Compile Data Set for Download or QSAR

Found 204 hits with Last Name = 'joshi' and Initial = 'k'   

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
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM143355 (US9682953, 20.A-1) Show SMILES CCOC(=O)Cn1nc2C(=O)N(C(c2c1C(C)C)c1ccc(Cl)cc1C)c1cc(Cl)ccc1C Show InChI InChI=1S/C25H22F3N3O2/c26-25(27,28)20-8-11-23(30-16-20)33-22-5-1-3-18(14-22)13-17-6-9-21(10-7-17)31-24(32)19-4-2-12-29-15-19/h1-5,8,11-16,21H,6-7,9-10H2,(H,31,32)/b17-13-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
Advinus Therapeutics Limited Curated by ChEMBL					Assay Description Inhibition of CYP3A4 in human liver microsomes using testosterone as substrate preincubated for 5 mins followed by NADPH cofactor addition and measur...				Bioorg Med Chem Lett 29: 238-243 (2019) Article DOI: 10.1016/j.bmcl.2018.11.048 BindingDB Entry DOI: 10.7270/Q2125X14
					More data for this Ligand-Target Pair
Fatty-acid amide hydrolase 1 (Homo sapiens (Human))	BDBM143373 (US9682953, 20.A-10 | US9682953, 20.A-9) Show SMILES Nc1ncc(cn1)C(=O)NC1CCC(CC1)=Cc1cccc(Oc2ccc(cn2)C(F)(F)F)c1 |(11.34,2.69,;10,1.93,;10,.38,;8.67,-.38,;7.34,.38,;7.34,1.93,;8.67,2.69,;6,-.38,;6,-1.93,;4.67,.38,;3.33,-.38,;3.33,-1.93,;2,-2.69,;.67,-1.93,;.67,-.38,;2,.38,;-.67,-2.69,;-2,-1.93,;-2,-.38,;-3.33,.38,;-4.67,-.38,;-4.67,-1.93,;-6,-2.69,;-7.34,-1.93,;-7.34,-.38,;-8.67,.38,;-10,-.38,;-10,-1.93,;-8.67,-2.69,;-11.34,.38,;-12.67,-.39,;-11.34,1.93,;-11.34,-1.16,;-3.33,-2.69,)| Show InChI InChI=1S/C24H22F3N5O2/c25-24(26,27)18-6-9-21(29-14-18)34-20-3-1-2-16(11-20)10-15-4-7-19(8-5-15)32-22(33)17-12-30-23(28)31-13-17/h1-3,6,9-14,19H,4-5,7-8H2,(H,32,33)(H2,28,30,31)/b15-10-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
Advinus Therapeutics Limited Curated by ChEMBL					Assay Description Inhibition of human transmembrane domain deficient FFAH expressed in Escherichia coli using AAMCA as substrate incubated for 1 min measured for 50 mi...				Bioorg Med Chem Lett 29: 238-243 (2019) Article DOI: 10.1016/j.bmcl.2018.11.048 BindingDB Entry DOI: 10.7270/Q2125X14
					More data for this Ligand-Target Pair
Fatty-acid amide hydrolase 1 (Homo sapiens (Human))	BDBM143355 (US9682953, 20.A-1) Show SMILES CCOC(=O)Cn1nc2C(=O)N(C(c2c1C(C)C)c1ccc(Cl)cc1C)c1cc(Cl)ccc1C Show InChI InChI=1S/C25H22F3N3O2/c26-25(27,28)20-8-11-23(30-16-20)33-22-5-1-3-18(14-22)13-17-6-9-21(10-7-17)31-24(32)19-4-2-12-29-15-19/h1-5,8,11-16,21H,6-7,9-10H2,(H,31,32)/b17-13-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
Advinus Therapeutics Limited Curated by ChEMBL					Assay Description Inhibition of human transmembrane domain deficient FFAH expressed in Escherichia coli using AAMCA as substrate incubated for 1 min measured for 50 mi...				Bioorg Med Chem Lett 29: 238-243 (2019) Article DOI: 10.1016/j.bmcl.2018.11.048 BindingDB Entry DOI: 10.7270/Q2125X14
					More data for this Ligand-Target Pair
Fatty-acid amide hydrolase 1 (Homo sapiens (Human))	BDBM143359 (US9682953, 20.A-3) Show SMILES Nc1ccc(cn1)C(=O)NC1CCC(CC1)=Cc1cccc(Oc2ccc(cn2)C(F)(F)F)c1 |(12.65,-1.17,;11.31,-1.94,;11.31,-3.48,;9.98,-4.25,;8.65,-3.48,;8.65,-1.94,;9.98,-1.17,;7.31,-4.25,;7.31,-5.79,;5.98,-3.48,;4.65,-4.25,;4.65,-5.79,;3.31,-6.56,;1.98,-5.79,;1.98,-4.25,;3.31,-3.48,;.65,-6.56,;-.69,-5.79,;-.69,-4.25,;-2.02,-3.48,;-3.36,-4.25,;-3.36,-5.79,;-4.69,-6.56,;-6.02,-5.79,;-6.02,-4.25,;-7.36,-3.48,;-8.69,-4.25,;-8.69,-5.79,;-7.36,-6.56,;-10.02,-3.48,;-11.36,-4.25,;-10.02,-1.94,;-10.02,-5.02,;-2.02,-6.56,)| Show InChI InChI=1S/C25H23F3N4O2/c26-25(27,28)19-7-11-23(31-15-19)34-21-3-1-2-17(13-21)12-16-4-8-20(9-5-16)32-24(33)18-6-10-22(29)30-14-18/h1-3,6-7,10-15,20H,4-5,8-9H2,(H2,29,30)(H,32,33)/b16-12-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
Advinus Therapeutics Limited Curated by ChEMBL					Assay Description Inhibition of human transmembrane domain deficient FFAH expressed in Escherichia coli using AAMCA as substrate incubated for 1 min measured for 50 mi...				Bioorg Med Chem Lett 29: 238-243 (2019) Article DOI: 10.1016/j.bmcl.2018.11.048 BindingDB Entry DOI: 10.7270/Q2125X14
					More data for this Ligand-Target Pair
Fatty-acid amide hydrolase 1 (Homo sapiens (Human))	BDBM143362 (US9682953, 20.A-5) Show SMILES Cc1cc(cnc1N)C(=O)NC1CCC(CC1)=Cc1cccc(Oc2ccc(cn2)C(F)(F)F)c1 |(11.34,-.39,;10,.38,;8.67,-.38,;7.34,.38,;7.34,1.93,;8.67,2.69,;10,1.93,;11.34,2.69,;6,-.38,;6,-1.93,;4.67,.38,;3.33,-.38,;3.33,-1.93,;2,-2.69,;.67,-1.93,;.67,-.38,;2,.38,;-.67,-2.69,;-2,-1.93,;-2,-.38,;-3.33,.38,;-4.67,-.38,;-4.67,-1.93,;-6,-2.69,;-7.34,-1.93,;-7.34,-.38,;-8.67,.38,;-10,-.38,;-10,-1.93,;-8.67,-2.69,;-11.34,.38,;-12.67,-.39,;-11.34,1.93,;-11.34,-1.16,;-3.33,-2.69,)| Show InChI InChI=1S/C26H25F3N4O2/c1-16-11-19(14-32-24(16)30)25(34)33-21-8-5-17(6-9-21)12-18-3-2-4-22(13-18)35-23-10-7-20(15-31-23)26(27,28)29/h2-4,7,10-15,21H,5-6,8-9H2,1H3,(H2,30,32)(H,33,34)/b17-12-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
Advinus Therapeutics Limited Curated by ChEMBL					Assay Description Inhibition of human transmembrane domain deficient FFAH expressed in Escherichia coli using AAMCA as substrate incubated for 1 min measured for 50 mi...				Bioorg Med Chem Lett 29: 238-243 (2019) Article DOI: 10.1016/j.bmcl.2018.11.048 BindingDB Entry DOI: 10.7270/Q2125X14
					More data for this Ligand-Target Pair
Fatty-acid amide hydrolase 1 (Homo sapiens (Human))	BDBM50335377 (CHEMBL1651534 | N-Pyridazin-3-yl-4-(3-{[5-(trifluo...) Show SMILES FC(F)(F)c1ccc(-[#8]-c2cccc(\[#6]=[#6]-3\[#6]-[#6]-[#7](-[#6]-[#6]-3)-[#6](=O)-[#7]-c3cccnn3)c2)nc1 Show InChI InChI=1S/C23H20F3N5O2/c24-23(25,26)18-6-7-21(27-15-18)33-19-4-1-3-17(14-19)13-16-8-11-31(12-9-16)22(32)29-20-5-2-10-28-30-20/h1-7,10,13-15H,8-9,11-12H2,(H,29,30,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a	n/a
