Compile Data Set for Download or QSAR

Found 4101 hits with Last Name = 'xie' and Initial = 'h'   

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
Muscarinic acetylcholine receptor M3 (Homo sapiens (Human))	BDBM50412728 (CHEMBL521523) Show SMILES C[C@H]1CN(Cc2cccc(c2)-c2cc(CNC(=O)c3cccc(CC4CCNCC4)c3)ccc2F)CCN1 |r| Show InChI InChI=1S/C32H39FN4O/c1-23-21-37(15-14-35-23)22-27-5-3-6-28(18-27)30-19-26(8-9-31(30)33)20-36-32(38)29-7-2-4-25(17-29)16-24-10-12-34-13-11-24/h2-9,17-19,23-24,34-35H,10-16,20-22H2,1H3,(H,36,38)/t23-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0316	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Displacement of [3H]N-methyl Scopolamine from human cloned muscarinic M3 receptor expressed in CHO cells by scintillation proximity assay				J Med Chem 51: 5915-8 (2008) Article DOI: 10.1021/jm800935u BindingDB Entry DOI: 10.7270/Q21G0NHB
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (Homo sapiens (Human))	BDBM50345693 ((3-endo)-3-(2-Cyano-2,2-diphenylethyl)-8,8-dimethy...) Show SMILES C[N+]1(C)[C@@H]2CC[C@@H]1CC(CC(C#N)(c1ccccc1)c1ccccc1)C2 |r,THB:9:8:1:4.5| Show InChI InChI=1S/C24H29N2/c1-26(2)22-13-14-23(26)16-19(15-22)17-24(18-25,20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-12,19,22-23H,13-17H2,1-2H3/q+1/t22-,23-/m1/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Displacement of [3H]N-methyl Scopolamine from human muscarinic M1 receptor expressed in CHO cells by scintillation proximity assay				J Med Chem 52: 5241-52 (2010) Article DOI: 10.1021/jm900736e BindingDB Entry DOI: 10.7270/Q2PK0H54
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (Homo sapiens (Human))	BDBM50345693 ((3-endo)-3-(2-Cyano-2,2-diphenylethyl)-8,8-dimethy...) Show SMILES C[N+]1(C)[C@@H]2CC[C@@H]1CC(CC(C#N)(c1ccccc1)c1ccccc1)C2 |r,THB:9:8:1:4.5| Show InChI InChI=1S/C24H29N2/c1-26(2)22-13-14-23(26)16-19(15-22)17-24(18-25,20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-12,19,22-23H,13-17H2,1-2H3/q+1/t22-,23-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Displacement of [3H]N-methyl Scopolamine from human muscarinic M3 receptor expressed in CHO cells by scintillation proximity assay				J Med Chem 52: 5241-52 (2010) Article DOI: 10.1021/jm900736e BindingDB Entry DOI: 10.7270/Q2PK0H54
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (Homo sapiens (Human))	BDBM50381654 (CHEMBL2023764) Show SMILES C[N@+]1(CCCCC=C)C2CCC1C[C@@H](CC(C#N)(c1ccccc1)c1ccccc1)C2 |r,wU:1.1,wD:13.14,1.0,TLB:0:1:13.12.30:10.9,THB:2:1:13.12.30:10.9,14:13:1:10.9,(20.22,-1.4,;21.72,-1.81,;22.48,-.47,;21.7,.86,;22.46,2.2,;21.68,3.53,;22.44,4.87,;21.66,6.2,;22.77,-2.64,;22.17,-3.98,;20.99,-4.69,;21.98,-3.34,;23.82,-3.34,;24.8,-4.15,;25.57,-5.48,;27.11,-5.48,;27.5,-3.98,;27.89,-2.48,;27.88,-6.81,;27.11,-8.14,;27.89,-9.47,;29.43,-9.47,;30.19,-8.12,;29.42,-6.8,;28.59,-5.07,;29.68,-6.15,;31.16,-5.75,;31.55,-4.26,;30.45,-3.18,;28.97,-3.59,;24.53,-2.61,)| Show InChI InChI=1S/C29H37N2/c1-3-4-5-12-19-31(2)27-17-18-28(31)21-24(20-27)22-29(23-30,25-13-8-6-9-14-25)26-15-10-7-11-16-26/h3,6-11,13-16,24,27-28H,1,4-5,12,17-22H2,2H3/q+1/t24-,27?,28?,31-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Displacement of [3H]-N-methyl scopolamine from muscarinic acetylcholine M2 receptor expressed in CHO cell membrane				Bioorg Med Chem Lett 22: 3366-9 (2012) Article DOI: 10.1016/j.bmcl.2012.02.015 BindingDB Entry DOI: 10.7270/Q2C82B9Q
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (Homo sapiens (Human))	BDBM50381654 (CHEMBL2023764) Show SMILES C[N@+]1(CCCCC=C)C2CCC1C[C@@H](CC(C#N)(c1ccccc1)c1ccccc1)C2 |r,wU:1.1,wD:13.14,1.0,TLB:0:1:13.12.30:10.9,THB:2:1:13.12.30:10.9,14:13:1:10.9,(20.22,-1.4,;21.72,-1.81,;22.48,-.47,;21.7,.86,;22.46,2.2,;21.68,3.53,;22.44,4.87,;21.66,6.2,;22.77,-2.64,;22.17,-3.98,;20.99,-4.69,;21.98,-3.34,;23.82,-3.34,;24.8,-4.15,;25.57,-5.48,;27.11,-5.48,;27.5,-3.98,;27.89,-2.48,;27.88,-6.81,;27.11,-8.14,;27.89,-9.47,;29.43,-9.47,;30.19,-8.12,;29.42,-6.8,;28.59,-5.07,;29.68,-6.15,;31.16,-5.75,;31.55,-4.26,;30.45,-3.18,;28.97,-3.59,;24.53,-2.61,)| Show InChI InChI=1S/C29H37N2/c1-3-4-5-12-19-31(2)27-17-18-28(31)21-24(20-27)22-29(23-30,25-13-8-6-9-14-25)26-15-10-7-11-16-26/h3,6-11,13-16,24,27-28H,1,4-5,12,17-22H2,2H3/q+1/t24-,27?,28?,31-	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Displacement of [3H]-N-methyl scopolamine from muscarinic acetylcholine M1 receptor expressed in CHO cell membrane				Bioorg Med Chem Lett 22: 3366-9 (2012) Article DOI: 10.1016/j.bmcl.2012.02.015 BindingDB Entry DOI: 10.7270/Q2C82B9Q
