InChI InChI=1S/C16H16N2O3S/c1-21-15(20)11-7-5-10(6-8-11)9-22-16-17-13-4-2-3-12(13)14(19)18-16/h5-8H,2-4,9H2,1H3,(H,17,18,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Translational Research Institute Curated by ChEMBL					Assay Description Inhibition of full-length recombinant human MMP-13 assessed as bovine type-2 collagen hydrolysis after 18 hrs by ELISA				J Med Chem 57: 9598-611 (2014) Article DOI: 10.1021/jm501284e BindingDB Entry DOI: 10.7270/Q2P55Q3G
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50361639 (CHEMBL1371684) Show SMILES Cc1ccc(CSc2nc3CCCc3c(=O)[nH]2)cc1 Show InChI InChI=1S/C15H16N2OS/c1-10-5-7-11(8-6-10)9-19-15-16-13-4-2-3-12(13)14(18)17-15/h5-8H,2-4,9H2,1H3,(H,16,17,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	2.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Translational Research Institute Curated by ChEMBL					Assay Description Non-competitive inhibition of full-length recombinant human MMP-13 assessed as fTHP-15 substrate hydrolysis				J Med Chem 57: 9598-611 (2014) Article DOI: 10.1021/jm501284e BindingDB Entry DOI: 10.7270/Q2P55Q3G
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50265079 ((4-[1-methyl-2,4-dioxo-6-(3-phenyl-prop-1-ynyl)-1,...) Show SMILES Cn1c2ccc(cc2c(=O)n(Cc2ccc(cc2)C(O)=O)c1=O)C#CCc1ccccc1 Show InChI InChI=1S/C26H20N2O4/c1-27-23-15-12-19(9-5-8-18-6-3-2-4-7-18)16-22(23)24(29)28(26(27)32)17-20-10-13-21(14-11-20)25(30)31/h2-4,6-7,10-16H,8,17H2,1H3,(H,30,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Translational Research Institute Curated by ChEMBL					Assay Description Inhibition of CYP2C19 (unknown origin) using (S)-mephentoin substrate				J Med Chem 57: 9598-611 (2014) Article DOI: 10.1021/jm501284e BindingDB Entry DOI: 10.7270/Q2P55Q3G
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50265079 ((4-[1-methyl-2,4-dioxo-6-(3-phenyl-prop-1-ynyl)-1,...) Show SMILES Cn1c2ccc(cc2c(=O)n(Cc2ccc(cc2)C(O)=O)c1=O)C#CCc1ccccc1 Show InChI InChI=1S/C26H20N2O4/c1-27-23-15-12-19(9-5-8-18-6-3-2-4-7-18)16-22(23)24(29)28(26(27)32)17-20-10-13-21(14-11-20)25(30)31/h2-4,6-7,10-16H,8,17H2,1H3,(H,30,31)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Translational Research Institute Curated by ChEMBL					Assay Description Inhibition of CYP2D6 (unknown origin) using dextromethophan substrate				J Med Chem 57: 9598-611 (2014) Article DOI: 10.1021/jm501284e BindingDB Entry DOI: 10.7270/Q2P55Q3G
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50265079 ((4-[1-methyl-2,4-dioxo-6-(3-phenyl-prop-1-ynyl)-1,...) Show SMILES Cn1c2ccc(cc2c(=O)n(Cc2ccc(cc2)C(O)=O)c1=O)C#CCc1ccccc1 Show InChI InChI=1S/C26H20N2O4/c1-27-23-15-12-19(9-5-8-18-6-3-2-4-7-18)16-22(23)24(29)28(26(27)32)17-20-10-13-21(14-11-20)25(30)31/h2-4,6-7,10-16H,8,17H2,1H3,(H,30,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Translational Research Institute Curated by ChEMBL					Assay Description Inhibition of CYP2C9 (unknown origin) using diclofenac substrate				J Med Chem 57: 9598-611 (2014) Article DOI: 10.1021/jm501284e BindingDB Entry DOI: 10.7270/Q2P55Q3G