Advinus Therapeutics Limited Curated by ChEMBL					Assay Description Inhibition of human transmembrane domain deficient FFAH expressed in Escherichia coli using AAMCA as substrate incubated for 1 min measured for 50 mi...				Bioorg Med Chem Lett 29: 238-243 (2019) Article DOI: 10.1016/j.bmcl.2018.11.048 BindingDB Entry DOI: 10.7270/Q2125X14
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Homo sapiens (Human))	BDBM50056351 (CHEMBL3326569) Show SMILES CC1(C)C[C@@H](NC(=O)Nc2cccc3cnccc23)c2cc(F)ccc2O1 |r| Show InChI InChI=1S/C21H20FN3O2/c1-21(2)11-18(16-10-14(22)6-7-19(16)27-21)25-20(26)24-17-5-3-4-13-12-23-9-8-15(13)17/h3-10,12,18H,11H2,1-2H3,(H2,24,25,26)/t18-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc. Curated by ChEMBL					Assay Description Antagonist activity against human TRPV1 expressed in HEK293 cells assessed as capsaicin-induced calcium flux by FLIPR assay				J Med Chem 57: 7412-24 (2014) Article DOI: 10.1021/jm500916t BindingDB Entry DOI: 10.7270/Q2Z3219J
					More data for this Ligand-Target Pair
Fatty-acid amide hydrolase 1 (Homo sapiens (Human))	BDBM143373 (US9682953, 20.A-10 | US9682953, 20.A-9) Show SMILES Nc1ncc(cn1)C(=O)NC1CCC(CC1)=Cc1cccc(Oc2ccc(cn2)C(F)(F)F)c1 |(11.34,2.69,;10,1.93,;10,.38,;8.67,-.38,;7.34,.38,;7.34,1.93,;8.67,2.69,;6,-.38,;6,-1.93,;4.67,.38,;3.33,-.38,;3.33,-1.93,;2,-2.69,;.67,-1.93,;.67,-.38,;2,.38,;-.67,-2.69,;-2,-1.93,;-2,-.38,;-3.33,.38,;-4.67,-.38,;-4.67,-1.93,;-6,-2.69,;-7.34,-1.93,;-7.34,-.38,;-8.67,.38,;-10,-.38,;-10,-1.93,;-8.67,-2.69,;-11.34,.38,;-12.67,-.39,;-11.34,1.93,;-11.34,-1.16,;-3.33,-2.69,)| Show InChI InChI=1S/C24H22F3N5O2/c25-24(26,27)18-6-9-21(29-14-18)34-20-3-1-2-16(11-20)10-15-4-7-19(8-5-15)32-22(33)17-12-30-23(28)31-13-17/h1-3,6,9-14,19H,4-5,7-8H2,(H,32,33)(H2,28,30,31)/b15-10-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Advinus Therapeutics Limited Curated by ChEMBL					Assay Description Inhibition of human transmembrane domain deficient FFAH expressed in Escherichia coli using AAMCA as substrate incubated for 1 min measured for 50 mi...				Bioorg Med Chem Lett 29: 238-243 (2019) Article DOI: 10.1016/j.bmcl.2018.11.048 BindingDB Entry DOI: 10.7270/Q2125X14
					More data for this Ligand-Target Pair
Fatty-acid amide hydrolase 1 (Homo sapiens (Human))	BDBM143355 (US9682953, 20.A-1) Show SMILES CCOC(=O)Cn1nc2C(=O)N(C(c2c1C(C)C)c1ccc(Cl)cc1C)c1cc(Cl)ccc1C Show InChI InChI=1S/C25H22F3N3O2/c26-25(27,28)20-8-11-23(30-16-20)33-22-5-1-3-18(14-22)13-17-6-9-21(10-7-17)31-24(32)19-4-2-12-29-15-19/h1-5,8,11-16,21H,6-7,9-10H2,(H,31,32)/b17-13-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.20	n/a	n/a	n/a	n/a	n/a	n/a
Advinus Therapeutics Limited Curated by ChEMBL					Assay Description Inhibition of human transmembrane domain deficient FFAH expressed in Escherichia coli using AAMCA as substrate incubated for 1 min measured for 50 mi...				Bioorg Med Chem Lett 29: 238-243 (2019) Article DOI: 10.1016/j.bmcl.2018.11.048 BindingDB Entry DOI: 10.7270/Q2125X14
					More data for this Ligand-Target Pair
Fatty-acid amide hydrolase 1 (Homo sapiens (Human))	BDBM143388 (US9682953, 20.A-13) Show SMILES FC(F)(F)c1ccc(Oc2cccc(C=C3CCC(CC3)NC(=O)c3cnc4[nH]ccc4c3)c2)nc1 |(-12.67,-.39,;-11.34,.38,;-11.34,1.93,;-11.34,-1.16,;-10,-.38,;-8.67,.38,;-7.34,-.38,;-7.34,-1.93,;-6,-2.69,;-4.67,-1.93,;-4.67,-.38,;-3.33,.38,;-2,-.38,;-2,-1.93,;-.67,-2.69,;.67,-1.93,;2,-2.69,;3.33,-1.93,;3.33,-.38,;2,.38,;.67,-.38,;4.67,.38,;6,-.38,;6,-1.93,;7.34,.38,;8.67,-.38,;10,.38,;10,1.93,;11.15,2.96,;10.52,4.36,;8.99,4.2,;8.67,2.69,;7.34,1.93,;-3.33,-2.69,;-8.67,-2.69,;-10,-1.93,)| Show InChI InChI=1S/C27H23F3N4O2/c28-27(29,30)21-6-9-24(32-16-21)36-23-3-1-2-18(13-23)12-17-4-7-22(8-5-17)34-26(35)20-14-19-10-11-31-25(19)33-15-20/h1-3,6,9-16,22H,4-5,7-8H2,(H,31,33)(H,34,35)/b17-12-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.20	n/a	n/a	n/a	n/a	n/a	n/a
Advinus Therapeutics Limited Curated by ChEMBL					Assay Description Inhibition of human transmembrane domain deficient FFAH expressed in Escherichia coli using AAMCA as substrate incubated for 1 min measured for 50 mi...				Bioorg Med Chem Lett 29: 238-243 (2019) Article DOI: 10.1016/j.bmcl.2018.11.048 BindingDB Entry DOI: 10.7270/Q2125X14
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM143355 (US9682953, 20.A-1) Show SMILES CCOC(=O)Cn1nc2C(=O)N(C(c2c1C(C)C)c1ccc(Cl)cc1C)c1cc(Cl)ccc1C Show InChI InChI=1S/C25H22F3N3O2/c26-25(27,28)20-8-11-23(30-16-20)33-22-5-1-3-18(14-22)13-17-6-9-21(10-7-17)31-24(32)19-4-2-12-29-15-19/h1-5,8,11-16,21H,6-7,9-10H2,(H,31,32)/b17-13-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.40	n/a	n/a	n/a	n/a	n/a	n/a
Advinus Therapeutics Limited Curated by ChEMBL					Assay Description Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate preincubated for 5 mins followed by NADPH cofactor addition and measured ...				Bioorg Med Chem Lett 29: 238-243 (2019) Article DOI: 10.1016/j.bmcl.2018.11.048 BindingDB Entry DOI: 10.7270/Q2125X14
					More data for this Ligand-Target Pair
Fatty-acid amide hydrolase 1 (Homo sapiens (Human))	BDBM143375 (US9682953, 20.A-11 | US9682953, 20.A-12) Show SMILES FC(F)(F)c1ccc(Oc2cccc(C=C3CCC(CC3)NC(=O)c3cn[nH]c3)c2)nc1 |(-12.67,-.39,;-11.34,.38,;-11.34,1.93,;-11.34,-1.16,;-10,-.38,;-8.67,.38,;-7.34,-.38,;-7.34,-1.93,;-6,-2.69,;-4.67,-1.93,;-4.67,-.38,;-3.33,.38,;-2,-.38,;-2,-1.93,;-.67,-2.69,;.67,-1.93,;2,-2.69,;3.33,-1.93,;3.33,-.38,;2,.38,;.67,-.38,;4.67,.38,;6,-.38,;6,-1.93,;7.34,.39,;7.5,1.92,;9,2.24,;9.77,.9,;8.74,-.24,;-3.33,-2.69,;-8.67,-2.69,;-10,-1.93,)| Show InChI InChI=1S/C23H21F3N4O2/c24-23(25,26)18-6-9-21(27-14-18)32-20-3-1-2-16(11-20)10-15-4-7-19(8-5-15)30-22(31)17-12-28-29-13-17/h1-3,6,9-14,19H,4-5,7-8H2,(H,28,29)(H,30,31)/b15-10-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.60	n/a	n/a	n/a	n/a	n/a	n/a