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (Homo sapiens (Human))	BDBM50381654 (CHEMBL2023764) Show SMILES C[N@+]1(CCCCC=C)C2CCC1C[C@@H](CC(C#N)(c1ccccc1)c1ccccc1)C2 |r,wU:1.1,wD:13.14,1.0,TLB:0:1:13.12.30:10.9,THB:2:1:13.12.30:10.9,14:13:1:10.9,(20.22,-1.4,;21.72,-1.81,;22.48,-.47,;21.7,.86,;22.46,2.2,;21.68,3.53,;22.44,4.87,;21.66,6.2,;22.77,-2.64,;22.17,-3.98,;20.99,-4.69,;21.98,-3.34,;23.82,-3.34,;24.8,-4.15,;25.57,-5.48,;27.11,-5.48,;27.5,-3.98,;27.89,-2.48,;27.88,-6.81,;27.11,-8.14,;27.89,-9.47,;29.43,-9.47,;30.19,-8.12,;29.42,-6.8,;28.59,-5.07,;29.68,-6.15,;31.16,-5.75,;31.55,-4.26,;30.45,-3.18,;28.97,-3.59,;24.53,-2.61,)| Show InChI InChI=1S/C29H37N2/c1-3-4-5-12-19-31(2)27-17-18-28(31)21-24(20-27)22-29(23-30,25-13-8-6-9-14-25)26-15-10-7-11-16-26/h3,6-11,13-16,24,27-28H,1,4-5,12,17-22H2,2H3/q+1/t24-,27?,28?,31-	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.160	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Displacement of [3H]-N-methyl scopolamine from muscarinic acetylcholine M3 receptor expressed in CHO cell membrane				Bioorg Med Chem Lett 22: 3366-9 (2012) Article DOI: 10.1016/j.bmcl.2012.02.015 BindingDB Entry DOI: 10.7270/Q2C82B9Q
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (Homo sapiens (Human))	BDBM50345693 ((3-endo)-3-(2-Cyano-2,2-diphenylethyl)-8,8-dimethy...) Show SMILES C[N+]1(C)[C@@H]2CC[C@@H]1CC(CC(C#N)(c1ccccc1)c1ccccc1)C2 |r,THB:9:8:1:4.5| Show InChI InChI=1S/C24H29N2/c1-26(2)22-13-14-23(26)16-19(15-22)17-24(18-25,20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-12,19,22-23H,13-17H2,1-2H3/q+1/t22-,23-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.170	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Displacement of [3H]N-methyl Scopolamine from human muscarinic M2 receptor expressed in CHO cells by scintillation proximity assay				J Med Chem 52: 5241-52 (2010) Article DOI: 10.1021/jm900736e BindingDB Entry DOI: 10.7270/Q2PK0H54
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (Homo sapiens (Human))	BDBM50345692 ((3-endo)-3-(2,2-Di-2-thienylethenyl)-8,8-dimethyl-...) Show SMILES [#6][N+]1([#6])[#6@@H]-2-[#6]-[#6]-[#6@@H]1-[#6]-[#6](-[#6]-2)\[#6]=[#6](/c1cccs1)-c1cccs1 |r,THB:10:8:1:4.5| Show InChI InChI=1S/C19H24NS2/c1-20(2)15-7-8-16(20)12-14(11-15)13-17(18-5-3-9-21-18)19-6-4-10-22-19/h3-6,9-10,13-16H,7-8,11-12H2,1-2H3/q+1/t15-,16-/m1/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	0.380	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Displacement of [3H]N-methyl Scopolamine from human muscarinic M1 receptor expressed in CHO cells by scintillation proximity assay				J Med Chem 52: 5241-52 (2010) Article DOI: 10.1021/jm900736e BindingDB Entry DOI: 10.7270/Q2PK0H54
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (Homo sapiens (Human))	BDBM50345692 ((3-endo)-3-(2,2-Di-2-thienylethenyl)-8,8-dimethyl-...) Show SMILES [#6][N+]1([#6])[#6@@H]-2-[#6]-[#6]-[#6@@H]1-[#6]-[#6](-[#6]-2)\[#6]=[#6](/c1cccs1)-c1cccs1 |r,THB:10:8:1:4.5| Show InChI InChI=1S/C19H24NS2/c1-20(2)15-7-8-16(20)12-14(11-15)13-17(18-5-3-9-21-18)19-6-4-10-22-19/h3-6,9-10,13-16H,7-8,11-12H2,1-2H3/q+1/t15-,16-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	0.450	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Displacement of [3H]N-methyl Scopolamine from human muscarinic M3 receptor expressed in CHO cells by scintillation proximity assay				J Med Chem 52: 5241-52 (2010) Article DOI: 10.1021/jm900736e BindingDB Entry DOI: 10.7270/Q2PK0H54
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (Homo sapiens (Human))	BDBM50345692 ((3-endo)-3-(2,2-Di-2-thienylethenyl)-8,8-dimethyl-...) Show SMILES [#6][N+]1([#6])[#6@@H]-2-[#6]-[#6]-[#6@@H]1-[#6]-[#6](-[#6]-2)\[#6]=[#6](/c1cccs1)-c1cccs1 |r,THB:10:8:1:4.5| Show InChI InChI=1S/C19H24NS2/c1-20(2)15-7-8-16(20)12-14(11-15)13-17(18-5-3-9-21-18)19-6-4-10-22-19/h3-6,9-10,13-16H,7-8,11-12H2,1-2H3/q+1/t15-,16-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	0.730	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Displacement of [3H]N-methyl Scopolamine from human muscarinic M2 receptor expressed in CHO cells by scintillation proximity assay				J Med Chem 52: 5241-52 (2010) Article DOI: 10.1021/jm900736e BindingDB Entry DOI: 10.7270/Q2PK0H54
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2 (Homo sapiens (Human))	BDBM50433561 (CHEMBL2381408) Show SMILES CC(C)(C)C[C@@H]1N[C@H]([C@H](c2cccc(Cl)c2F)[C@]11C(=O)Nc2cc(Cl)ccc12)C(=O)N[C@H]1CC[C@H](O)CC1 |r,wU:8.8,5.4,31.34,wD:17.29,7.31,34.38,(40.88,-57.18,;39.34,-57.18,;38.57,-58.51,;40.11,-58.5,;38.57,-55.84,;37.04,-55.84,;37.52,-54.37,;36.27,-53.47,;35.03,-54.37,;33.51,-54.09,;32.52,-55.27,;31.01,-54.99,;30.49,-53.53,;31.49,-52.36,;30.98,-50.9,;33,-52.64,;34.01,-51.48,;35.49,-55.84,;36.38,-57.1,;37.93,-57.11,;35.48,-58.34,;34.01,-57.86,;32.69,-58.61,;31.36,-57.84,;30.03,-58.6,;31.37,-56.3,;32.71,-55.54,;34.03,-56.32,;36.26,-51.93,;34.93,-51.16,;37.6,-51.15,;37.6,-49.61,;36.26,-48.86,;36.26,-47.31,;37.6,-46.54,;37.6,-45,;38.93,-47.32,;38.93,-48.85,)| Show InChI InChI=1S/C29H34Cl2FN3O3/c1-28(2,3)14-22-29(19-12-7-15(30)13-21(19)34-27(29)38)23(18-5-4-6-20(31)24(18)32)25(35-22)26(37)33-16-8-10-17(36)11-9-16/h4-7,12-13,16-17,22-23,25,35-36H,8-11,14H2,1-3H3,(H,33,37)(H,34,38)/t16-,17-,22-,23-,25+,29+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	0.880	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Wisconsin-Madison Curated by ChEMBL					Assay Description Binding affinity to MDM2 (unknown origin)				Eur J Med Chem 176: 476-491 (2019) Article DOI: 10.1016/j.ejmech.2019.05.046 BindingDB Entry DOI: 10.7270/Q22J6G6H