					More data for this Ligand-Target Pair
Cytochrome P450 2C8 (Homo sapiens (Human))	BDBM50265079 ((4-[1-methyl-2,4-dioxo-6-(3-phenyl-prop-1-ynyl)-1,...) Show SMILES Cn1c2ccc(cc2c(=O)n(Cc2ccc(cc2)C(O)=O)c1=O)C#CCc1ccccc1 Show InChI InChI=1S/C26H20N2O4/c1-27-23-15-12-19(9-5-8-18-6-3-2-4-7-18)16-22(23)24(29)28(26(27)32)17-20-10-13-21(14-11-20)25(30)31/h2-4,6-7,10-16H,8,17H2,1H3,(H,30,31)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Translational Research Institute Curated by ChEMBL					Assay Description Inhibition of CYP2C8 (unknown origin) using amodiaquine substrate				J Med Chem 57: 9598-611 (2014) Article DOI: 10.1021/jm501284e BindingDB Entry DOI: 10.7270/Q2P55Q3G
					More data for this Ligand-Target Pair
Cytochrome P450 2B6 (Homo sapiens (Human))	BDBM50265079 ((4-[1-methyl-2,4-dioxo-6-(3-phenyl-prop-1-ynyl)-1,...) Show SMILES Cn1c2ccc(cc2c(=O)n(Cc2ccc(cc2)C(O)=O)c1=O)C#CCc1ccccc1 Show InChI InChI=1S/C26H20N2O4/c1-27-23-15-12-19(9-5-8-18-6-3-2-4-7-18)16-22(23)24(29)28(26(27)32)17-20-10-13-21(14-11-20)25(30)31/h2-4,6-7,10-16H,8,17H2,1H3,(H,30,31)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Translational Research Institute Curated by ChEMBL					Assay Description Inhibition of CYP2B6 (unknown origin) using bupropion substrate				J Med Chem 57: 9598-611 (2014) Article DOI: 10.1021/jm501284e BindingDB Entry DOI: 10.7270/Q2P55Q3G
					More data for this Ligand-Target Pair
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM50265079 ((4-[1-methyl-2,4-dioxo-6-(3-phenyl-prop-1-ynyl)-1,...) Show SMILES Cn1c2ccc(cc2c(=O)n(Cc2ccc(cc2)C(O)=O)c1=O)C#CCc1ccccc1 Show InChI InChI=1S/C26H20N2O4/c1-27-23-15-12-19(9-5-8-18-6-3-2-4-7-18)16-22(23)24(29)28(26(27)32)17-20-10-13-21(14-11-20)25(30)31/h2-4,6-7,10-16H,8,17H2,1H3,(H,30,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Translational Research Institute Curated by ChEMBL					Assay Description Inhibition of CYP1A2 (unknown origin) using tacrin substrate				J Med Chem 57: 9598-611 (2014) Article DOI: 10.1021/jm501284e BindingDB Entry DOI: 10.7270/Q2P55Q3G
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50265079 ((4-[1-methyl-2,4-dioxo-6-(3-phenyl-prop-1-ynyl)-1,...) Show SMILES Cn1c2ccc(cc2c(=O)n(Cc2ccc(cc2)C(O)=O)c1=O)C#CCc1ccccc1 Show InChI InChI=1S/C26H20N2O4/c1-27-23-15-12-19(9-5-8-18-6-3-2-4-7-18)16-22(23)24(29)28(26(27)32)17-20-10-13-21(14-11-20)25(30)31/h2-4,6-7,10-16H,8,17H2,1H3,(H,30,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Translational Research Institute Curated by ChEMBL					Assay Description Inhibition of CYP3A4 (unknown origin) using midazolam substrate				J Med Chem 57: 9598-611 (2014) Article DOI: 10.1021/jm501284e BindingDB Entry DOI: 10.7270/Q2P55Q3G