Advinus Therapeutics Limited Curated by ChEMBL					Assay Description Inhibition of human transmembrane domain deficient FFAH expressed in Escherichia coli using AAMCA as substrate incubated for 1 min measured for 50 mi...				Bioorg Med Chem Lett 29: 238-243 (2019) Article DOI: 10.1016/j.bmcl.2018.11.048 BindingDB Entry DOI: 10.7270/Q2125X14
					More data for this Ligand-Target Pair
Fatty-acid amide hydrolase 1 (Homo sapiens (Human))	BDBM81356 (PF-3845, 10) Show SMILES FC(F)(F)c1ccc(Oc2cccc(CC3CCN(CC3)C(=O)Nc3cccnc3)c2)nc1 Show InChI InChI=1S/C24H23F3N4O2/c25-24(26,27)19-6-7-22(29-15-19)33-21-5-1-3-18(14-21)13-17-8-11-31(12-9-17)23(32)30-20-4-2-10-28-16-20/h1-7,10,14-17H,8-9,11-13H2,(H,30,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	2.60	n/a	n/a	n/a	n/a	n/a	n/a
Advinus Therapeutics Limited Curated by ChEMBL					Assay Description Inhibition of human transmembrane domain deficient FFAH expressed in Escherichia coli using AAMCA as substrate incubated for 1 min measured for 50 mi...				Bioorg Med Chem Lett 29: 238-243 (2019) Article DOI: 10.1016/j.bmcl.2018.11.048 BindingDB Entry DOI: 10.7270/Q2125X14
					More data for this Ligand-Target Pair
Fatty-acid amide hydrolase 1 (Homo sapiens (Human))	BDBM143449 (US9682953, 20.A-19 | US9682953, 20.A-20) Show SMILES FC(F)(F)c1ccc(Oc2cccc(C=C3CCC(CC3)NC(=O)c3cncnc3)c2)nc1 |(-12.67,-.39,;-11.34,.38,;-11.34,1.93,;-11.34,-1.16,;-10,-.38,;-8.67,.38,;-7.34,-.38,;-7.34,-1.93,;-6,-2.69,;-4.67,-1.93,;-4.67,-.38,;-3.33,.38,;-2,-.38,;-2,-1.93,;-.67,-2.69,;.67,-1.93,;2,-2.69,;3.33,-1.93,;3.33,-.38,;2,.38,;.67,-.38,;4.67,.38,;6,-.38,;6,-1.93,;7.34,.38,;8.67,-.38,;10,.38,;10,1.93,;8.67,2.69,;7.34,1.93,;-3.33,-2.69,;-8.67,-2.69,;-10,-1.93,)| Show InChI InChI=1S/C24H21F3N4O2/c25-24(26,27)19-6-9-22(30-14-19)33-21-3-1-2-17(11-21)10-16-4-7-20(8-5-16)31-23(32)18-12-28-15-29-13-18/h1-3,6,9-15,20H,4-5,7-8H2,(H,31,32)/b16-10-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.60	n/a	n/a	n/a	n/a	n/a	n/a
Advinus Therapeutics Limited Curated by ChEMBL					Assay Description Inhibition of human transmembrane domain deficient FFAH expressed in Escherichia coli using AAMCA as substrate incubated for 1 min measured for 50 mi...				Bioorg Med Chem Lett 29: 238-243 (2019) Article DOI: 10.1016/j.bmcl.2018.11.048 BindingDB Entry DOI: 10.7270/Q2125X14
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM143355 (US9682953, 20.A-1) Show SMILES CCOC(=O)Cn1nc2C(=O)N(C(c2c1C(C)C)c1ccc(Cl)cc1C)c1cc(Cl)ccc1C Show InChI InChI=1S/C25H22F3N3O2/c26-25(27,28)20-8-11-23(30-16-20)33-22-5-1-3-18(14-22)13-17-6-9-21(10-7-17)31-24(32)19-4-2-12-29-15-19/h1-5,8,11-16,21H,6-7,9-10H2,(H,31,32)/b17-13-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.70	n/a	n/a	n/a	n/a	n/a	n/a
Advinus Therapeutics Limited Curated by ChEMBL					Assay Description Inhibition of CYP2C9 in human liver microsomes using diclofenac as substrate preincubated for 5 mins followed by NADPH cofactor addition and measured...				Bioorg Med Chem Lett 29: 238-243 (2019) Article DOI: 10.1016/j.bmcl.2018.11.048 BindingDB Entry DOI: 10.7270/Q2125X14
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Homo sapiens (Human))	BDBM50056358 (CHEMBL3326581) Show SMILES Cc1cc2c(NC(=O)N[C@@H]3CC(C)(C)Oc4cc(F)ccc34)cccc2cn1 |r| Show InChI InChI=1S/C22H22FN3O2/c1-13-9-17-14(12-24-13)5-4-6-18(17)25-21(27)26-19-11-22(2,3)28-20-10-15(23)7-8-16(19)20/h4-10,12,19H,11H2,1-3H3,(H2,25,26,27)/t19-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc. Curated by ChEMBL					Assay Description Antagonist activity against human TRPV1 expressed in HEK293 cells assessed as capsaicin-induced calcium flux by FLIPR assay				J Med Chem 57: 7412-24 (2014) Article DOI: 10.1021/jm500916t BindingDB Entry DOI: 10.7270/Q2Z3219J
					More data for this Ligand-Target Pair
Fatty-acid amide hydrolase 1 (Homo sapiens (Human))	BDBM143267 (US9682953, 2.B-15) Show SMILES FC(F)(F)c1ccc(Oc2cccc(C=C3CCC(CC3)NC(=O)c3ccc(nc3)-n3nccn3)c2)nc1 |(-12.39,-3.91,;-11.06,-3.14,;-11.06,-1.6,;-11.06,-4.68,;-9.72,-3.91,;-8.39,-3.14,;-7.06,-3.91,;-7.06,-5.45,;-5.72,-6.22,;-4.39,-5.45,;-4.39,-3.91,;-3.06,-3.14,;-1.72,-3.91,;-1.72,-5.45,;-.39,-6.22,;.94,-5.45,;2.28,-6.22,;3.61,-5.45,;3.61,-3.91,;2.28,-3.14,;.94,-3.91,;4.95,-3.14,;6.28,-3.91,;6.28,-5.45,;7.61,-3.14,;7.61,-1.6,;8.95,-.83,;10.28,-1.6,;10.28,-3.14,;8.95,-3.91,;11.61,-.83,;13.02,-1.45,;14.05,-.31,;13.28,1.02,;11.77,.7,;-3.06,-6.22,;-8.39,-6.22,;-9.72,-5.45,)| Show InChI InChI=1S/C27H23F3N6O2/c28-27(29,30)21-7-11-25(32-17-21)38-23-3-1-2-19(15-23)14-18-4-8-22(9-5-18)35-26(37)20-6-10-24(31-16-20)36-33-12-13-34-36/h1-3,6-7,10-17,22H,4-5,8-9H2,(H,35,37)/b18-14-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Advinus Therapeutics Limited Curated by ChEMBL					Assay Description Inhibition of human transmembrane domain deficient FFAH expressed in Escherichia coli using AAMCA as substrate incubated for 1 min measured for 50 mi...				Bioorg Med Chem Lett 29: 238-243 (2019) Article DOI: 10.1016/j.bmcl.2018.11.048 BindingDB Entry DOI: 10.7270/Q2125X14
					More data for this Ligand-Target Pair
Fatty-acid amide hydrolase 1 (Homo sapiens (Human))	BDBM143362 (US9682953, 20.A-5) Show SMILES Cc1cc(cnc1N)C(=O)NC1CCC(CC1)=Cc1cccc(Oc2ccc(cn2)C(F)(F)F)c1 |(11.34,-.39,;10,.38,;8.67,-.38,;7.34,.38,;7.34,1.93,;8.67,2.69,;10,1.93,;11.34,2.69,;6,-.38,;6,-1.93,;4.67,.38,;3.33,-.38,;3.33,-1.93,;2,-2.69,;.67,-1.93,;.67,-.38,;2,.38,;-.67,-2.69,;-2,-1.93,;-2,-.38,;-3.33,.38,;-4.67,-.38,;-4.67,-1.93,;-6,-2.69,;-7.34,-1.93,;-7.34,-.38,;-8.67,.38,;-10,-.38,;-10,-1.93,;-8.67,-2.69,;-11.34,.38,;-12.67,-.39,;-11.34,1.93,;-11.34,-1.16,;-3.33,-2.69,)| Show InChI InChI=1S/C26H25F3N4O2/c1-16-11-19(14-32-24(16)30)25(34)33-21-8-5-17(6-9-21)12-18-3-2-4-22(13-18)35-23-10-7-20(15-31-23)26(27,28)29/h2-4,7,10-15,21H,5-6,8-9H2,1H3,(H2,30,32)(H,33,34)/b17-12-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Advinus Therapeutics Limited Curated by ChEMBL					Assay Description Inhibition of human transmembrane domain deficient FFAH expressed in Escherichia coli using AAMCA as substrate incubated for 1 min measured for 50 mi...				Bioorg Med Chem Lett 29: 238-243 (2019) Article DOI: 10.1016/j.bmcl.2018.11.048 BindingDB Entry DOI: 10.7270/Q2125X14