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50283545 (CHEMBL4162340) Show SMILES N[C@@H]1CCCN(C1)c1nc2cc[nH]c2c(=O)n1Cc1cc(F)ccc1C#N |r| Show InChI InChI=1S/C19H19FN6O/c20-14-4-3-12(9-21)13(8-14)10-26-18(27)17-16(5-6-23-17)24-19(26)25-7-1-2-15(22)11-25/h3-6,8,15,23H,1-2,7,10-11,22H2/t15-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents	Article PubMed	2.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The First Affiliated Hospital of Guangzhou Medical University Curated by ChEMBL					Assay Description Reversible mixed-type inhibition of human DPP4 using Gly-Pro-AMC as substrate preincubated for 10 mins followed by substrate addition measured for 5 ...				Eur J Med Chem 141: 519-529 (2017) Article DOI: 10.1016/j.ejmech.2017.10.029 BindingDB Entry DOI: 10.7270/Q2TB19D0
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50335784 (2-[6-(3-Aminopiperidin-1-yl)-3-methyl-2,4-dioxo-3,...) Show SMILES Cn1c(=O)cc(N2CCC[C@@H](N)C2)n(Cc2cc(F)ccc2C#N)c1=O |r| Show InChI InChI=1S/C18H20FN5O2/c1-22-17(25)8-16(23-6-2-3-15(21)11-23)24(18(22)26)10-13-7-14(19)5-4-12(13)9-20/h4-5,7-8,15H,2-3,6,10-11,21H2,1H3/t15-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	5.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The First Affiliated Hospital of Guangzhou Medical University Curated by ChEMBL					Assay Description Competitive inhibition of human DPP4 using Gly-Pro-AMC as substrate preincubated for 10 mins followed by substrate addition measured for 5 to 10 mins...				Eur J Med Chem 141: 519-529 (2017) Article DOI: 10.1016/j.ejmech.2017.10.029 BindingDB Entry DOI: 10.7270/Q2TB19D0
					More data for this Ligand-Target Pair				3D Structure (crystal)
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50532909 (CHEMBL4527443) Show SMILES COc1cc(Nc2ncc(c(Nc3cccc(NC(=O)C=C)c3)n2)C(F)(F)F)ccc1N1CCN(CC1)C(C)=O Show InChI InChI=1S/C27H28F3N7O3/c1-4-24(39)32-18-6-5-7-19(14-18)33-25-21(27(28,29)30)16-31-26(35-25)34-20-8-9-22(23(15-20)40-3)37-12-10-36(11-13-37)17(2)38/h4-9,14-16H,1,10-13H2,2-3H3,(H,32,39)(H2,31,33,34,35)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	22	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
East China University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of EGFR kinase domain L858R/T790M mutant (unknown origin) by enzyme kinetic assay				J Med Chem 59: 7111-24 (2016) Article DOI: 10.1021/acs.jmedchem.6b00403 BindingDB Entry DOI: 10.7270/Q2QV3R1F
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50532909 (CHEMBL4527443) Show SMILES COc1cc(Nc2ncc(c(Nc3cccc(NC(=O)C=C)c3)n2)C(F)(F)F)ccc1N1CCN(CC1)C(C)=O Show InChI InChI=1S/C27H28F3N7O3/c1-4-24(39)32-18-6-5-7-19(14-18)33-25-21(27(28,29)30)16-31-26(35-25)34-20-8-9-22(23(15-20)40-3)37-12-10-36(11-13-37)17(2)38/h4-9,14-16H,1,10-13H2,2-3H3,(H,32,39)(H2,31,33,34,35)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	22	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
East China University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of EGFR kinase domain L858R/T790M mutant (unknown origin) by enzyme kinetic assay				J Med Chem 59: 7111-24 (2016) Article DOI: 10.1021/acs.jmedchem.6b00403 BindingDB Entry DOI: 10.7270/Q2QV3R1F
					More data for this Ligand-Target Pair
Fatty acid-binding protein, adipocyte (Homo sapiens (Human))	BDBM35919 (flufenamic acid analogue, 45) Show SMILES OC(=O)c1ccccc1Nc1ccccc1-c1ccccc1 Show InChI InChI=1S/C19H15NO2/c21-19(22)16-11-5-7-13-18(16)20-17-12-6-4-10-15(17)14-8-2-1-3-9-14/h1-13,20H,(H,21,22)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem	PDB Article PubMed	109	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Displacement of 1,8-ANS from recombinant human 6His-tagged FABP4 expressed in Escherichia coli BL21 DE3 incubated for 15 mins followed by 1,8-ANS add...				J Med Chem 63: 4090-4106 (2020) Article DOI: 10.1021/acs.jmedchem.9b02107 BindingDB Entry DOI: 10.7270/Q2805648
					More data for this Ligand-Target Pair				3D Structure (crystal)