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50265079 ((4-[1-methyl-2,4-dioxo-6-(3-phenyl-prop-1-ynyl)-1,...) Show SMILES Cn1c2ccc(cc2c(=O)n(Cc2ccc(cc2)C(O)=O)c1=O)C#CCc1ccccc1 Show InChI InChI=1S/C26H20N2O4/c1-27-23-15-12-19(9-5-8-18-6-3-2-4-7-18)16-22(23)24(29)28(26(27)32)17-20-10-13-21(14-11-20)25(30)31/h2-4,6-7,10-16H,8,17H2,1H3,(H,30,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Translational Research Institute Curated by ChEMBL					Assay Description Inhibition of CYP3A4 (unknown origin) using testosterone substrate				J Med Chem 57: 9598-611 (2014) Article DOI: 10.1021/jm501284e BindingDB Entry DOI: 10.7270/Q2P55Q3G
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50361640 (CHEMBL1515648) Show SMILES COC(=O)c1ccc(CSc2nc3CCCc3c(=O)[nH]2)cc1 Show InChI InChI=1S/C16H16N2O3S/c1-21-15(20)11-7-5-10(6-8-11)9-22-16-17-13-4-2-3-12(13)14(19)18-16/h5-8H,2-4,9H2,1H3,(H,17,18,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Translational Research Institute Curated by ChEMBL					Assay Description Non-competitive inhibition of full-length recombinant human MMP-13 assessed as fTHP-15 substrate hydrolysis				J Med Chem 57: 9598-611 (2014) Article DOI: 10.1021/jm501284e BindingDB Entry DOI: 10.7270/Q2P55Q3G
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50031314 (CHEMBL473326) Show SMILES Oc1nc(SCc2ccc(Cl)cc2)nc2CCCc12 Show InChI InChI=1S/C14H13ClN2OS/c15-10-6-4-9(5-7-10)8-19-14-16-12-3-1-2-11(12)13(18)17-14/h4-7H,1-3,8H2,(H,16,17,18)	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	3.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Translational Research Institute Curated by ChEMBL					Assay Description Non-competitive inhibition of full-length recombinant human MMP-13 assessed as fTHP-15 substrate hydrolysis				J Med Chem 57: 9598-611 (2014) Article DOI: 10.1021/jm501284e BindingDB Entry DOI: 10.7270/Q2P55Q3G
					More data for this Ligand-Target Pair
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM50361639 (CHEMBL1371684) Show SMILES Cc1ccc(CSc2nc3CCCc3c(=O)[nH]2)cc1 Show InChI InChI=1S/C15H16N2OS/c1-10-5-7-11(8-6-10)9-19-15-16-13-4-2-3-12(13)14(18)17-15/h5-8H,2-4,9H2,1H3,(H,16,17,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	3.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Translational Research Institute Curated by ChEMBL					Assay Description Inhibition of CYP1A2 (unknown origin) using tacrin substrate				J Med Chem 57: 9598-611 (2014) Article DOI: 10.1021/jm501284e BindingDB Entry DOI: 10.7270/Q2P55Q3G
					More data for this Ligand-Target Pair
Platelet-activating factor acetylhydrolase IB subunit alpha2 (Mus musculus (Mouse))	BDBM154530 (1-(4-methylbenzenesulfonyl)-2-(4-methylphenyl)-6-[...) Show SMILES CC(C)c1ccc(cc1)C1CC=C(C(N1S(=O)(=O)c1ccc(C)cc1)c1ccc(C)cc1)C(O)=O |c:12| Show InChI InChI=1S/C29H31NO4S/c1-19(2)22-11-13-23(14-12-22)27-18-17-26(29(31)32)28(24-9-5-20(3)6-10-24)30(27)35(33,34)25-15-7-21(4)8-16-25/h5-17,19,27-28H,18H2,1-4H3,(H,31,32)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.50E+3	n/a	n/a	n/a	n/a	7.5	n/a
