Compile Data Set for Download or QSAR

Found 36 hits with Last Name = 'taylor' and Initial = 'jm'   

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
Tyrosine-protein phosphatase non-receptor type 2 [V121L] (Homo sapiens (Human))	BDBM13814 (({4-[(4E)-2-(1H-1,2,3-benzotriazol-1-yl)-2-[4-(met...) Show SMILES COC(=O)c1ccc(cc1)C(C\C=C\c1ccccc1)(Cc1ccc(cc1)C(F)(F)P(O)(O)=O)n1nnc2ccccc12 Show InChI InChI=1S/C32H28F2N3O5P/c1-42-30(38)25-15-19-26(20-16-25)31(21-7-10-23-8-3-2-4-9-23,37-29-12-6-5-11-28(29)35-36-37)22-24-13-17-27(18-14-24)32(33,34)43(39,40)41/h2-20H,21-22H2,1H3,(H2,39,40,41)/b10-7+	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	6.3	22
Merck Frosst Center for Therapeutic Research					Assay Description Hydrolysis of substrate FDP was monitored continuously on a Cytofluor microplate reader with excitation and emission wavelengths set at 440 and 515 ...				J Biol Chem 281: 8010-5 (2006) Article DOI: 10.1074/jbc.M511827200 BindingDB Entry DOI: 10.7270/Q2C53J3V
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 [V113L,M114V] (Homo sapiens (Human))	BDBM13814 (({4-[(4E)-2-(1H-1,2,3-benzotriazol-1-yl)-2-[4-(met...) Show SMILES COC(=O)c1ccc(cc1)C(C\C=C\c1ccccc1)(Cc1ccc(cc1)C(F)(F)P(O)(O)=O)n1nnc2ccccc12 Show InChI InChI=1S/C32H28F2N3O5P/c1-42-30(38)25-15-19-26(20-16-25)31(21-7-10-23-8-3-2-4-9-23,37-29-12-6-5-11-28(29)35-36-37)22-24-13-17-27(18-14-24)32(33,34)43(39,40)41/h2-20H,21-22H2,1H3,(H2,39,40,41)/b10-7+	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	29	n/a	n/a	n/a	n/a	6.3	22
Merck Frosst Center for Therapeutic Research					Assay Description Hydrolysis of substrate FDP was monitored continuously on a Cytofluor microplate reader with excitation and emission wavelengths set at 440 and 515 ...				J Biol Chem 281: 8010-5 (2006) Article DOI: 10.1074/jbc.M511827200 BindingDB Entry DOI: 10.7270/Q2C53J3V
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein phosphatase non-receptor type 1 [G117E] (Homo sapiens (Human))	BDBM13814 (({4-[(4E)-2-(1H-1,2,3-benzotriazol-1-yl)-2-[4-(met...) Show SMILES COC(=O)c1ccc(cc1)C(C\C=C\c1ccccc1)(Cc1ccc(cc1)C(F)(F)P(O)(O)=O)n1nnc2ccccc12 Show InChI InChI=1S/C32H28F2N3O5P/c1-42-30(38)25-15-19-26(20-16-25)31(21-7-10-23-8-3-2-4-9-23,37-29-12-6-5-11-28(29)35-36-37)22-24-13-17-27(18-14-24)32(33,34)43(39,40)41/h2-20H,21-22H2,1H3,(H2,39,40,41)/b10-7+	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	6.3	22
Merck Frosst Center for Therapeutic Research					Assay Description Hydrolysis of substrate FDP was monitored continuously on a Cytofluor microplate reader with excitation and emission wavelengths set at 440 and 515 ...				J Biol Chem 281: 8010-5 (2006) Article DOI: 10.1074/jbc.M511827200 BindingDB Entry DOI: 10.7270/Q2C53J3V
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein phosphatase non-receptor type 1 [1-298] (Homo sapiens (Human))	BDBM13814 (({4-[(4E)-2-(1H-1,2,3-benzotriazol-1-yl)-2-[4-(met...) Show SMILES COC(=O)c1ccc(cc1)C(C\C=C\c1ccccc1)(Cc1ccc(cc1)C(F)(F)P(O)(O)=O)n1nnc2ccccc12 Show InChI InChI=1S/C32H28F2N3O5P/c1-42-30(38)25-15-19-26(20-16-25)31(21-7-10-23-8-3-2-4-9-23,37-29-12-6-5-11-28(29)35-36-37)22-24-13-17-27(18-14-24)32(33,34)43(39,40)41/h2-20H,21-22H2,1H3,(H2,39,40,41)/b10-7+	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	39	n/a	n/a	n/a	n/a	6.3	22
Merck Frosst Center for Therapeutic Research					Assay Description Hydrolysis of substrate FDP was monitored continuously on a Cytofluor microplate reader with excitation and emission wavelengths set at 440 and 515 ...				J Biol Chem 281: 8010-5 (2006) Article DOI: 10.1074/jbc.M511827200 BindingDB Entry DOI: 10.7270/Q2C53J3V