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM143359 (US9682953, 20.A-3) Show SMILES Nc1ccc(cn1)C(=O)NC1CCC(CC1)=Cc1cccc(Oc2ccc(cn2)C(F)(F)F)c1 |(12.65,-1.17,;11.31,-1.94,;11.31,-3.48,;9.98,-4.25,;8.65,-3.48,;8.65,-1.94,;9.98,-1.17,;7.31,-4.25,;7.31,-5.79,;5.98,-3.48,;4.65,-4.25,;4.65,-5.79,;3.31,-6.56,;1.98,-5.79,;1.98,-4.25,;3.31,-3.48,;.65,-6.56,;-.69,-5.79,;-.69,-4.25,;-2.02,-3.48,;-3.36,-4.25,;-3.36,-5.79,;-4.69,-6.56,;-6.02,-5.79,;-6.02,-4.25,;-7.36,-3.48,;-8.69,-4.25,;-8.69,-5.79,;-7.36,-6.56,;-10.02,-3.48,;-11.36,-4.25,;-10.02,-1.94,;-10.02,-5.02,;-2.02,-6.56,)| Show InChI InChI=1S/C25H23F3N4O2/c26-25(27,28)19-7-11-23(31-15-19)34-21-3-1-2-17(13-21)12-16-4-8-20(9-5-16)32-24(33)18-6-10-22(29)30-14-18/h1-3,6-7,10-15,20H,4-5,8-9H2,(H2,29,30)(H,32,33)/b16-12-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.40	n/a	n/a	n/a	n/a	n/a	n/a
Advinus Therapeutics Limited Curated by ChEMBL					Assay Description Inhibition of CYP2C9 in human liver microsomes using diclofenac as substrate preincubated for 5 mins followed by NADPH cofactor addition and measured...				Bioorg Med Chem Lett 29: 238-243 (2019) Article DOI: 10.1016/j.bmcl.2018.11.048 BindingDB Entry DOI: 10.7270/Q2125X14
					More data for this Ligand-Target Pair
Fatty-acid amide hydrolase 1 (Homo sapiens (Human))	BDBM143293 (US9682953, 4.A-3) Show SMILES Cc1nc(NC(=O)N2CCC[C@@]2(Cc2ccccc2)C(N)=O)sc1-c1ccnc(n1)C(C)(C)C |r| Show InChI InChI=1S/C25H22ClF3N4O2/c26-21-12-17(13-32-23(21)30)24(34)33-19-7-4-15(5-8-19)10-16-2-1-3-20(11-16)35-22-9-6-18(14-31-22)25(27,28)29/h1-3,6,9-14,19H,4-5,7-8H2,(H2,30,32)(H,33,34)/b15-10-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Advinus Therapeutics Limited Curated by ChEMBL					Assay Description Inhibition of human transmembrane domain deficient FFAH expressed in Escherichia coli using AAMCA as substrate incubated for 1 min measured for 50 mi...				Bioorg Med Chem Lett 29: 238-243 (2019) Article DOI: 10.1016/j.bmcl.2018.11.048 BindingDB Entry DOI: 10.7270/Q2125X14
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Homo sapiens (Human))	BDBM50056352 (CHEMBL3326570) Show SMILES CC1(C)C[C@@H](NC(=O)Nc2cccc3cnccc23)c2ccc(F)cc2O1 |r| Show InChI InChI=1S/C21H20FN3O2/c1-21(2)11-18(16-7-6-14(22)10-19(16)27-21)25-20(26)24-17-5-3-4-13-12-23-9-8-15(13)17/h3-10,12,18H,11H2,1-2H3,(H2,24,25,26)/t18-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc. Curated by ChEMBL					Assay Description Antagonist activity against human TRPV1 expressed in HEK293 cells assessed as capsaicin-induced calcium flux by FLIPR assay				J Med Chem 57: 7412-24 (2014) Article DOI: 10.1021/jm500916t BindingDB Entry DOI: 10.7270/Q2Z3219J
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Homo sapiens (Human))	BDBM50232114 ((R)-1-(5-tert-butyl-2,3-dihydro-1H-inden-1-yl)-3-(...) Show SMILES CC(C)(C)c1ccc2[C@@H](CCc2c1)NC(=O)Nc1cccc2[nH]ncc12 Show InChI InChI=1S/C21H24N4O/c1-21(2,3)14-8-9-15-13(11-14)7-10-18(15)24-20(26)23-17-5-4-6-19-16(17)12-22-25-19/h4-6,8-9,11-12,18H,7,10H2,1-3H3,(H,22,25)(H2,23,24,26)/t18-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc. Curated by ChEMBL					Assay Description Antagonist activity against human TRPV1 expressed in HEK293 cells assessed as capsaicin-induced calcium flux by FLIPR assay				J Med Chem 57: 7412-24 (2014) Article DOI: 10.1021/jm500916t BindingDB Entry DOI: 10.7270/Q2Z3219J
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Homo sapiens (Human))	BDBM50056434 (CHEMBL3326575) Show SMILES CC1(C)C[C@@H](NC(=O)Nc2cccc3cnccc23)c2ccccc2O1 |r| Show InChI InChI=1S/C21H21N3O2/c1-21(2)12-18(16-7-3-4-9-19(16)26-21)24-20(25)23-17-8-5-6-14-13-22-11-10-15(14)17/h3-11,13,18H,12H2,1-2H3,(H2,23,24,25)/t18-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc. Curated by ChEMBL					Assay Description Antagonist activity against human TRPV1 expressed in HEK293 cells assessed as capsaicin-induced calcium flux by FLIPR assay				J Med Chem 57: 7412-24 (2014) Article DOI: 10.1021/jm500916t BindingDB Entry DOI: 10.7270/Q2Z3219J
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM143355 (US9682953, 20.A-1) Show SMILES CCOC(=O)Cn1nc2C(=O)N(C(c2c1C(C)C)c1ccc(Cl)cc1C)c1cc(Cl)ccc1C Show InChI InChI=1S/C25H22F3N3O2/c26-25(27,28)20-8-11-23(30-16-20)33-22-5-1-3-18(14-22)13-17-6-9-21(10-7-17)31-24(32)19-4-2-12-29-15-19/h1-5,8,11-16,21H,6-7,9-10H2,(H,31,32)/b17-13-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.60	n/a	n/a	n/a	n/a	n/a	n/a
Advinus Therapeutics Limited Curated by ChEMBL					Assay Description Inhibition of CYP2C19 in human liver microsomes using (S)-mephenytoin as substrate preincubated for 5 mins followed by NADPH cofactor addition and me...				Bioorg Med Chem Lett 29: 238-243 (2019) Article DOI: 10.1016/j.bmcl.2018.11.048 BindingDB Entry DOI: 10.7270/Q2125X14
					More data for this Ligand-Target Pair
Fatty-acid amide hydrolase 1 (Homo sapiens (Human))	BDBM143359 (US9682953, 20.A-3) Show SMILES Nc1ccc(cn1)C(=O)NC1CCC(CC1)=Cc1cccc(Oc2ccc(cn2)C(F)(F)F)c1 |(12.65,-1.17,;11.31,-1.94,;11.31,-3.48,;9.98,-4.25,;8.65,-3.48,;8.65,-1.94,;9.98,-1.17,;7.31,-4.25,;7.31,-5.79,;5.98,-3.48,;4.65,-4.25,;4.65,-5.79,;3.31,-6.56,;1.98,-5.79,;1.98,-4.25,;3.31,-3.48,;.65,-6.56,;-.69,-5.79,;-.69,-4.25,;-2.02,-3.48,;-3.36,-4.25,;-3.36,-5.79,;-4.69,-6.56,;-6.02,-5.79,;-6.02,-4.25,;-7.36,-3.48,;-8.69,-4.25,;-8.69,-5.79,;-7.36,-6.56,;-10.02,-3.48,;-11.36,-4.25,;-10.02,-1.94,;-10.02,-5.02,;-2.02,-6.56,)| Show InChI InChI=1S/C25H23F3N4O2/c26-25(27,28)19-7-11-23(31-15-19)34-21-3-1-2-17(13-21)12-16-4-8-20(9-5-16)32-24(33)18-6-10-22(29)30-14-18/h1-3,6-7,10-15,20H,4-5,8-9H2,(H2,29,30)(H,32,33)/b16-12-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Advinus Therapeutics Limited Curated by ChEMBL					Assay Description Inhibition of human transmembrane domain deficient FFAH expressed in Escherichia coli using AAMCA as substrate incubated for 1 min measured for 50 mi...				Bioorg Med Chem Lett 29: 238-243 (2019) Article DOI: 10.1016/j.bmcl.2018.11.048 BindingDB Entry DOI: 10.7270/Q2125X14