Fatty acid-binding protein, adipocyte (Homo sapiens (Human))	BDBM50538228 (CHEMBL4642358) Show SMILES OC(=O)c1ccccc1Nc1cccc(Cl)c1-c1ccc2ccccc2c1 Show InChI InChI=1S/C23H16ClNO2/c24-19-9-5-11-21(25-20-10-4-3-8-18(20)23(26)27)22(19)17-13-12-15-6-1-2-7-16(15)14-17/h1-14,25H,(H,26,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	150	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Displacement of 1,8-ANS from recombinant human 6His-tagged FABP4 expressed in Escherichia coli BL21 DE3 incubated for 15 mins followed by 1,8-ANS add...				J Med Chem 63: 4090-4106 (2020) Article DOI: 10.1021/acs.jmedchem.9b02107 BindingDB Entry DOI: 10.7270/Q2805648
					More data for this Ligand-Target Pair
Fatty acid-binding protein, adipocyte (Homo sapiens (Human))	BDBM50538224 (CHEMBL4646688) Show SMILES OC(=O)c1ccccc1Nc1cccc(c1-c1ccccc1)C(F)(F)F Show InChI InChI=1S/C20H14F3NO2/c21-20(22,23)15-10-6-12-17(18(15)13-7-2-1-3-8-13)24-16-11-5-4-9-14(16)19(25)26/h1-12,24H,(H,25,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	164	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Displacement of 1,8-ANS from recombinant human 6His-tagged FABP4 expressed in Escherichia coli BL21 DE3 incubated for 15 mins followed by 1,8-ANS add...				J Med Chem 63: 4090-4106 (2020) Article DOI: 10.1021/acs.jmedchem.9b02107 BindingDB Entry DOI: 10.7270/Q2805648
					More data for this Ligand-Target Pair
Fatty acid-binding protein, adipocyte (Homo sapiens (Human))	BDBM50538225 (CHEMBL4639338) Show SMILES Cc1cccc(Nc2ccccc2C(O)=O)c1-c1ccccc1 Show InChI InChI=1S/C20H17NO2/c1-14-8-7-13-18(19(14)15-9-3-2-4-10-15)21-17-12-6-5-11-16(17)20(22)23/h2-13,21H,1H3,(H,22,23)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	182	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Displacement of 1,8-ANS from recombinant human 6His-tagged FABP4 expressed in Escherichia coli BL21 DE3 incubated for 15 mins followed by 1,8-ANS add...				J Med Chem 63: 4090-4106 (2020) Article DOI: 10.1021/acs.jmedchem.9b02107 BindingDB Entry DOI: 10.7270/Q2805648
					More data for this Ligand-Target Pair
Fatty acid-binding protein, adipocyte (Homo sapiens (Human))	BDBM50212873 (((2'-(5-ETHYL-3,4-DIPHENYL-1H-PYRAZOL-1-YL)-3-BIPH...) Show SMILES CCc1c(c(nn1-c1ccccc1-c1cccc(OCC(O)=O)c1)-c1ccccc1)-c1ccccc1 Show InChI InChI=1S/C31H26N2O3/c1-2-27-30(22-12-5-3-6-13-22)31(23-14-7-4-8-15-23)32-33(27)28-19-10-9-18-26(28)24-16-11-17-25(20-24)36-21-29(34)35/h3-20H,2,21H2,1H3,(H,34,35)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents	PDB Article PubMed	253	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Displacement of 1,8-ANS from recombinant human 6His-tagged FABP4 expressed in Escherichia coli BL21 DE3 incubated for 15 mins followed by 1,8-ANS add...				J Med Chem 63: 4090-4106 (2020) Article DOI: 10.1021/acs.jmedchem.9b02107 BindingDB Entry DOI: 10.7270/Q2805648
					More data for this Ligand-Target Pair				3D Structure (crystal)
Fatty acid-binding protein, adipocyte (Homo sapiens (Human))	BDBM50538223 (CHEMBL4639506) Show SMILES OC(=O)c1ccccc1Nc1cccc(Br)c1-c1ccccc1 Show InChI InChI=1S/C19H14BrNO2/c20-15-10-6-12-17(18(15)13-7-2-1-3-8-13)21-16-11-5-4-9-14(16)19(22)23/h1-12,21H,(H,22,23)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	263	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Displacement of 1,8-ANS from recombinant human 6His-tagged FABP4 expressed in Escherichia coli BL21 DE3 incubated for 15 mins followed by 1,8-ANS add...				J Med Chem 63: 4090-4106 (2020) Article DOI: 10.1021/acs.jmedchem.9b02107 BindingDB Entry DOI: 10.7270/Q2805648
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50532909 (CHEMBL4527443) Show SMILES COc1cc(Nc2ncc(c(Nc3cccc(NC(=O)C=C)c3)n2)C(F)(F)F)ccc1N1CCN(CC1)C(C)=O Show InChI InChI=1S/C27H28F3N7O3/c1-4-24(39)32-18-6-5-7-19(14-18)33-25-21(27(28,29)30)16-31-26(35-25)34-20-8-9-22(23(15-20)40-3)37-12-10-36(11-13-37)17(2)38/h4-9,14-16H,1,10-13H2,2-3H3,(H,32,39)(H2,31,33,34,35)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	303	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
East China University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of wild type EGFR kinase domain (unknown origin) by enzyme kinetic assay				J Med Chem 59: 7111-24 (2016) Article DOI: 10.1021/acs.jmedchem.6b00403 BindingDB Entry DOI: 10.7270/Q2QV3R1F
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50532909 (CHEMBL4527443) Show SMILES COc1cc(Nc2ncc(c(Nc3cccc(NC(=O)C=C)c3)n2)C(F)(F)F)ccc1N1CCN(CC1)C(C)=O Show InChI InChI=1S/C27H28F3N7O3/c1-4-24(39)32-18-6-5-7-19(14-18)33-25-21(27(28,29)30)16-31-26(35-25)34-20-8-9-22(23(15-20)40-3)37-12-10-36(11-13-37)17(2)38/h4-9,14-16H,1,10-13H2,2-3H3,(H,32,39)(H2,31,33,34,35)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	303	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