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein phosphatase non-receptor type 1 [V113I] (Homo sapiens (Human))	BDBM13814 (({4-[(4E)-2-(1H-1,2,3-benzotriazol-1-yl)-2-[4-(met...) Show SMILES COC(=O)c1ccc(cc1)C(C\C=C\c1ccccc1)(Cc1ccc(cc1)C(F)(F)P(O)(O)=O)n1nnc2ccccc12 Show InChI InChI=1S/C32H28F2N3O5P/c1-42-30(38)25-15-19-26(20-16-25)31(21-7-10-23-8-3-2-4-9-23,37-29-12-6-5-11-28(29)35-36-37)22-24-13-17-27(18-14-24)32(33,34)43(39,40)41/h2-20H,21-22H2,1H3,(H2,39,40,41)/b10-7+	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	39	n/a	n/a	n/a	n/a	6.3	22
Merck Frosst Center for Therapeutic Research					Assay Description Hydrolysis of substrate FDP was monitored continuously on a Cytofluor microplate reader with excitation and emission wavelengths set at 440 and 515 ...				J Biol Chem 281: 8010-5 (2006) Article DOI: 10.1074/jbc.M511827200 BindingDB Entry DOI: 10.7270/Q2C53J3V
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein phosphatase non-receptor type 1 [M114V] (Homo sapiens (Human))	BDBM13814 (({4-[(4E)-2-(1H-1,2,3-benzotriazol-1-yl)-2-[4-(met...) Show SMILES COC(=O)c1ccc(cc1)C(C\C=C\c1ccccc1)(Cc1ccc(cc1)C(F)(F)P(O)(O)=O)n1nnc2ccccc12 Show InChI InChI=1S/C32H28F2N3O5P/c1-42-30(38)25-15-19-26(20-16-25)31(21-7-10-23-8-3-2-4-9-23,37-29-12-6-5-11-28(29)35-36-37)22-24-13-17-27(18-14-24)32(33,34)43(39,40)41/h2-20H,21-22H2,1H3,(H2,39,40,41)/b10-7+	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	45	n/a	n/a	n/a	n/a	6.3	22
Merck Frosst Center for Therapeutic Research					Assay Description Hydrolysis of substrate FDP was monitored continuously on a Cytofluor microplate reader with excitation and emission wavelengths set at 440 and 515 ...				J Biol Chem 281: 8010-5 (2006) Article DOI: 10.1074/jbc.M511827200 BindingDB Entry DOI: 10.7270/Q2C53J3V
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein phosphatase non-receptor type 2 (Homo sapiens (Human))	BDBM13814 (({4-[(4E)-2-(1H-1,2,3-benzotriazol-1-yl)-2-[4-(met...) Show SMILES COC(=O)c1ccc(cc1)C(C\C=C\c1ccccc1)(Cc1ccc(cc1)C(F)(F)P(O)(O)=O)n1nnc2ccccc12 Show InChI InChI=1S/C32H28F2N3O5P/c1-42-30(38)25-15-19-26(20-16-25)31(21-7-10-23-8-3-2-4-9-23,37-29-12-6-5-11-28(29)35-36-37)22-24-13-17-27(18-14-24)32(33,34)43(39,40)41/h2-20H,21-22H2,1H3,(H2,39,40,41)/b10-7+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	87	n/a	n/a	n/a	n/a	6.3	22
Merck Frosst Center for Therapeutic Research					Assay Description Hydrolysis of substrate FDP was monitored continuously on a Cytofluor microplate reader with excitation and emission wavelengths set at 440 and 515 ...				J Biol Chem 281: 8010-5 (2006) Article DOI: 10.1074/jbc.M511827200 BindingDB Entry DOI: 10.7270/Q2C53J3V
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 2 (Homo sapiens (Human))	BDBM13815 (({4-[(4E)-2-(1H-1,2,3-benzotriazol-1-yl)-2,5-diphe...) Show SMILES OP(O)(=O)C(F)(F)c1ccc(CC(C\C=C\c2ccccc2)(c2ccccc2)n2nnc3ccccc23)cc1 Show InChI InChI=1S/C30H26F2N3O3P/c31-30(32,39(36,37)38)26-19-17-24(18-20-26)22-29(25-13-5-2-6-14-25,21-9-12-23-10-3-1-4-11-23)35-28-16-8-7-15-27(28)33-34-35/h1-20H,21-22H2,(H2,36,37,38)/b12-9+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	95	n/a	n/a	n/a	n/a	6.3	22
Merck Frosst Center for Therapeutic Research					Assay Description Hydrolysis of substrate FDP was monitored continuously on a Cytofluor microplate reader with excitation and emission wavelengths set at 440 and 515 ...				J Biol Chem 281: 8010-5 (2006) Article DOI: 10.1074/jbc.M511827200 BindingDB Entry DOI: 10.7270/Q2C53J3V
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 [1-298] (Homo sapiens (Human))	BDBM13815 (({4-[(4E)-2-(1H-1,2,3-benzotriazol-1-yl)-2,5-diphe...) Show SMILES OP(O)(=O)C(F)(F)c1ccc(CC(C\C=C\c2ccccc2)(c2ccccc2)n2nnc3ccccc23)cc1 Show InChI InChI=1S/C30H26F2N3O3P/c31-30(32,39(36,37)38)26-19-17-24(18-20-26)22-29(25-13-5-2-6-14-25,21-9-12-23-10-3-1-4-11-23)35-28-16-8-7-15-27(28)33-34-35/h1-20H,21-22H2,(H2,36,37,38)/b12-9+	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	109	n/a	n/a	n/a	n/a	6.3	22