University of California, Berkeley					Assay Description For in vitro experiments, proteomes were diluted to 1 mg/mL in PBS (pH 7.5, 50 μL total reaction volume), doped with 1 μM recombinant PAFAH...				ACS Chem Biol 10: 925-32 (2015) Article DOI: 10.1021/cb500893q BindingDB Entry DOI: 10.7270/Q2CJ8C6T
					More data for this Ligand-Target Pair
Platelet-activating factor acetylhydrolase IB subunit alpha2 (Mus musculus (Mouse))	BDBM154542 (5-(bromomethyl)-6-(4-(tert-butyl)phenyl)-2-(p-toly...) Show SMILES Cc1ccc(cc1)C1CC=C(CBr)C(N1S(=O)(=O)c1ccc(C)cc1)c1ccc(cc1)C(C)(C)C |t:10| Show InChI InChI=1S/C30H34BrNO2S/c1-21-6-10-23(11-7-21)28-19-14-25(20-31)29(24-12-15-26(16-13-24)30(3,4)5)32(28)35(33,34)27-17-8-22(2)9-18-27/h6-18,28-29H,19-20H2,1-5H3	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.60E+3	n/a	n/a	n/a	n/a	7.5	n/a
University of California, Berkeley					Assay Description For in vitro experiments, proteomes were diluted to 1 mg/mL in PBS (pH 7.5, 50 μL total reaction volume), doped with 1 μM recombinant PAFAH...				ACS Chem Biol 10: 925-32 (2015) Article DOI: 10.1021/cb500893q BindingDB Entry DOI: 10.7270/Q2CJ8C6T
					More data for this Ligand-Target Pair
Serine hydrolase RBBP9 (Homo sapiens (Human))	BDBM50314726 (1-(thiazol-2-yl)ethanone O-4-fluorobenzoyl oxime |...) Show SMILES C\C(=N/OC(=O)c1ccc(F)cc1)c1nccs1 Show InChI InChI=1S/C12H9FN2O2S/c1-8(11-14-6-7-18-11)15-17-12(16)9-2-4-10(13)5-3-9/h2-7H,1H3/b15-8+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Displacement of fluorophosphate-rhodamine from RBBP9 transfected in human HEK293T cells proteomes after 30 mins by SDS-PAGE gel fluorescence assay				Bioorg Med Chem Lett 20: 2254-8 (2010) Article DOI: 10.1016/j.bmcl.2010.02.011 BindingDB Entry DOI: 10.7270/Q27D2V92
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50031314 (CHEMBL473326) Show SMILES Oc1nc(SCc2ccc(Cl)cc2)nc2CCCc12 Show InChI InChI=1S/C14H13ClN2OS/c15-10-6-4-9(5-7-10)8-19-14-16-12-3-1-2-11(12)13(18)17-14/h4-7H,1-3,8H2,(H,16,17,18)	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	6.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Translational Research Institute Curated by ChEMBL					Assay Description Inhibition of CYP2C19 (unknown origin) using (S)-mephentoin substrate				J Med Chem 57: 9598-611 (2014) Article DOI: 10.1021/jm501284e BindingDB Entry DOI: 10.7270/Q2P55Q3G
					More data for this Ligand-Target Pair
Platelet-activating factor acetylhydrolase IB subunit alpha2 (Mus musculus (Mouse))	BDBM154541 (N-allyl-2-(4-(tert-butyl)phenyl)-6-(p-tolyl)-1-tos...) Show SMILES Cc1ccc(cc1)C1CC=C(C(N1S(=O)(=O)c1ccc(C)cc1)c1ccc(cc1)C(C)(C)C)C(=O)NCC=C |c:10| Show InChI InChI=1S/C33H38N2O3S/c1-7-22-34-32(36)29-20-21-30(25-12-8-23(2)9-13-25)35(39(37,38)28-18-10-24(3)11-19-28)31(29)26-14-16-27(17-15-26)33(4,5)6/h7-20,30-31H,1,21-22H2,2-6H3,(H,34,36)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.50E+3	n/a	n/a	n/a	n/a	7.5	n/a