East China University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of wild type EGFR kinase domain (unknown origin) by enzyme kinetic assay				J Med Chem 59: 7111-24 (2016) Article DOI: 10.1021/acs.jmedchem.6b00403 BindingDB Entry DOI: 10.7270/Q2QV3R1F
					More data for this Ligand-Target Pair
Fatty acid-binding protein, heart (Homo sapiens (Human))	BDBM50538236 (CHEMBL4644782) Show SMILES OC(=O)c1ccccc1Nc1cccc(Cl)c1-c1ccc2occc2c1 Show InChI InChI=1S/C21H14ClNO3/c22-16-5-3-7-18(23-17-6-2-1-4-15(17)21(24)25)20(16)14-8-9-19-13(12-14)10-11-26-19/h1-12,23H,(H,24,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	350	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Displacement of 1,8-ANS from recombinant human 6His-tagged FABP3 expressed in Escherichia coli BL21 DE3 incubated for 15 mins followed by 1,8-ANS add...				J Med Chem 63: 4090-4106 (2020) Article DOI: 10.1021/acs.jmedchem.9b02107 BindingDB Entry DOI: 10.7270/Q2805648
					More data for this Ligand-Target Pair
Fatty acid-binding protein 5 (Homo sapiens (Human))	BDBM50538236 (CHEMBL4644782) Show SMILES OC(=O)c1ccccc1Nc1cccc(Cl)c1-c1ccc2occc2c1 Show InChI InChI=1S/C21H14ClNO3/c22-16-5-3-7-18(23-17-6-2-1-4-15(17)21(24)25)20(16)14-8-9-19-13(12-14)10-11-26-19/h1-12,23H,(H,24,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	430	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Displacement of 1,8-ANS from recombinant human 6His-tagged FABP5 expressed in Escherichia coli BL21 DE3 incubated for 15 mins followed by 1,8-ANS add...				J Med Chem 63: 4090-4106 (2020) Article DOI: 10.1021/acs.jmedchem.9b02107 BindingDB Entry DOI: 10.7270/Q2805648
					More data for this Ligand-Target Pair
Fatty acid-binding protein 5 (Homo sapiens (Human))	BDBM50538232 (CHEMBL4640209) Show SMILES OC(=O)c1ccccc1Nc1cccc(Cl)c1-c1ccc2[nH]ncc2c1 Show InChI InChI=1S/C20H14ClN3O2/c21-15-5-3-7-18(23-17-6-2-1-4-14(17)20(25)26)19(15)12-8-9-16-13(10-12)11-22-24-16/h1-11,23H,(H,22,24)(H,25,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	490	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Displacement of 1,8-ANS from recombinant human 6His-tagged FABP5 expressed in Escherichia coli BL21 DE3 incubated for 15 mins followed by 1,8-ANS add...				J Med Chem 63: 4090-4106 (2020) Article DOI: 10.1021/acs.jmedchem.9b02107 BindingDB Entry DOI: 10.7270/Q2805648
					More data for this Ligand-Target Pair
Fatty acid-binding protein 5 (Homo sapiens (Human))	BDBM50538228 (CHEMBL4642358) Show SMILES OC(=O)c1ccccc1Nc1cccc(Cl)c1-c1ccc2ccccc2c1 Show InChI InChI=1S/C23H16ClNO2/c24-19-9-5-11-21(25-20-10-4-3-8-18(20)23(26)27)22(19)17-13-12-15-6-1-2-7-16(15)14-17/h1-14,25H,(H,26,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Displacement of 1,8-ANS from recombinant human 6His-tagged FABP5 expressed in Escherichia coli BL21 DE3 incubated for 15 mins followed by 1,8-ANS add...				J Med Chem 63: 4090-4106 (2020) Article DOI: 10.1021/acs.jmedchem.9b02107 BindingDB Entry DOI: 10.7270/Q2805648
					More data for this Ligand-Target Pair
Fatty acid-binding protein 5 (Homo sapiens (Human))	BDBM50538233 (CHEMBL4643718) Show SMILES OC(=O)c1ccccc1Nc1cccc(Cl)c1-c1ccc2nonc2c1 Show InChI InChI=1S/C19H12ClN3O3/c20-13-5-3-7-16(21-14-6-2-1-4-12(14)19(24)25)18(13)11-8-9-15-17(10-11)23-26-22-15/h1-10,21H,(H,24,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Displacement of 1,8-ANS from recombinant human 6His-tagged FABP5 expressed in Escherichia coli BL21 DE3 incubated for 15 mins followed by 1,8-ANS add...				J Med Chem 63: 4090-4106 (2020) Article DOI: 10.1021/acs.jmedchem.9b02107 BindingDB Entry DOI: 10.7270/Q2805648
					More data for this Ligand-Target Pair
Fatty acid-binding protein, heart (Homo sapiens (Human))	BDBM50538232 (CHEMBL4640209) Show SMILES OC(=O)c1ccccc1Nc1cccc(Cl)c1-c1ccc2[nH]ncc2c1 Show InChI InChI=1S/C20H14ClN3O2/c21-15-5-3-7-18(23-17-6-2-1-4-14(17)20(25)26)19(15)12-8-9-16-13(10-12)11-22-24-16/h1-11,23H,(H,22,24)(H,25,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	740	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Displacement of 1,8-ANS from recombinant human 6His-tagged FABP3 expressed in Escherichia coli BL21 DE3 incubated for 15 mins followed by 1,8-ANS add...				J Med Chem 63: 4090-4106 (2020) Article DOI: 10.1021/acs.jmedchem.9b02107 BindingDB Entry DOI: 10.7270/Q2805648
					More data for this Ligand-Target Pair
Fatty acid-binding protein 5 (Homo sapiens (Human))	BDBM50538235 (CHEMBL4632369) Show SMILES OC(=O)c1ccccc1Nc1cccc(Cl)c1-c1ccc2OCCc2c1 Show InChI InChI=1S/C21H16ClNO3/c22-16-5-3-7-18(23-17-6-2-1-4-15(17)21(24)25)20(16)14-8-9-19-13(12-14)10-11-26-19/h1-9,12,23H,10-11H2,(H,24,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	820	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Displacement of 1,8-ANS from recombinant human 6His-tagged FABP5 expressed in Escherichia coli BL21 DE3 incubated for 15 mins followed by 1,8-ANS add...				J Med Chem 63: 4090-4106 (2020) Article DOI: 10.1021/acs.jmedchem.9b02107 BindingDB Entry DOI: 10.7270/Q2805648