Merck Frosst Center for Therapeutic Research					Assay Description Hydrolysis of substrate FDP was monitored continuously on a Cytofluor microplate reader with excitation and emission wavelengths set at 440 and 515 ...				J Biol Chem 281: 8010-5 (2006) Article DOI: 10.1074/jbc.M511827200 BindingDB Entry DOI: 10.7270/Q2C53J3V
					More data for this Ligand-Target Pair				3D Structure (docked)
Tyrosine-protein phosphatase non-receptor type 2 [V121L] (Homo sapiens (Human))	BDBM13816 ([difluoro({4-[3-(4-fluorophenyl)-2-[4-(3-methyl-1,...) Show SMILES Cc1noc(n1)-c1ccc(cc1)C(C\C=C\c1ccccc1)(Cc1ccc(cc1)C(F)(F)P(O)(O)=O)C(=O)c1ccc(F)cc1 Show InChI InChI=1S/C34H28F3N2O5P/c1-23-38-32(44-39-23)27-11-17-28(18-12-27)33(21-5-8-24-6-3-2-4-7-24,31(40)26-13-19-30(35)20-14-26)22-25-9-15-29(16-10-25)34(36,37)45(41,42)43/h2-20H,21-22H2,1H3,(H2,41,42,43)/b8-5+	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	138	n/a	n/a	n/a	n/a	6.3	22
Merck Frosst Center for Therapeutic Research					Assay Description Hydrolysis of substrate FDP was monitored continuously on a Cytofluor microplate reader with excitation and emission wavelengths set at 440 and 515 ...				J Biol Chem 281: 8010-5 (2006) Article DOI: 10.1074/jbc.M511827200 BindingDB Entry DOI: 10.7270/Q2C53J3V
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 [L119V] (Homo sapiens (Human))	BDBM13814 (({4-[(4E)-2-(1H-1,2,3-benzotriazol-1-yl)-2-[4-(met...) Show SMILES COC(=O)c1ccc(cc1)C(C\C=C\c1ccccc1)(Cc1ccc(cc1)C(F)(F)P(O)(O)=O)n1nnc2ccccc12 Show InChI InChI=1S/C32H28F2N3O5P/c1-42-30(38)25-15-19-26(20-16-25)31(21-7-10-23-8-3-2-4-9-23,37-29-12-6-5-11-28(29)35-36-37)22-24-13-17-27(18-14-24)32(33,34)43(39,40)41/h2-20H,21-22H2,1H3,(H2,39,40,41)/b10-7+	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	142	n/a	n/a	n/a	n/a	6.3	22
Merck Frosst Center for Therapeutic Research					Assay Description Hydrolysis of substrate FDP was monitored continuously on a Cytofluor microplate reader with excitation and emission wavelengths set at 440 and 515 ...				J Biol Chem 281: 8010-5 (2006) Article DOI: 10.1074/jbc.M511827200 BindingDB Entry DOI: 10.7270/Q2C53J3V
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein phosphatase non-receptor type 1 [1-298] (Homo sapiens (Human))	BDBM13816 ([difluoro({4-[3-(4-fluorophenyl)-2-[4-(3-methyl-1,...) Show SMILES Cc1noc(n1)-c1ccc(cc1)C(C\C=C\c1ccccc1)(Cc1ccc(cc1)C(F)(F)P(O)(O)=O)C(=O)c1ccc(F)cc1 Show InChI InChI=1S/C34H28F3N2O5P/c1-23-38-32(44-39-23)27-11-17-28(18-12-27)33(21-5-8-24-6-3-2-4-7-24,31(40)26-13-19-30(35)20-14-26)22-25-9-15-29(16-10-25)34(36,37)45(41,42)43/h2-20H,21-22H2,1H3,(H2,41,42,43)/b8-5+	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	163	n/a	n/a	n/a	n/a	6.3	22
Merck Frosst Center for Therapeutic Research					Assay Description Hydrolysis of substrate FDP was monitored continuously on a Cytofluor microplate reader with excitation and emission wavelengths set at 440 and 515 ...				J Biol Chem 281: 8010-5 (2006) Article DOI: 10.1074/jbc.M511827200 BindingDB Entry DOI: 10.7270/Q2C53J3V
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 2 (Homo sapiens (Human))	BDBM13816 ([difluoro({4-[3-(4-fluorophenyl)-2-[4-(3-methyl-1,...) Show SMILES Cc1noc(n1)-c1ccc(cc1)C(C\C=C\c1ccccc1)(Cc1ccc(cc1)C(F)(F)P(O)(O)=O)C(=O)c1ccc(F)cc1 Show InChI InChI=1S/C34H28F3N2O5P/c1-23-38-32(44-39-23)27-11-17-28(18-12-27)33(21-5-8-24-6-3-2-4-7-24,31(40)26-13-19-30(35)20-14-26)22-25-9-15-29(16-10-25)34(36,37)45(41,42)43/h2-20H,21-22H2,1H3,(H2,41,42,43)/b8-5+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a	6.3	22
Merck Frosst Center for Therapeutic Research					Assay Description Hydrolysis of substrate FDP was monitored continuously on a Cytofluor microplate reader with excitation and emission wavelengths set at 440 and 515 ...				J Biol Chem 281: 8010-5 (2006) Article DOI: 10.1074/jbc.M511827200 BindingDB Entry DOI: 10.7270/Q2C53J3V