University of California, Berkeley					Assay Description For in vitro experiments, proteomes were diluted to 1 mg/mL in PBS (pH 7.5, 50 μL total reaction volume), doped with 1 μM recombinant PAFAH...				ACS Chem Biol 10: 925-32 (2015) Article DOI: 10.1021/cb500893q BindingDB Entry DOI: 10.7270/Q2CJ8C6T
					More data for this Ligand-Target Pair
Platelet-activating factor acetylhydrolase IB subunit alpha2 (Mus musculus (Mouse))	BDBM154543 (N-((2-(4-(tert-butyl)phenyl)-6-(p-tolyl)-1-tosyl-1...) Show SMILES Cc1ccc(cc1)C1CC=C(CNC2CC2)C(N1S(=O)(=O)c1ccc(C)cc1)c1ccc(cc1)C(C)(C)C |t:10| Show InChI InChI=1S/C33H40N2O2S/c1-23-6-10-25(11-7-23)31-21-14-27(22-34-29-17-18-29)32(26-12-15-28(16-13-26)33(3,4)5)35(31)38(36,37)30-19-8-24(2)9-20-30/h6-16,19-20,29,31-32,34H,17-18,21-22H2,1-5H3	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.60E+3	n/a	n/a	n/a	n/a	7.5	n/a
University of California, Berkeley					Assay Description For in vitro experiments, proteomes were diluted to 1 mg/mL in PBS (pH 7.5, 50 μL total reaction volume), doped with 1 μM recombinant PAFAH...				ACS Chem Biol 10: 925-32 (2015) Article DOI: 10.1021/cb500893q BindingDB Entry DOI: 10.7270/Q2CJ8C6T
					More data for this Ligand-Target Pair
Serine hydrolase RBBP9 (Homo sapiens (Human))	BDBM50216297 (6',7',10,11-tetramethoxyemetan | CHEMBL50588 | Eme...) Show SMILES CC[C@H]1CN2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1C[C@H]1NCCc2cc(OC)c(OC)cc12 |r| Show InChI InChI=1S/C29H40N2O4/c1-6-18-17-31-10-8-20-14-27(33-3)29(35-5)16-23(20)25(31)12-21(18)11-24-22-15-28(34-4)26(32-2)13-19(22)7-9-30-24/h13-16,18,21,24-25,30H,6-12,17H2,1-5H3/t18-,21-,24+,25-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	7.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Displacement of fluorophosphate-rhodamine from RBBP9 transfected in human HEK293T cells proteomes after 30 mins by SDS-PAGE gel fluorescence assay				Bioorg Med Chem Lett 20: 2254-8 (2010) Article DOI: 10.1016/j.bmcl.2010.02.011 BindingDB Entry DOI: 10.7270/Q27D2V92
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50361639 (CHEMBL1371684) Show SMILES Cc1ccc(CSc2nc3CCCc3c(=O)[nH]2)cc1 Show InChI InChI=1S/C15H16N2OS/c1-10-5-7-11(8-6-10)9-19-15-16-13-4-2-3-12(13)14(18)17-15/h5-8H,2-4,9H2,1H3,(H,16,17,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	7.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Translational Research Institute Curated by ChEMBL					Assay Description Inhibition of CYP2C19 (unknown origin) using (S)-mephentoin substrate				J Med Chem 57: 9598-611 (2014) Article DOI: 10.1021/jm501284e BindingDB Entry DOI: 10.7270/Q2P55Q3G
					More data for this Ligand-Target Pair
Platelet-activating factor acetylhydrolase IB subunit alpha2 (Mus musculus (Mouse))	BDBM154533 (2-(3-chlorophenyl)-1-(4-methylbenzenesulfonyl)-6-(...) Show SMILES Cc1ccc(cc1)C1CC=C(C(N1S(=O)(=O)c1ccc(C)cc1)c1cccc(Cl)c1)C(O)=O |c:10| Show InChI InChI=1S/C26H24ClNO4S/c1-17-6-10-19(11-7-17)24-15-14-23(26(29)30)25(20-4-3-5-21(27)16-20)28(24)33(31,32)22-12-8-18(2)9-13-22/h3-14,16,24-25H,15H2,1-2H3,(H,29,30)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.20E+3	n/a	n/a	n/a	n/a	7.5	n/a