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Homo sapiens (Human))	BDBM50056426 (CHEMBL3326589) Show SMILES Cc1cc2c(NC(=O)N[C@@H]3CC(CF)(CF)Oc4cc(ccc34)C3CC3)cccc2cn1 |r| Show InChI InChI=1S/C25H25F2N3O2/c1-15-9-20-18(12-28-15)3-2-4-21(20)29-24(31)30-22-11-25(13-26,14-27)32-23-10-17(16-5-6-16)7-8-19(22)23/h2-4,7-10,12,16,22H,5-6,11,13-14H2,1H3,(H2,29,30,31)/t22-/m1/s1	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	5	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc. Curated by ChEMBL					Assay Description Antagonist activity against human TRPV1 expressed in HEK293 cells assessed as capsaicin-induced calcium flux by FLIPR assay				J Med Chem 57: 7412-24 (2014) Article DOI: 10.1021/jm500916t BindingDB Entry DOI: 10.7270/Q2Z3219J
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Homo sapiens (Human))	BDBM50056408 (CHEMBL3326587) Show SMILES Cc1cc2c(NC(=O)N[C@@H]3CC(CF)(CF)Oc4cc(F)ccc34)cccc2cn1 |r| Show InChI InChI=1S/C22H20F3N3O2/c1-13-7-17-14(10-26-13)3-2-4-18(17)27-21(29)28-19-9-22(11-23,12-24)30-20-8-15(25)5-6-16(19)20/h2-8,10,19H,9,11-12H2,1H3,(H2,27,28,29)/t19-/m1/s1	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	5	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc. Curated by ChEMBL					Assay Description Antagonist activity against human TRPV1 expressed in HEK293 cells assessed as capsaicin-induced calcium flux by FLIPR assay				J Med Chem 57: 7412-24 (2014) Article DOI: 10.1021/jm500916t BindingDB Entry DOI: 10.7270/Q2Z3219J
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Homo sapiens (Human))	BDBM50056389 (CHEMBL3326584) Show SMILES Cc1cc2c(NC(=O)N[C@@H]3CC(C)(C)Oc4c(F)c(ccc34)C(F)(F)F)cccc2cn1 |r| Show InChI InChI=1S/C23H21F4N3O2/c1-12-9-15-13(11-28-12)5-4-6-17(15)29-21(31)30-18-10-22(2,3)32-20-14(18)7-8-16(19(20)24)23(25,26)27/h4-9,11,18H,10H2,1-3H3,(H2,29,30,31)/t18-/m1/s1	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	5	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc. Curated by ChEMBL					Assay Description Antagonist activity against human TRPV1 expressed in HEK293 cells assessed as capsaicin-induced calcium flux by FLIPR assay				J Med Chem 57: 7412-24 (2014) Article DOI: 10.1021/jm500916t BindingDB Entry DOI: 10.7270/Q2Z3219J
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Homo sapiens (Human))	BDBM50056387 (CHEMBL3326582) Show SMILES Cc1cc2c(NC(=O)N[C@@H]3CC(C)(C)Oc4c(F)c(F)ccc34)cccc2cn1 |r| Show InChI InChI=1S/C22H21F2N3O2/c1-12-9-15-13(11-25-12)5-4-6-17(15)26-21(28)27-18-10-22(2,3)29-20-14(18)7-8-16(23)19(20)24/h4-9,11,18H,10H2,1-3H3,(H2,26,27,28)/t18-/m1/s1	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	5	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc. Curated by ChEMBL					Assay Description Antagonist activity against human TRPV1 expressed in HEK293 cells assessed as capsaicin-induced calcium flux by FLIPR assay				J Med Chem 57: 7412-24 (2014) Article DOI: 10.1021/jm500916t BindingDB Entry DOI: 10.7270/Q2Z3219J
					More data for this Ligand-Target Pair
Fatty-acid amide hydrolase 1 (Homo sapiens (Human))	BDBM143210 (US9682953, 2.A-22) Show SMILES FC(F)(F)c1ccc(Oc2cccc(C=C3CCC(CC3)NC(=O)c3ccc(Cl)nc3)c2)nc1 |(-12.39,-3.91,;-11.06,-3.14,;-11.06,-1.6,;-11.06,-4.68,;-9.72,-3.91,;-8.39,-3.14,;-7.06,-3.91,;-7.06,-5.45,;-5.72,-6.22,;-4.39,-5.45,;-4.39,-3.91,;-3.06,-3.14,;-1.72,-3.91,;-1.72,-5.45,;-.39,-6.22,;.94,-5.45,;2.28,-6.22,;3.61,-5.45,;3.61,-3.91,;2.28,-3.14,;.94,-3.91,;4.95,-3.14,;6.28,-3.91,;6.28,-5.45,;7.61,-3.14,;7.61,-1.6,;8.95,-.83,;10.28,-1.6,;11.61,-.83,;10.28,-3.14,;8.95,-3.91,;-3.06,-6.22,;-8.39,-6.22,;-9.72,-5.45,)| Show InChI InChI=1S/C25H21ClF3N3O2/c26-22-10-6-18(14-30-22)24(33)32-20-8-4-16(5-9-20)12-17-2-1-3-21(13-17)34-23-11-7-19(15-31-23)25(27,28)29/h1-3,6-7,10-15,20H,4-5,8-9H2,(H,32,33)/b16-12-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.10	n/a	n/a	n/a	n/a	n/a	n/a
Advinus Therapeutics Limited Curated by ChEMBL					Assay Description Inhibition of human transmembrane domain deficient FFAH expressed in Escherichia coli using AAMCA as substrate incubated for 1 min measured for 50 mi...				Bioorg Med Chem Lett 29: 238-243 (2019) Article DOI: 10.1016/j.bmcl.2018.11.048 BindingDB Entry DOI: 10.7270/Q2125X14
					More data for this Ligand-Target Pair
Fatty-acid amide hydrolase 1 (Homo sapiens (Human))	BDBM23120 (7-phenyl-1-[5-(pyridin-2-yl)-1,3-oxazol-2-yl]hepta...) Show SMILES O=C(CCCCCCc1ccccc1)c1ncc(o1)-c1ccccn1 Show InChI InChI=1S/C21H22N2O2/c24-19(14-7-2-1-4-10-17-11-5-3-6-12-17)21-23-16-20(25-21)18-13-8-9-15-22-18/h3,5-6,8-9,11-13,15-16H,1-2,4,7,10,14H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5.20	n/a	n/a	n/a	n/a	n/a	n/a
Advinus Therapeutics Limited Curated by ChEMBL					Assay Description Inhibition of human transmembrane domain deficient FFAH expressed in Escherichia coli using AAMCA as substrate incubated for 1 min measured for 50 mi...				Bioorg Med Chem Lett 29: 238-243 (2019) Article DOI: 10.1016/j.bmcl.2018.11.048 BindingDB Entry DOI: 10.7270/Q2125X14
					More data for this Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579] (Rattus norvegicus (rat))	BDBM50335377 (CHEMBL1651534 | N-Pyridazin-3-yl-4-(3-{[5-(trifluo...) Show SMILES FC(F)(F)c1ccc(-[#8]-c2cccc(\[#6]=[#6]-3\[#6]-[#6]-[#7](-[#6]-[#6]-3)-[#6](=O)-[#7]-c3cccnn3)c2)nc1 Show InChI InChI=1S/C23H20F3N5O2/c24-23(25,26)18-6-7-21(27-15-18)33-19-4-1-3-17(14-19)13-16-8-11-31(12-9-16)22(32)29-20-5-2-10-28-30-20/h1-7,10,13-15H,8-9,11-12H2,(H,29,30,32)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.70	n/a	n/a	n/a	n/a	n/a	n/a