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 [L119V] (Homo sapiens (Human))	BDBM13816 ([difluoro({4-[3-(4-fluorophenyl)-2-[4-(3-methyl-1,...) Show SMILES Cc1noc(n1)-c1ccc(cc1)C(C\C=C\c1ccccc1)(Cc1ccc(cc1)C(F)(F)P(O)(O)=O)C(=O)c1ccc(F)cc1 Show InChI InChI=1S/C34H28F3N2O5P/c1-23-38-32(44-39-23)27-11-17-28(18-12-27)33(21-5-8-24-6-3-2-4-7-24,31(40)26-13-19-30(35)20-14-26)22-25-9-15-29(16-10-25)34(36,37)45(41,42)43/h2-20H,21-22H2,1H3,(H2,41,42,43)/b8-5+	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.90E+3	n/a	n/a	n/a	n/a	6.3	22
Merck Frosst Center for Therapeutic Research					Assay Description Hydrolysis of substrate FDP was monitored continuously on a Cytofluor microplate reader with excitation and emission wavelengths set at 440 and 515 ...				J Biol Chem 281: 8010-5 (2006) Article DOI: 10.1074/jbc.M511827200 BindingDB Entry DOI: 10.7270/Q2C53J3V
					More data for this Ligand-Target Pair
Solute carrier family 22 member 8 (Homo sapiens (Human))	BDBM50566497 (2,2-DIMETHYLBUTYRATE | 2,2-Dimethyl-Butyric Acid |...) Show SMILES CCC(C)(C)C(O)=O Show InChI	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.51E+6	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human OAT3 assessed as reduction in OAT3-mediated tenofovir transport				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00124 BindingDB Entry DOI: 10.7270/Q2V128KD
					More data for this Ligand-Target Pair
Solute carrier family 22 member 6 (Homo sapiens (Human))	BDBM50566497 (2,2-DIMETHYLBUTYRATE | 2,2-Dimethyl-Butyric Acid |...) Show SMILES CCC(C)(C)C(O)=O Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.86E+6	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human OAT1 assessed as reduction in OAT1-mediated tenofovir transport				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00124 BindingDB Entry DOI: 10.7270/Q2V128KD
					More data for this Ligand-Target Pair
Cytochrome P450 2C8 (Homo sapiens (Human))	BDBM50566497 (2,2-DIMETHYLBUTYRATE | 2,2-Dimethyl-Butyric Acid |...) Show SMILES CCC(C)(C)C(O)=O Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+7	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Direct inhibition of CYP2C8 in human liver microsomes using amodiaquine as substrate				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00124 BindingDB Entry DOI: 10.7270/Q2V128KD
					More data for this Ligand-Target Pair
Cytochrome P450 2B6 (Homo sapiens (Human))	BDBM50566497 (2,2-DIMETHYLBUTYRATE | 2,2-Dimethyl-Butyric Acid |...) Show SMILES CCC(C)(C)C(O)=O Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+7	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Direct inhibition of CYP2B6 in human liver microsomes using bupropion as substrate				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00124 BindingDB Entry DOI: 10.7270/Q2V128KD
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50566497 (2,2-DIMETHYLBUTYRATE | 2,2-Dimethyl-Butyric Acid |...) Show SMILES CCC(C)(C)C(O)=O Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+7	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Direct inhibition of CYP2C19 in human liver microsomes using S-mephenytoin as substrate				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00124 BindingDB Entry DOI: 10.7270/Q2V128KD
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50566497 (2,2-DIMETHYLBUTYRATE | 2,2-Dimethyl-Butyric Acid |...) Show SMILES CCC(C)(C)C(O)=O Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+7	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Direct inhibition of CYP2D6 in human liver microsomes using bufuralol as substrate				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00124 BindingDB Entry DOI: 10.7270/Q2V128KD