University of California, Berkeley					Assay Description For in vitro experiments, proteomes were diluted to 1 mg/mL in PBS (pH 7.5, 50 μL total reaction volume), doped with 1 μM recombinant PAFAH...				ACS Chem Biol 10: 925-32 (2015) Article DOI: 10.1021/cb500893q BindingDB Entry DOI: 10.7270/Q2CJ8C6T
					More data for this Ligand-Target Pair
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM50031314 (CHEMBL473326) Show SMILES Oc1nc(SCc2ccc(Cl)cc2)nc2CCCc12 Show InChI InChI=1S/C14H13ClN2OS/c15-10-6-4-9(5-7-10)8-19-14-16-12-3-1-2-11(12)13(18)17-14/h4-7H,1-3,8H2,(H,16,17,18)	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	8.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Translational Research Institute Curated by ChEMBL					Assay Description Inhibition of CYP1A2 (unknown origin) using tacrin substrate				J Med Chem 57: 9598-611 (2014) Article DOI: 10.1021/jm501284e BindingDB Entry DOI: 10.7270/Q2P55Q3G
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50361639 (CHEMBL1371684) Show SMILES Cc1ccc(CSc2nc3CCCc3c(=O)[nH]2)cc1 Show InChI InChI=1S/C15H16N2OS/c1-10-5-7-11(8-6-10)9-19-15-16-13-4-2-3-12(13)14(18)17-15/h5-8H,2-4,9H2,1H3,(H,16,17,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	8.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Translational Research Institute Curated by ChEMBL					Assay Description Inhibition of CYP2C9 (unknown origin) using diclofenac substrate				J Med Chem 57: 9598-611 (2014) Article DOI: 10.1021/jm501284e BindingDB Entry DOI: 10.7270/Q2P55Q3G
					More data for this Ligand-Target Pair
Serine hydrolase RBBP9 (Homo sapiens (Human))	BDBM50314724 (1-(thiazol-2-yl)ethanone O-4-methoxybenzoyl oxime ...) Show SMILES COc1ccc(cc1)C(=O)O\N=C(/C)c1nccs1 Show InChI InChI=1S/C13H12N2O3S/c1-9(12-14-7-8-19-12)15-18-13(16)10-3-5-11(17-2)6-4-10/h3-8H,1-2H3/b15-9+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Displacement of fluorophosphate-rhodamine from RBBP9 transfected in human HEK293T cells proteomes after 30 mins by SDS-PAGE gel fluorescence assay				Bioorg Med Chem Lett 20: 2254-8 (2010) Article DOI: 10.1016/j.bmcl.2010.02.011 BindingDB Entry DOI: 10.7270/Q27D2V92
					More data for this Ligand-Target Pair
Platelet-activating factor acetylhydrolase IB subunit alpha2 (Mus musculus (Mouse))	BDBM154538 (2-(4-(tert-butyl)phenyl)-N-cyclopropyl-6-(p-tolyl)...) Show SMILES Cc1ccc(cc1)C1CC=C(C(N1S(=O)(=O)c1ccc(C)cc1)c1ccc(cc1)C(C)(C)C)C(=O)NC1CC1 |c:10| Show InChI InChI=1S/C33H38N2O3S/c1-22-6-10-24(11-7-22)30-21-20-29(32(36)34-27-16-17-27)31(25-12-14-26(15-13-25)33(3,4)5)35(30)39(37,38)28-18-8-23(2)9-19-28/h6-15,18-20,27,30-31H,16-17,21H2,1-5H3,(H,34,36)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.30E+3	n/a	n/a	n/a	n/a	7.5	n/a
University of California, Berkeley					Assay Description For in vitro experiments, proteomes were diluted to 1 mg/mL in PBS (pH 7.5, 50 μL total reaction volume), doped with 1 μM recombinant PAFAH...				ACS Chem Biol 10: 925-32 (2015) Article DOI: 10.1021/cb500893q BindingDB Entry DOI: 10.7270/Q2CJ8C6T