					More data for this Ligand-Target Pair
Fatty acid-binding protein, adipocyte (Homo sapiens (Human))	BDBM50538226 (CHEMBL4637279) Show SMILES CN(C)c1ccc(Nc2ccccc2C(O)=O)c(-c2ccccc2)c1Cl Show InChI InChI=1S/C21H19ClN2O2/c1-24(2)18-13-12-17(19(20(18)22)14-8-4-3-5-9-14)23-16-11-7-6-10-15(16)21(25)26/h3-13,23H,1-2H3,(H,25,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	826	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Displacement of 1,8-ANS from recombinant human 6His-tagged FABP4 expressed in Escherichia coli BL21 DE3 incubated for 15 mins followed by 1,8-ANS add...				J Med Chem 63: 4090-4106 (2020) Article DOI: 10.1021/acs.jmedchem.9b02107 BindingDB Entry DOI: 10.7270/Q2805648
					More data for this Ligand-Target Pair
Fatty acid-binding protein, heart (Homo sapiens (Human))	BDBM50538234 (CHEMBL4644705) Show SMILES OC(=O)c1ccccc1Nc1cccc(Cl)c1-c1ccc2OCOc2c1 Show InChI InChI=1S/C20H14ClNO4/c21-14-5-3-7-16(22-15-6-2-1-4-13(15)20(23)24)19(14)12-8-9-17-18(10-12)26-11-25-17/h1-10,22H,11H2,(H,23,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	860	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Displacement of 1,8-ANS from recombinant human 6His-tagged FABP3 expressed in Escherichia coli BL21 DE3 incubated for 15 mins followed by 1,8-ANS add...				J Med Chem 63: 4090-4106 (2020) Article DOI: 10.1021/acs.jmedchem.9b02107 BindingDB Entry DOI: 10.7270/Q2805648
					More data for this Ligand-Target Pair
Fatty acid-binding protein 5 (Homo sapiens (Human))	BDBM50538229 (CHEMBL4632412) Show SMILES OC(=O)c1ccccc1Nc1cccc(Cl)c1-c1ccccc1 Show InChI InChI=1S/C19H14ClNO2/c20-15-10-6-12-17(18(15)13-7-2-1-3-8-13)21-16-11-5-4-9-14(16)19(22)23/h1-12,21H,(H,22,23)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	880	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Displacement of 1,8-ANS from recombinant human 6His-tagged FABP5 expressed in Escherichia coli BL21 DE3 incubated for 15 mins followed by 1,8-ANS add...				J Med Chem 63: 4090-4106 (2020) Article DOI: 10.1021/acs.jmedchem.9b02107 BindingDB Entry DOI: 10.7270/Q2805648
					More data for this Ligand-Target Pair
Fatty acid-binding protein, heart (Homo sapiens (Human))	BDBM50538229 (CHEMBL4632412) Show SMILES OC(=O)c1ccccc1Nc1cccc(Cl)c1-c1ccccc1 Show InChI InChI=1S/C19H14ClNO2/c20-15-10-6-12-17(18(15)13-7-2-1-3-8-13)21-16-11-5-4-9-14(16)19(22)23/h1-12,21H,(H,22,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Displacement of 1,8-ANS from recombinant human 6His-tagged FABP3 expressed in Escherichia coli BL21 DE3 incubated for 15 mins followed by 1,8-ANS add...				J Med Chem 63: 4090-4106 (2020) Article DOI: 10.1021/acs.jmedchem.9b02107 BindingDB Entry DOI: 10.7270/Q2805648
					More data for this Ligand-Target Pair
Fatty acid-binding protein 5 (Homo sapiens (Human))	BDBM50538234 (CHEMBL4644705) Show SMILES OC(=O)c1ccccc1Nc1cccc(Cl)c1-c1ccc2OCOc2c1 Show InChI InChI=1S/C20H14ClNO4/c21-14-5-3-7-16(22-15-6-2-1-4-13(15)20(23)24)19(14)12-8-9-17-18(10-12)26-11-25-17/h1-10,22H,11H2,(H,23,24)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.07E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Displacement of 1,8-ANS from recombinant human 6His-tagged FABP5 expressed in Escherichia coli BL21 DE3 incubated for 15 mins followed by 1,8-ANS add...				J Med Chem 63: 4090-4106 (2020) Article DOI: 10.1021/acs.jmedchem.9b02107 BindingDB Entry DOI: 10.7270/Q2805648
					More data for this Ligand-Target Pair
Fatty acid-binding protein 5 (Homo sapiens (Human))	BDBM50538230 (CHEMBL4633440) Show SMILES COc1cccc(Nc2ccccc2C(O)=O)c1-c1ccccc1 Show InChI InChI=1S/C20H17NO3/c1-24-18-13-7-12-17(19(18)14-8-3-2-4-9-14)21-16-11-6-5-10-15(16)20(22)23/h2-13,21H,1H3,(H,22,23)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Displacement of 1,8-ANS from recombinant human 6His-tagged FABP5 expressed in Escherichia coli BL21 DE3 incubated for 15 mins followed by 1,8-ANS add...				J Med Chem 63: 4090-4106 (2020) Article DOI: 10.1021/acs.jmedchem.9b02107 BindingDB Entry DOI: 10.7270/Q2805648
					More data for this Ligand-Target Pair
Fatty acid-binding protein, heart (Homo sapiens (Human))	BDBM50538235 (CHEMBL4632369) Show SMILES OC(=O)c1ccccc1Nc1cccc(Cl)c1-c1ccc2OCCc2c1 Show InChI InChI=1S/C21H16ClNO3/c22-16-5-3-7-18(23-17-6-2-1-4-15(17)21(24)25)20(16)14-8-9-19-13(12-14)10-11-26-19/h1-9,12,23H,10-11H2,(H,24,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Displacement of 1,8-ANS from recombinant human 6His-tagged FABP3 expressed in Escherichia coli BL21 DE3 incubated for 15 mins followed by 1,8-ANS add...				J Med Chem 63: 4090-4106 (2020) Article DOI: 10.1021/acs.jmedchem.9b02107 BindingDB Entry DOI: 10.7270/Q2805648