Advinus Therapeutics Limited Curated by ChEMBL					Assay Description Inhibition of rat FFAH expressed in Escherichia coli using AAMCA as substrate incubated for 1 min measured for 50 mins by fluorescence assay				Bioorg Med Chem Lett 29: 238-243 (2019) Article DOI: 10.1016/j.bmcl.2018.11.048 BindingDB Entry DOI: 10.7270/Q2125X14
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Homo sapiens (Human))	BDBM50056353 (CHEMBL3326576) Show SMILES CC1(C)C[C@@H](NC(=O)Nc2cccc3cnccc23)c2ccc(OC(F)(F)F)cc2O1 |r| Show InChI InChI=1S/C22H20F3N3O3/c1-21(2)11-18(16-7-6-14(10-19(16)31-21)30-22(23,24)25)28-20(29)27-17-5-3-4-13-12-26-9-8-15(13)17/h3-10,12,18H,11H2,1-2H3,(H2,27,28,29)/t18-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc. Curated by ChEMBL					Assay Description Antagonist activity against human TRPV1 expressed in HEK293 cells assessed as capsaicin-induced calcium flux by FLIPR assay				J Med Chem 57: 7412-24 (2014) Article DOI: 10.1021/jm500916t BindingDB Entry DOI: 10.7270/Q2Z3219J
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Homo sapiens (Human))	BDBM50056354 (CHEMBL3326577) Show SMILES CCC1(CC)C[C@@H](NC(=O)Nc2cccc3cnccc23)c2cc(F)ccc2O1 |r| Show InChI InChI=1S/C23H24FN3O2/c1-3-23(4-2)13-20(18-12-16(24)8-9-21(18)29-23)27-22(28)26-19-7-5-6-15-14-25-11-10-17(15)19/h5-12,14,20H,3-4,13H2,1-2H3,(H2,26,27,28)/t20-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc. Curated by ChEMBL					Assay Description Antagonist activity against human TRPV1 expressed in HEK293 cells assessed as capsaicin-induced calcium flux by FLIPR assay				J Med Chem 57: 7412-24 (2014) Article DOI: 10.1021/jm500916t BindingDB Entry DOI: 10.7270/Q2Z3219J
					More data for this Ligand-Target Pair
Fatty-acid amide hydrolase 1 (Homo sapiens (Human))	BDBM143208 (US9682953, 2.A-19) Show SMILES FC(F)(F)c1ccc(Oc2cccc(C=C3CCC(CC3)NC(=O)c3cn[nH]n3)c2)nc1 |(-12.39,-3.91,;-11.06,-3.14,;-11.06,-1.6,;-11.06,-4.68,;-9.72,-3.91,;-8.39,-3.14,;-7.06,-3.91,;-7.06,-5.45,;-5.72,-6.22,;-4.39,-5.45,;-4.39,-3.91,;-3.06,-3.14,;-1.72,-3.91,;-1.72,-5.45,;-.39,-6.22,;.94,-5.45,;2.28,-6.22,;3.61,-5.45,;3.61,-3.91,;2.28,-3.14,;.94,-3.91,;4.95,-3.14,;6.28,-3.91,;6.28,-5.45,;7.61,-3.14,;9.02,-3.76,;10.05,-2.62,;9.28,-1.29,;7.77,-1.61,;-3.06,-6.22,;-8.39,-6.22,;-9.72,-5.45,)| Show InChI InChI=1S/C22H20F3N5O2/c23-22(24,25)16-6-9-20(26-12-16)32-18-3-1-2-15(11-18)10-14-4-7-17(8-5-14)28-21(31)19-13-27-30-29-19/h1-3,6,9-13,17H,4-5,7-8H2,(H,28,31)(H,27,29,30)/b14-10-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Advinus Therapeutics Limited Curated by ChEMBL					Assay Description Inhibition of human transmembrane domain deficient FFAH expressed in Escherichia coli using AAMCA as substrate incubated for 1 min measured for 50 mi...				Bioorg Med Chem Lett 29: 238-243 (2019) Article DOI: 10.1016/j.bmcl.2018.11.048 BindingDB Entry DOI: 10.7270/Q2125X14
					More data for this Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579] (Rattus norvegicus (rat))	BDBM143373 (US9682953, 20.A-10 | US9682953, 20.A-9) Show SMILES Nc1ncc(cn1)C(=O)NC1CCC(CC1)=Cc1cccc(Oc2ccc(cn2)C(F)(F)F)c1 |(11.34,2.69,;10,1.93,;10,.38,;8.67,-.38,;7.34,.38,;7.34,1.93,;8.67,2.69,;6,-.38,;6,-1.93,;4.67,.38,;3.33,-.38,;3.33,-1.93,;2,-2.69,;.67,-1.93,;.67,-.38,;2,.38,;-.67,-2.69,;-2,-1.93,;-2,-.38,;-3.33,.38,;-4.67,-.38,;-4.67,-1.93,;-6,-2.69,;-7.34,-1.93,;-7.34,-.38,;-8.67,.38,;-10,-.38,;-10,-1.93,;-8.67,-2.69,;-11.34,.38,;-12.67,-.39,;-11.34,1.93,;-11.34,-1.16,;-3.33,-2.69,)| Show InChI InChI=1S/C24H22F3N5O2/c25-24(26,27)18-6-9-21(29-14-18)34-20-3-1-2-16(11-20)10-15-4-7-19(8-5-15)32-22(33)17-12-30-23(28)31-13-17/h1-3,6,9-14,19H,4-5,7-8H2,(H,32,33)(H2,28,30,31)/b15-10-	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.20	n/a	n/a	n/a	n/a	n/a	n/a
Advinus Therapeutics Limited Curated by ChEMBL					Assay Description Inhibition of rat FFAH expressed in Escherichia coli using AAMCA as substrate incubated for 1 min measured for 50 mins by fluorescence assay				Bioorg Med Chem Lett 29: 238-243 (2019) Article DOI: 10.1016/j.bmcl.2018.11.048 BindingDB Entry DOI: 10.7270/Q2125X14
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM143373 (US9682953, 20.A-10 | US9682953, 20.A-9) Show SMILES Nc1ncc(cn1)C(=O)NC1CCC(CC1)=Cc1cccc(Oc2ccc(cn2)C(F)(F)F)c1 |(11.34,2.69,;10,1.93,;10,.38,;8.67,-.38,;7.34,.38,;7.34,1.93,;8.67,2.69,;6,-.38,;6,-1.93,;4.67,.38,;3.33,-.38,;3.33,-1.93,;2,-2.69,;.67,-1.93,;.67,-.38,;2,.38,;-.67,-2.69,;-2,-1.93,;-2,-.38,;-3.33,.38,;-4.67,-.38,;-4.67,-1.93,;-6,-2.69,;-7.34,-1.93,;-7.34,-.38,;-8.67,.38,;-10,-.38,;-10,-1.93,;-8.67,-2.69,;-11.34,.38,;-12.67,-.39,;-11.34,1.93,;-11.34,-1.16,;-3.33,-2.69,)| Show InChI InChI=1S/C24H22F3N5O2/c25-24(26,27)18-6-9-21(29-14-18)34-20-3-1-2-16(11-20)10-15-4-7-19(8-5-15)32-22(33)17-12-30-23(28)31-13-17/h1-3,6,9-14,19H,4-5,7-8H2,(H,32,33)(H2,28,30,31)/b15-10-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.5	n/a	n/a	n/a	n/a	n/a	n/a
Advinus Therapeutics Limited Curated by ChEMBL					Assay Description Inhibition of CYP2C9 in human liver microsomes using diclofenac as substrate preincubated for 5 mins followed by NADPH cofactor addition and measured...				Bioorg Med Chem Lett 29: 238-243 (2019) Article DOI: 10.1016/j.bmcl.2018.11.048 BindingDB Entry DOI: 10.7270/Q2125X14
					More data for this Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579] (Rattus norvegicus (rat))	BDBM50518212 (CHEMBL4435842) Show SMILES FC(F)(F)c1ccc(Oc2cccc(C=C3CCC(CC3)NC(=O)c3ccc(nc3)-n3cccn3)c2)nc1 Show InChI InChI=1S/C28H24F3N5O2/c29-28(30,31)22-8-12-26(33-18-22)38-24-4-1-3-20(16-24)15-19-5-9-23(10-6-19)35-27(37)21-7-11-25(32-17-21)36-14-2-13-34-36/h1-4,7-8,11-18,23H,5-6,9-10H2,(H,35,37)/b19-15-	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.60	n/a	n/a	n/a	n/a	n/a	n/a