					More data for this Ligand-Target Pair
Platelet-activating factor acetylhydrolase IB subunit alpha2 (Mus musculus (Mouse))	BDBM154532 (2-(3-chlorophenyl)-6-(4-ethylphenyl)-1-(4-methylbe...) Show SMILES CCc1ccc(cc1)C1CC=C(C(N1S(=O)(=O)c1ccc(C)cc1)c1cccc(Cl)c1)C(O)=O |c:11| Show InChI InChI=1S/C27H26ClNO4S/c1-3-19-9-11-20(12-10-19)25-16-15-24(27(30)31)26(21-5-4-6-22(28)17-21)29(25)34(32,33)23-13-7-18(2)8-14-23/h4-15,17,25-26H,3,16H2,1-2H3,(H,30,31)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.40E+3	n/a	n/a	n/a	n/a	7.5	n/a
University of California, Berkeley					Assay Description For in vitro experiments, proteomes were diluted to 1 mg/mL in PBS (pH 7.5, 50 μL total reaction volume), doped with 1 μM recombinant PAFAH...				ACS Chem Biol 10: 925-32 (2015) Article DOI: 10.1021/cb500893q BindingDB Entry DOI: 10.7270/Q2CJ8C6T
					More data for this Ligand-Target Pair
Platelet-activating factor acetylhydrolase IB subunit alpha2 (Mus musculus (Mouse))	BDBM154537 (2-(4-(tert-butyl)phenyl)-N-methyl-6-(p-tolyl)-1-to...) Show SMILES CNC(=O)C1=CCC(N(C1c1ccc(cc1)C(C)(C)C)S(=O)(=O)c1ccc(C)cc1)c1ccc(C)cc1 |t:4| Show InChI InChI=1S/C31H36N2O3S/c1-21-7-11-23(12-8-21)28-20-19-27(30(34)32-6)29(24-13-15-25(16-14-24)31(3,4)5)33(28)37(35,36)26-17-9-22(2)10-18-26/h7-19,28-29H,20H2,1-6H3,(H,32,34)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	7.5	n/a
University of California, Berkeley					Assay Description For in vitro experiments, proteomes were diluted to 1 mg/mL in PBS (pH 7.5, 50 μL total reaction volume), doped with 1 μM recombinant PAFAH...				ACS Chem Biol 10: 925-32 (2015) Article DOI: 10.1021/cb500893q BindingDB Entry DOI: 10.7270/Q2CJ8C6T
					More data for this Ligand-Target Pair
Platelet-activating factor acetylhydrolase IB subunit alpha2 (Mus musculus (Mouse))	BDBM154544 (Methyl-2-(4-(tert-butyl)phenyl)-6-(p-tolyl)-1-tosy...) Show SMILES COC(=O)C1=CCC(N(C1c1ccc(cc1)C(C)(C)C)S(=O)(=O)c1ccc(C)cc1)c1ccc(C)cc1 |t:4| Show InChI InChI=1S/C31H35NO4S/c1-21-7-11-23(12-8-21)28-20-19-27(30(33)36-6)29(24-13-15-25(16-14-24)31(3,4)5)32(28)37(34,35)26-17-9-22(2)10-18-26/h7-19,28-29H,20H2,1-6H3	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	7.5	n/a
University of California, Berkeley					Assay Description For in vitro experiments, proteomes were diluted to 1 mg/mL in PBS (pH 7.5, 50 μL total reaction volume), doped with 1 μM recombinant PAFAH...				ACS Chem Biol 10: 925-32 (2015) Article DOI: 10.1021/cb500893q BindingDB Entry DOI: 10.7270/Q2CJ8C6T
					More data for this Ligand-Target Pair
Platelet-activating factor acetylhydrolase IB subunit alpha2 (Mus musculus (Mouse))	BDBM154539 (2-(4-(tert-butyl)phenyl)-N-cyclohexyl-6-(p-tolyl)-...) Show SMILES Cc1ccc(cc1)C1CC=C(C(N1S(=O)(=O)c1ccc(C)cc1)c1ccc(cc1)C(C)(C)C)C(=O)NC1CCCCC1 |c:10| Show InChI InChI=1S/C36H44N2O3S/c1-25-11-15-27(16-12-25)33-24-23-32(35(39)37-30-9-7-6-8-10-30)34(28-17-19-29(20-18-28)36(3,4)5)38(33)42(40,41)31-21-13-26(2)14-22-31/h11-23,30,33-34H,6-10,24H2,1-5H3,(H,37,39)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	7.5	n/a