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50566497 (2,2-DIMETHYLBUTYRATE | 2,2-Dimethyl-Butyric Acid |...) Show SMILES CCC(C)(C)C(O)=O Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+7	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Direct inhibition of CYP3A4 in human liver microsomes using midazolam as substrate				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00124 BindingDB Entry DOI: 10.7270/Q2V128KD
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50566497 (2,2-DIMETHYLBUTYRATE | 2,2-Dimethyl-Butyric Acid |...) Show SMILES CCC(C)(C)C(O)=O Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+7	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Direct inhibition of CYP3A5 in human liver microsomes using midazolam as substrate				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00124 BindingDB Entry DOI: 10.7270/Q2V128KD
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50566497 (2,2-DIMETHYLBUTYRATE | 2,2-Dimethyl-Butyric Acid |...) Show SMILES CCC(C)(C)C(O)=O Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+7	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Direct inhibition of CYP3A4 in human liver microsomes using testosterone as substrate				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00124 BindingDB Entry DOI: 10.7270/Q2V128KD
					More data for this Ligand-Target Pair
Cytochrome P450 3A5 (Homo sapiens (Human))	BDBM50566497 (2,2-DIMETHYLBUTYRATE | 2,2-Dimethyl-Butyric Acid |...) Show SMILES CCC(C)(C)C(O)=O Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+7	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Direct inhibition of CYP3A5 in human liver microsomes using testosterone as substrate				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00124 BindingDB Entry DOI: 10.7270/Q2V128KD
					More data for this Ligand-Target Pair
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM50566497 (2,2-DIMETHYLBUTYRATE | 2,2-Dimethyl-Butyric Acid |...) Show SMILES CCC(C)(C)C(O)=O Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+7	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Time-dependent inhibition of CYP1A2 in human liver microsomes using Phenacetin as substrate preincubated for 30 mins				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00124 BindingDB Entry DOI: 10.7270/Q2V128KD
					More data for this Ligand-Target Pair
Cytochrome P450 2B6 (Homo sapiens (Human))	BDBM50566497 (2,2-DIMETHYLBUTYRATE | 2,2-Dimethyl-Butyric Acid |...) Show SMILES CCC(C)(C)C(O)=O Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+7	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Time-dependent inhibition of CYP2B6 in human liver microsomes using bupropion as substrate preincubated for 30 mins				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00124 BindingDB Entry DOI: 10.7270/Q2V128KD
					More data for this Ligand-Target Pair
Cytochrome P450 2C8 (Homo sapiens (Human))	BDBM50566497 (2,2-DIMETHYLBUTYRATE | 2,2-Dimethyl-Butyric Acid |...) Show SMILES CCC(C)(C)C(O)=O Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+7	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Time-dependent inhibition of CYP2C8 in human liver microsomes using amodiaquine as substrate preincubated for 30 mins				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00124 BindingDB Entry DOI: 10.7270/Q2V128KD
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50566497 (2,2-DIMETHYLBUTYRATE | 2,2-Dimethyl-Butyric Acid |...) Show SMILES CCC(C)(C)C(O)=O Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+7	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Time-dependent inhibition of CYP2C9 in human liver microsomes using diclofenac as substrate preincubated for 30 mins				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00124 BindingDB Entry DOI: 10.7270/Q2V128KD