					More data for this Ligand-Target Pair
Fatty acid-binding protein, heart (Homo sapiens (Human))	BDBM50538228 (CHEMBL4642358) Show SMILES OC(=O)c1ccccc1Nc1cccc(Cl)c1-c1ccc2ccccc2c1 Show InChI InChI=1S/C23H16ClNO2/c24-19-9-5-11-21(25-20-10-4-3-8-18(20)23(26)27)22(19)17-13-12-15-6-1-2-7-16(15)14-17/h1-14,25H,(H,26,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.42E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Displacement of 1,8-ANS from recombinant human 6His-tagged FABP3 expressed in Escherichia coli BL21 DE3 incubated for 15 mins followed by 1,8-ANS add...				J Med Chem 63: 4090-4106 (2020) Article DOI: 10.1021/acs.jmedchem.9b02107 BindingDB Entry DOI: 10.7270/Q2805648
					More data for this Ligand-Target Pair
Fatty acid-binding protein, adipocyte (Homo sapiens (Human))	BDBM35913 (flufenamic acid analogue, 39) Show SMILES OC(=O)c1ccccc1Nc1ccccc1Oc1ccccc1 Show InChI InChI=1S/C19H15NO3/c21-19(22)15-10-4-5-11-16(15)20-17-12-6-7-13-18(17)23-14-8-2-1-3-9-14/h1-13,20H,(H,21,22)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.48E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Displacement of 1,8-ANS from recombinant human 6His-tagged FABP4 expressed in Escherichia coli BL21 DE3 incubated for 15 mins followed by 1,8-ANS add...				J Med Chem 63: 4090-4106 (2020) Article DOI: 10.1021/acs.jmedchem.9b02107 BindingDB Entry DOI: 10.7270/Q2805648
					More data for this Ligand-Target Pair
Fatty acid-binding protein, heart (Homo sapiens (Human))	BDBM50538233 (CHEMBL4643718) Show SMILES OC(=O)c1ccccc1Nc1cccc(Cl)c1-c1ccc2nonc2c1 Show InChI InChI=1S/C19H12ClN3O3/c20-13-5-3-7-16(21-14-6-2-1-4-12(14)19(24)25)18(13)11-8-9-15-17(10-11)23-26-22-15/h1-10,21H,(H,24,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Displacement of 1,8-ANS from recombinant human 6His-tagged FABP3 expressed in Escherichia coli BL21 DE3 incubated for 15 mins followed by 1,8-ANS add...				J Med Chem 63: 4090-4106 (2020) Article DOI: 10.1021/acs.jmedchem.9b02107 BindingDB Entry DOI: 10.7270/Q2805648
					More data for this Ligand-Target Pair
Fatty acid-binding protein, heart (Homo sapiens (Human))	BDBM50538230 (CHEMBL4633440) Show SMILES COc1cccc(Nc2ccccc2C(O)=O)c1-c1ccccc1 Show InChI InChI=1S/C20H17NO3/c1-24-18-13-7-12-17(19(18)14-8-3-2-4-9-14)21-16-11-6-5-10-15(16)20(22)23/h2-13,21H,1H3,(H,22,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.51E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Displacement of 1,8-ANS from recombinant human 6His-tagged FABP3 expressed in Escherichia coli BL21 DE3 incubated for 15 mins followed by 1,8-ANS add...				J Med Chem 63: 4090-4106 (2020) Article DOI: 10.1021/acs.jmedchem.9b02107 BindingDB Entry DOI: 10.7270/Q2805648
					More data for this Ligand-Target Pair
Fatty acid-binding protein, adipocyte (Homo sapiens (Human))	BDBM50538227 (CHEMBL4635966) Show SMILES CCNc1ccc(Nc2ccccc2C(O)=O)c(c1Cl)-c1ccccc1 Show InChI InChI=1S/C21H19ClN2O2/c1-2-23-18-13-12-17(19(20(18)22)14-8-4-3-5-9-14)24-16-11-7-6-10-15(16)21(25)26/h3-13,23-24H,2H2,1H3,(H,25,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.53E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Displacement of 1,8-ANS from recombinant human 6His-tagged FABP4 expressed in Escherichia coli BL21 DE3 incubated for 15 mins followed by 1,8-ANS add...				J Med Chem 63: 4090-4106 (2020) Article DOI: 10.1021/acs.jmedchem.9b02107 BindingDB Entry DOI: 10.7270/Q2805648
					More data for this Ligand-Target Pair
Fatty acid-binding protein, adipocyte (Homo sapiens (Human))	BDBM50538222 (CHEMBL4643044) Show SMILES OC(=O)c1ccccc1Nc1ccccc1Nc1ccccc1 Show InChI InChI=1S/C19H16N2O2/c22-19(23)15-10-4-5-11-16(15)21-18-13-7-6-12-17(18)20-14-8-2-1-3-9-14/h1-13,20-21H,(H,22,23)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.74E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Displacement of 1,8-ANS from recombinant human 6His-tagged FABP4 expressed in Escherichia coli BL21 DE3 incubated for 15 mins followed by 1,8-ANS add...				J Med Chem 63: 4090-4106 (2020) Article DOI: 10.1021/acs.jmedchem.9b02107 BindingDB Entry DOI: 10.7270/Q2805648
					More data for this Ligand-Target Pair
Fatty acid-binding protein, heart (Homo sapiens (Human))	BDBM50212873 (((2'-(5-ETHYL-3,4-DIPHENYL-1H-PYRAZOL-1-YL)-3-BIPH...) Show SMILES CCc1c(c(nn1-c1ccccc1-c1cccc(OCC(O)=O)c1)-c1ccccc1)-c1ccccc1 Show InChI InChI=1S/C31H26N2O3/c1-2-27-30(22-12-5-3-6-13-22)31(23-14-7-4-8-15-23)32-33(27)28-19-10-9-18-26(28)24-16-11-17-25(20-24)36-21-29(34)35/h3-20H,2,21H2,1H3,(H,34,35)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents	Article PubMed	7.45E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Displacement of 1,8-ANS from recombinant human 6His-tagged FABP3 expressed in Escherichia coli BL21 DE3 incubated for 15 mins followed by 1,8-ANS add...				J Med Chem 63: 4090-4106 (2020) Article DOI: 10.1021/acs.jmedchem.9b02107 BindingDB Entry DOI: 10.7270/Q2805648