Advinus Therapeutics Limited Curated by ChEMBL					Assay Description Inhibition of rat FFAH expressed in Escherichia coli using AAMCA as substrate incubated for 1 min measured for 50 mins by fluorescence assay				Bioorg Med Chem Lett 29: 238-243 (2019) Article DOI: 10.1016/j.bmcl.2018.11.048 BindingDB Entry DOI: 10.7270/Q2125X14
					More data for this Ligand-Target Pair
Fatty-acid amide hydrolase 1 (Homo sapiens (Human))	BDBM50518212 (CHEMBL4435842) Show SMILES FC(F)(F)c1ccc(Oc2cccc(C=C3CCC(CC3)NC(=O)c3ccc(nc3)-n3cccn3)c2)nc1 Show InChI InChI=1S/C28H24F3N5O2/c29-28(30,31)22-8-12-26(33-18-22)38-24-4-1-3-20(16-24)15-19-5-9-23(10-6-19)35-27(37)21-7-11-25(32-17-21)36-14-2-13-34-36/h1-4,7-8,11-18,23H,5-6,9-10H2,(H,35,37)/b19-15-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.70	n/a	n/a	n/a	n/a	n/a	n/a
Advinus Therapeutics Limited Curated by ChEMBL					Assay Description Inhibition of human transmembrane domain deficient FFAH expressed in Escherichia coli using AAMCA as substrate incubated for 1 min measured for 50 mi...				Bioorg Med Chem Lett 29: 238-243 (2019) Article DOI: 10.1016/j.bmcl.2018.11.048 BindingDB Entry DOI: 10.7270/Q2125X14
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Homo sapiens (Human))	BDBM50056437 (CHEMBL3326572) Show SMILES CN1N=CC2C1C=CC=C2NC(=O)N[C@@H]1CC(C)(C)Oc2cc(F)ccc12 |r,c:2,7,9| Show InChI InChI=1S/C20H23FN4O2/c1-20(2)10-16(13-8-7-12(21)9-18(13)27-20)24-19(26)23-15-5-4-6-17-14(15)11-22-25(17)3/h4-9,11,14,16-17H,10H2,1-3H3,(H2,23,24,26)/t14?,16-,17?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc. Curated by ChEMBL					Assay Description Antagonist activity against human TRPV1 expressed in HEK293 cells assessed as capsaicin-induced calcium flux by FLIPR assay				J Med Chem 57: 7412-24 (2014) Article DOI: 10.1021/jm500916t BindingDB Entry DOI: 10.7270/Q2Z3219J
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Homo sapiens (Human))	BDBM50056436 (CHEMBL3326573) Show SMILES CC1(C)C[C@@H](NC(=O)Nc2cccc3CC[C@@H](O)Cc23)c2ccc(F)cc2O1 |r| Show InChI InChI=1S/C22H25FN2O3/c1-22(2)12-19(16-9-7-14(23)10-20(16)28-22)25-21(27)24-18-5-3-4-13-6-8-15(26)11-17(13)18/h3-5,7,9-10,15,19,26H,6,8,11-12H2,1-2H3,(H2,24,25,27)/t15-,19-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc. Curated by ChEMBL					Assay Description Antagonist activity against human TRPV1 expressed in HEK293 cells assessed as capsaicin-induced calcium flux by FLIPR assay				J Med Chem 57: 7412-24 (2014) Article DOI: 10.1021/jm500916t BindingDB Entry DOI: 10.7270/Q2Z3219J
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Homo sapiens (Human))	BDBM50056435 (CHEMBL3326574) Show SMILES CC1(C)C[C@@H](NC(=O)Nc2cccc3CC[C@H](O)Cc23)c2ccc(F)cc2O1 |r| Show InChI InChI=1S/C22H25FN2O3/c1-22(2)12-19(16-9-7-14(23)10-20(16)28-22)25-21(27)24-18-5-3-4-13-6-8-15(26)11-17(13)18/h3-5,7,9-10,15,19,26H,6,8,11-12H2,1-2H3,(H2,24,25,27)/t15-,19+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc. Curated by ChEMBL					Assay Description Antagonist activity against human TRPV1 expressed in HEK293 cells assessed as capsaicin-induced calcium flux by FLIPR assay				J Med Chem 57: 7412-24 (2014) Article DOI: 10.1021/jm500916t BindingDB Entry DOI: 10.7270/Q2Z3219J
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Homo sapiens (Human))	BDBM50056425 (CHEMBL3326588) Show SMILES Cc1cc2c(NC(=O)N[C@@H]3CC(CF)(CF)Oc4cc(Cl)ccc34)cccc2cn1 |r| Show InChI InChI=1S/C22H20ClF2N3O2/c1-13-7-17-14(10-26-13)3-2-4-18(17)27-21(29)28-19-9-22(11-24,12-25)30-20-8-15(23)5-6-16(19)20/h2-8,10,19H,9,11-12H2,1H3,(H2,27,28,29)/t19-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc. Curated by ChEMBL					Assay Description Antagonist activity against human TRPV1 expressed in HEK293 cells assessed as capsaicin-induced calcium flux by FLIPR assay				J Med Chem 57: 7412-24 (2014) Article DOI: 10.1021/jm500916t BindingDB Entry DOI: 10.7270/Q2Z3219J
					More data for this Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579] (Rattus norvegicus (rat))	BDBM143267 (US9682953, 2.B-15) Show SMILES FC(F)(F)c1ccc(Oc2cccc(C=C3CCC(CC3)NC(=O)c3ccc(nc3)-n3nccn3)c2)nc1 |(-12.39,-3.91,;-11.06,-3.14,;-11.06,-1.6,;-11.06,-4.68,;-9.72,-3.91,;-8.39,-3.14,;-7.06,-3.91,;-7.06,-5.45,;-5.72,-6.22,;-4.39,-5.45,;-4.39,-3.91,;-3.06,-3.14,;-1.72,-3.91,;-1.72,-5.45,;-.39,-6.22,;.94,-5.45,;2.28,-6.22,;3.61,-5.45,;3.61,-3.91,;2.28,-3.14,;.94,-3.91,;4.95,-3.14,;6.28,-3.91,;6.28,-5.45,;7.61,-3.14,;7.61,-1.6,;8.95,-.83,;10.28,-1.6,;10.28,-3.14,;8.95,-3.91,;11.61,-.83,;13.02,-1.45,;14.05,-.31,;13.28,1.02,;11.77,.7,;-3.06,-6.22,;-8.39,-6.22,;-9.72,-5.45,)| Show InChI InChI=1S/C27H23F3N6O2/c28-27(29,30)21-7-11-25(32-17-21)38-23-3-1-2-19(15-23)14-18-4-8-22(9-5-18)35-26(37)20-6-10-24(31-16-20)36-33-12-13-34-36/h1-3,6-7,10-17,22H,4-5,8-9H2,(H,35,37)/b18-14-	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Advinus Therapeutics Limited Curated by ChEMBL					Assay Description Inhibition of rat FFAH expressed in Escherichia coli using AAMCA as substrate incubated for 1 min measured for 50 mins by fluorescence assay				Bioorg Med Chem Lett 29: 238-243 (2019) Article DOI: 10.1016/j.bmcl.2018.11.048 BindingDB Entry DOI: 10.7270/Q2125X14
					More data for this Ligand-Target Pair