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50566497 (2,2-DIMETHYLBUTYRATE | 2,2-Dimethyl-Butyric Acid |...) Show SMILES CCC(C)(C)C(O)=O Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+7	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Time-dependent inhibition of CYP2C19 in human liver microsomes using S-mephenytoin as substrate preincubated for 30 mins				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00124 BindingDB Entry DOI: 10.7270/Q2V128KD
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50566497 (2,2-DIMETHYLBUTYRATE | 2,2-Dimethyl-Butyric Acid |...) Show SMILES CCC(C)(C)C(O)=O Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+7	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Time-dependent inhibition of CYP2D6 in human liver microsomes using bufuralol as substrate preincubated for 30 mins				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00124 BindingDB Entry DOI: 10.7270/Q2V128KD
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50566497 (2,2-DIMETHYLBUTYRATE | 2,2-Dimethyl-Butyric Acid |...) Show SMILES CCC(C)(C)C(O)=O Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+7	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Time-dependent inhibition of CYP3A4 in human liver microsomes using midazolam as substrate preincubated for 30 mins				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00124 BindingDB Entry DOI: 10.7270/Q2V128KD
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50566497 (2,2-DIMETHYLBUTYRATE | 2,2-Dimethyl-Butyric Acid |...) Show SMILES CCC(C)(C)C(O)=O Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+7	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Time-dependent inhibition of CYP3A5 in human liver microsomes using midazolam as substrate preincubated for 30 mins				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00124 BindingDB Entry DOI: 10.7270/Q2V128KD
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50566497 (2,2-DIMETHYLBUTYRATE | 2,2-Dimethyl-Butyric Acid |...) Show SMILES CCC(C)(C)C(O)=O Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+7	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Time-dependent inhibition of CYP3A4 in human liver microsomes using testosterone as substrate preincubated for 30 mins				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00124 BindingDB Entry DOI: 10.7270/Q2V128KD
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50566497 (2,2-DIMETHYLBUTYRATE | 2,2-Dimethyl-Butyric Acid |...) Show SMILES CCC(C)(C)C(O)=O Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+7	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Time-dependent inhibition of CYP3A5 in human liver microsomes using testosterone as substrate preincubated for 30 mins				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00124 BindingDB Entry DOI: 10.7270/Q2V128KD
					More data for this Ligand-Target Pair
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM50566497 (2,2-DIMETHYLBUTYRATE | 2,2-Dimethyl-Butyric Acid |...) Show SMILES CCC(C)(C)C(O)=O Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+7	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Direct inhibition of CYP1A2 in human liver microsomes using Phenacetin as substrate				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00124 BindingDB Entry DOI: 10.7270/Q2V128KD
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50566497 (2,2-DIMETHYLBUTYRATE | 2,2-Dimethyl-Butyric Acid |...) Show SMILES CCC(C)(C)C(O)=O Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+7	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Direct inhibition of CYP2C9 in human liver microsomes using diclofenac as substrate				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00124 BindingDB Entry DOI: 10.7270/Q2V128KD
					More data for this Ligand-Target Pair