					More data for this Ligand-Target Pair
Fatty acid-binding protein 5 (Homo sapiens (Human))	BDBM35919 (flufenamic acid analogue, 45) Show SMILES OC(=O)c1ccccc1Nc1ccccc1-c1ccccc1 Show InChI InChI=1S/C19H15NO2/c21-19(22)16-11-5-7-13-18(16)20-17-12-6-4-10-15(17)14-8-2-1-3-9-14/h1-13,20H,(H,21,22)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem	Article PubMed	8.23E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Displacement of 1,8-ANS from recombinant human 6His-tagged FABP5 expressed in Escherichia coli BL21 DE3 incubated for 15 mins followed by 1,8-ANS add...				J Med Chem 63: 4090-4106 (2020) Article DOI: 10.1021/acs.jmedchem.9b02107 BindingDB Entry DOI: 10.7270/Q2805648
					More data for this Ligand-Target Pair
Fatty acid-binding protein 5 (Homo sapiens (Human))	BDBM50212873 (((2'-(5-ETHYL-3,4-DIPHENYL-1H-PYRAZOL-1-YL)-3-BIPH...) Show SMILES CCc1c(c(nn1-c1ccccc1-c1cccc(OCC(O)=O)c1)-c1ccccc1)-c1ccccc1 Show InChI InChI=1S/C31H26N2O3/c1-2-27-30(22-12-5-3-6-13-22)31(23-14-7-4-8-15-23)32-33(27)28-19-10-9-18-26(28)24-16-11-17-25(20-24)36-21-29(34)35/h3-20H,2,21H2,1H3,(H,34,35)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents	PDB Article PubMed	9.24E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Displacement of 1,8-ANS from recombinant human 6His-tagged FABP5 expressed in Escherichia coli BL21 DE3 incubated for 15 mins followed by 1,8-ANS add...				J Med Chem 63: 4090-4106 (2020) Article DOI: 10.1021/acs.jmedchem.9b02107 BindingDB Entry DOI: 10.7270/Q2805648
					More data for this Ligand-Target Pair				3D Structure (crystal)
Fatty acid-binding protein, heart (Homo sapiens (Human))	BDBM50538237 (CHEMBL4638396) Show SMILES CNc1ccc(Nc2ccccc2C(O)=O)c(c1Cl)-c1ccc2OCCc2c1 Show InChI InChI=1S/C22H19ClN2O3/c1-24-18-8-7-17(25-16-5-3-2-4-15(16)22(26)27)20(21(18)23)14-6-9-19-13(12-14)10-11-28-19/h2-9,12,24-25H,10-11H2,1H3,(H,26,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	9.62E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Displacement of 1,8-ANS from recombinant human 6His-tagged FABP3 expressed in Escherichia coli BL21 DE3 incubated for 15 mins followed by 1,8-ANS add...				J Med Chem 63: 4090-4106 (2020) Article DOI: 10.1021/acs.jmedchem.9b02107 BindingDB Entry DOI: 10.7270/Q2805648
					More data for this Ligand-Target Pair
Fatty acid-binding protein, heart (Homo sapiens (Human))	BDBM35919 (flufenamic acid analogue, 45) Show SMILES OC(=O)c1ccccc1Nc1ccccc1-c1ccccc1 Show InChI InChI=1S/C19H15NO2/c21-19(22)16-11-5-7-13-18(16)20-17-12-6-4-10-15(17)14-8-2-1-3-9-14/h1-13,20H,(H,21,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem	Article PubMed	1.28E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Displacement of 1,8-ANS from recombinant human 6His-tagged FABP3 expressed in Escherichia coli BL21 DE3 incubated for 15 mins followed by 1,8-ANS add...				J Med Chem 63: 4090-4106 (2020) Article DOI: 10.1021/acs.jmedchem.9b02107 BindingDB Entry DOI: 10.7270/Q2805648
					More data for this Ligand-Target Pair
Fatty acid-binding protein, heart (Homo sapiens (Human))	BDBM50538231 (CHEMBL4644810) Show SMILES CNc1ccc(Nc2ccccc2C(O)=O)c(c1Cl)-c1ccccc1 Show InChI InChI=1S/C20H17ClN2O2/c1-22-17-12-11-16(18(19(17)21)13-7-3-2-4-8-13)23-15-10-6-5-9-14(15)20(24)25/h2-12,22-23H,1H3,(H,24,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	1.43E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Displacement of 1,8-ANS from recombinant human 6His-tagged FABP3 expressed in Escherichia coli BL21 DE3 incubated for 15 mins followed by 1,8-ANS add...				J Med Chem 63: 4090-4106 (2020) Article DOI: 10.1021/acs.jmedchem.9b02107 BindingDB Entry DOI: 10.7270/Q2805648
					More data for this Ligand-Target Pair
Fatty acid-binding protein 5 (Homo sapiens (Human))	BDBM50538231 (CHEMBL4644810) Show SMILES CNc1ccc(Nc2ccccc2C(O)=O)c(c1Cl)-c1ccccc1 Show InChI InChI=1S/C20H17ClN2O2/c1-22-17-12-11-16(18(19(17)21)13-7-3-2-4-8-13)23-15-10-6-5-9-14(15)20(24)25/h2-12,22-23H,1H3,(H,24,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	1.78E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Displacement of 1,8-ANS from recombinant human 6His-tagged FABP5 expressed in Escherichia coli BL21 DE3 incubated for 15 mins followed by 1,8-ANS add...				J Med Chem 63: 4090-4106 (2020) Article DOI: 10.1021/acs.jmedchem.9b02107 BindingDB Entry DOI: 10.7270/Q2805648
					More data for this Ligand-Target Pair

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