Fatty-acid amide hydrolase 1 (Homo sapiens (Human))	BDBM143402 (US9682953, 20.A-15 | US9682953, 20.A-16) Show SMILES FC(F)(F)c1ccc(Oc2cccc(C=C3CCC(CC3)NC(=O)c3cccnn3)c2)nc1 |(-12.67,-.39,;-11.34,.38,;-11.34,1.93,;-11.34,-1.16,;-10,-.38,;-8.67,.38,;-7.34,-.38,;-7.34,-1.93,;-6,-2.69,;-4.67,-1.93,;-4.67,-.38,;-3.33,.38,;-2,-.38,;-2,-1.93,;-.67,-2.69,;.67,-1.93,;2,-2.69,;3.33,-1.93,;3.33,-.38,;2,.38,;.67,-.38,;4.67,.38,;6,-.38,;6,-1.93,;7.34,.38,;7.34,1.93,;8.67,2.69,;10,1.93,;10,.38,;8.67,-.38,;-3.33,-2.69,;-8.67,-2.69,;-10,-1.93,)| Show InChI InChI=1S/C24H21F3N4O2/c25-24(26,27)18-8-11-22(28-15-18)33-20-4-1-3-17(14-20)13-16-6-9-19(10-7-16)30-23(32)21-5-2-12-29-31-21/h1-5,8,11-15,19H,6-7,9-10H2,(H,30,32)/b16-13-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Advinus Therapeutics Limited Curated by ChEMBL					Assay Description Inhibition of human transmembrane domain deficient FFAH expressed in Escherichia coli using AAMCA as substrate incubated for 1 min measured for 50 mi...				Bioorg Med Chem Lett 29: 238-243 (2019) Article DOI: 10.1016/j.bmcl.2018.11.048 BindingDB Entry DOI: 10.7270/Q2125X14
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM143359 (US9682953, 20.A-3) Show SMILES Nc1ccc(cn1)C(=O)NC1CCC(CC1)=Cc1cccc(Oc2ccc(cn2)C(F)(F)F)c1 |(12.65,-1.17,;11.31,-1.94,;11.31,-3.48,;9.98,-4.25,;8.65,-3.48,;8.65,-1.94,;9.98,-1.17,;7.31,-4.25,;7.31,-5.79,;5.98,-3.48,;4.65,-4.25,;4.65,-5.79,;3.31,-6.56,;1.98,-5.79,;1.98,-4.25,;3.31,-3.48,;.65,-6.56,;-.69,-5.79,;-.69,-4.25,;-2.02,-3.48,;-3.36,-4.25,;-3.36,-5.79,;-4.69,-6.56,;-6.02,-5.79,;-6.02,-4.25,;-7.36,-3.48,;-8.69,-4.25,;-8.69,-5.79,;-7.36,-6.56,;-10.02,-3.48,;-11.36,-4.25,;-10.02,-1.94,;-10.02,-5.02,;-2.02,-6.56,)| Show InChI InChI=1S/C25H23F3N4O2/c26-25(27,28)19-7-11-23(31-15-19)34-21-3-1-2-17(13-21)12-16-4-8-20(9-5-16)32-24(33)18-6-10-22(29)30-14-18/h1-3,6-7,10-15,20H,4-5,8-9H2,(H2,29,30)(H,32,33)/b16-12-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.10	n/a	n/a	n/a	n/a	n/a	n/a
Advinus Therapeutics Limited Curated by ChEMBL					Assay Description Inhibition of CYP2C19 in human liver microsomes using (S)-mephenytoin as substrate preincubated for 5 mins followed by NADPH cofactor addition and me...				Bioorg Med Chem Lett 29: 238-243 (2019) Article DOI: 10.1016/j.bmcl.2018.11.048 BindingDB Entry DOI: 10.7270/Q2125X14
					More data for this Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579] (Rattus norvegicus (rat))	BDBM143362 (US9682953, 20.A-5) Show SMILES Cc1cc(cnc1N)C(=O)NC1CCC(CC1)=Cc1cccc(Oc2ccc(cn2)C(F)(F)F)c1 |(11.34,-.39,;10,.38,;8.67,-.38,;7.34,.38,;7.34,1.93,;8.67,2.69,;10,1.93,;11.34,2.69,;6,-.38,;6,-1.93,;4.67,.38,;3.33,-.38,;3.33,-1.93,;2,-2.69,;.67,-1.93,;.67,-.38,;2,.38,;-.67,-2.69,;-2,-1.93,;-2,-.38,;-3.33,.38,;-4.67,-.38,;-4.67,-1.93,;-6,-2.69,;-7.34,-1.93,;-7.34,-.38,;-8.67,.38,;-10,-.38,;-10,-1.93,;-8.67,-2.69,;-11.34,.38,;-12.67,-.39,;-11.34,1.93,;-11.34,-1.16,;-3.33,-2.69,)| Show InChI InChI=1S/C26H25F3N4O2/c1-16-11-19(14-32-24(16)30)25(34)33-21-8-5-17(6-9-21)12-18-3-2-4-22(13-18)35-23-10-7-20(15-31-23)26(27,28)29/h2-4,7,10-15,21H,5-6,8-9H2,1H3,(H2,30,32)(H,33,34)/b17-12-	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.20	n/a	n/a	n/a	n/a	n/a	n/a
Advinus Therapeutics Limited Curated by ChEMBL					Assay Description Inhibition of rat FFAH expressed in Escherichia coli using AAMCA as substrate incubated for 1 min measured for 50 mins by fluorescence assay				Bioorg Med Chem Lett 29: 238-243 (2019) Article DOI: 10.1016/j.bmcl.2018.11.048 BindingDB Entry DOI: 10.7270/Q2125X14
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM143362 (US9682953, 20.A-5) Show SMILES Cc1cc(cnc1N)C(=O)NC1CCC(CC1)=Cc1cccc(Oc2ccc(cn2)C(F)(F)F)c1 |(11.34,-.39,;10,.38,;8.67,-.38,;7.34,.38,;7.34,1.93,;8.67,2.69,;10,1.93,;11.34,2.69,;6,-.38,;6,-1.93,;4.67,.38,;3.33,-.38,;3.33,-1.93,;2,-2.69,;.67,-1.93,;.67,-.38,;2,.38,;-.67,-2.69,;-2,-1.93,;-2,-.38,;-3.33,.38,;-4.67,-.38,;-4.67,-1.93,;-6,-2.69,;-7.34,-1.93,;-7.34,-.38,;-8.67,.38,;-10,-.38,;-10,-1.93,;-8.67,-2.69,;-11.34,.38,;-12.67,-.39,;-11.34,1.93,;-11.34,-1.16,;-3.33,-2.69,)| Show InChI InChI=1S/C26H25F3N4O2/c1-16-11-19(14-32-24(16)30)25(34)33-21-8-5-17(6-9-21)12-18-3-2-4-22(13-18)35-23-10-7-20(15-31-23)26(27,28)29/h2-4,7,10-15,21H,5-6,8-9H2,1H3,(H2,30,32)(H,33,34)/b17-12-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.20	n/a	n/a	n/a	n/a	n/a	n/a
Advinus Therapeutics Limited Curated by ChEMBL					Assay Description Inhibition of CYP2C9 in human liver microsomes using diclofenac as substrate preincubated for 5 mins followed by NADPH cofactor addition and measured...				Bioorg Med Chem Lett 29: 238-243 (2019) Article DOI: 10.1016/j.bmcl.2018.11.048 BindingDB Entry DOI: 10.7270/Q2125X14
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM143355 (US9682953, 20.A-1) Show SMILES CCOC(=O)Cn1nc2C(=O)N(C(c2c1C(C)C)c1ccc(Cl)cc1C)c1cc(Cl)ccc1C Show InChI InChI=1S/C25H22F3N3O2/c26-25(27,28)20-8-11-23(30-16-20)33-22-5-1-3-18(14-22)13-17-6-9-21(10-7-17)31-24(32)19-4-2-12-29-15-19/h1-5,8,11-16,21H,6-7,9-10H2,(H,31,32)/b17-13-	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>10	n/a	n/a	n/a	n/a	n/a	n/a
Advinus Therapeutics Limited Curated by ChEMBL					Assay Description Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate preincubated for 5 mins followed by NADPH cofactor addition and me...				Bioorg Med Chem Lett 29: 238-243 (2019) Article DOI: 10.1016/j.bmcl.2018.11.048 BindingDB Entry DOI: 10.7270/Q2125X14
					More data for this Ligand-Target Pair
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM143355 (US9682953, 20.A-1) Show SMILES CCOC(=O)Cn1nc2C(=O)N(C(c2c1C(C)C)c1ccc(Cl)cc1C)c1cc(Cl)ccc1C Show InChI InChI=1S/C25H22F3N3O2/c26-25(27,28)20-8-11-23(30-16-20)33-22-5-1-3-18(14-22)13-17-6-9-21(10-7-17)31-24(32)19-4-2-12-29-15-19/h1-5,8,11-16,21H,6-7,9-10H2,(H,31,32)/b17-13-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>10	n/a	n/a	n/a	n/a	n/a	n/a
Advinus Therapeutics Limited Curated by ChEMBL					Assay Description Inhibition of CYP1A2 in human liver microsomes using phenacetin as substrate preincubated for 5 mins followed by NADPH cofactor addition and measured...				Bioorg Med Chem Lett 29: 238-243 (2019) Article DOI: 10.1016/j.bmcl.2018.11.048 BindingDB Entry DOI: 10.7270/Q2125X14
					More data for this Ligand-Target Pair

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