University of California, Berkeley					Assay Description For in vitro experiments, proteomes were diluted to 1 mg/mL in PBS (pH 7.5, 50 μL total reaction volume), doped with 1 μM recombinant PAFAH...				ACS Chem Biol 10: 925-32 (2015) Article DOI: 10.1021/cb500893q BindingDB Entry DOI: 10.7270/Q2CJ8C6T
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50031314 (CHEMBL473326) Show SMILES Oc1nc(SCc2ccc(Cl)cc2)nc2CCCc12 Show InChI InChI=1S/C14H13ClN2OS/c15-10-6-4-9(5-7-10)8-19-14-16-12-3-1-2-11(12)13(18)17-14/h4-7H,1-3,8H2,(H,16,17,18)	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	1.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
Translational Research Institute Curated by ChEMBL					Assay Description Inhibition of CYP2C9 (unknown origin) using diclofenac substrate				J Med Chem 57: 9598-611 (2014) Article DOI: 10.1021/jm501284e BindingDB Entry DOI: 10.7270/Q2P55Q3G
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50031314 (CHEMBL473326) Show SMILES Oc1nc(SCc2ccc(Cl)cc2)nc2CCCc12 Show InChI InChI=1S/C14H13ClN2OS/c15-10-6-4-9(5-7-10)8-19-14-16-12-3-1-2-11(12)13(18)17-14/h4-7H,1-3,8H2,(H,16,17,18)	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	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Translational Research Institute Curated by ChEMBL					Assay Description Inhibition of CYP3A4 (unknown origin) using testosterone substrate				J Med Chem 57: 9598-611 (2014) Article DOI: 10.1021/jm501284e BindingDB Entry DOI: 10.7270/Q2P55Q3G
					More data for this Ligand-Target Pair
Cytochrome P450 2C8 (Homo sapiens (Human))	BDBM50031314 (CHEMBL473326) Show SMILES Oc1nc(SCc2ccc(Cl)cc2)nc2CCCc12 Show InChI InChI=1S/C14H13ClN2OS/c15-10-6-4-9(5-7-10)8-19-14-16-12-3-1-2-11(12)13(18)17-14/h4-7H,1-3,8H2,(H,16,17,18)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Translational Research Institute Curated by ChEMBL					Assay Description Inhibition of CYP2C8 (unknown origin) using amodiaquine substrate				J Med Chem 57: 9598-611 (2014) Article DOI: 10.1021/jm501284e BindingDB Entry DOI: 10.7270/Q2P55Q3G
					More data for this Ligand-Target Pair
Cytochrome P450 2B6 (Homo sapiens (Human))	BDBM50031314 (CHEMBL473326) Show SMILES Oc1nc(SCc2ccc(Cl)cc2)nc2CCCc12 Show InChI InChI=1S/C14H13ClN2OS/c15-10-6-4-9(5-7-10)8-19-14-16-12-3-1-2-11(12)13(18)17-14/h4-7H,1-3,8H2,(H,16,17,18)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Translational Research Institute Curated by ChEMBL					Assay Description Inhibition of CYP2B6 (unknown origin) using bupropion substrate				J Med Chem 57: 9598-611 (2014) Article DOI: 10.1021/jm501284e BindingDB Entry DOI: 10.7270/Q2P55Q3G
					More data for this Ligand-Target Pair

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