Compile Data Set for Download or QSAR

Found 478 hits with Last Name = 'martin' and Initial = 'wh'   

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 2D6 (Homo sapiens (Human))	BDBM249466 (US10072016, Compound 65 | US10407433, Compound 65 ...) Show SMILES Fc1cccc(C2CCN(CC2)C(=O)c2nnc3ccc(cn23)C#N)c1C(F)(F)F Show InChI InChI=1S/C20H15F4N5O/c21-15-3-1-2-14(17(15)20(22,23)24)13-6-8-28(9-7-13)19(30)18-27-26-16-5-4-12(10-25)11-29(16)18/h1-5,11,13H,6-9H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	720	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Albany College of Pharmacy and Health Sciences Curated by ChEMBL					Assay Description Time dependent inhibition of CYP2D6 in human liver microsomes assessed as equilibrium inhibition binding constant in presence of NADPH by LC-MS/MS an...				J Med Chem 62: 5470-5500 (2019) Article DOI: 10.1021/acs.jmedchem.9b00352 BindingDB Entry DOI: 10.7270/Q290272Z
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50501900 (CHEMBL4463039) Show SMILES FC(F)(F)c1ccccc1C1CCN(CC1)C(=O)c1nnc2ccc(cn12)C#N Show InChI InChI=1S/C20H16F3N5O/c21-20(22,23)16-4-2-1-3-15(16)14-7-9-27(10-8-14)19(29)18-26-25-17-6-5-13(11-24)12-28(17)18/h1-6,12,14H,7-10H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.13E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Albany College of Pharmacy and Health Sciences Curated by ChEMBL					Assay Description Time dependent inhibition of CYP2D6 in human liver microsomes assessed as equilibrium inhibition binding constant in presence of NADPH by LC-MS/MS an...				J Med Chem 62: 5470-5500 (2019) Article DOI: 10.1021/acs.jmedchem.9b00352 BindingDB Entry DOI: 10.7270/Q290272Z
					More data for this Ligand-Target Pair
Retinol-binding protein 4 (Homo sapiens (Human))	BDBM50026260 (CHEMBL3359024) Show SMILES [H][C@@]12C[C@@H](C[C@]1([H])CN(C2)C(=O)Nc1cnncc1C(O)=O)c1ccccc1C(F)(F)F |r| Show InChI InChI=1S/C20H19F3N4O3/c21-20(22,23)16-4-2-1-3-14(16)11-5-12-9-27(10-13(12)6-11)19(30)26-17-8-25-24-7-15(17)18(28)29/h1-4,7-8,11-13H,5-6,9-10H2,(H,28,29)(H,24,26,30)/t11-,12-,13+	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	0.121	n/a	n/a	n/a	n/a	n/a	n/a
Albany Molecular Research Curated by ChEMBL					Assay Description Antagonist activity at maltose binding protein-tagged RBP4 (unknown origin) expressed in Escherichia coli assessed as inhibition of retinol-induced p...				J Med Chem 57: 7731-57 (2014) Article DOI: 10.1021/jm5010013 BindingDB Entry DOI: 10.7270/Q2FB54JT
					More data for this Ligand-Target Pair
Retinol-binding protein 4 (Homo sapiens (Human))	BDBM50019040 (CHEMBL1230001) Show SMILES OC(=O)c1ccccc1NC(=O)N1CCC(CC1)c1ccccc1C(F)(F)F Show InChI InChI=1S/C20H19F3N2O3/c21-20(22,23)16-7-3-1-5-14(16)13-9-11-25(12-10-13)19(28)24-17-8-4-2-6-15(17)18(26)27/h1-8,13H,9-12H2,(H,24,28)(H,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	0.155	n/a	n/a	n/a	n/a	n/a	n/a
Albany Molecular Research Curated by ChEMBL					Assay Description Antagonist activity at maltose binding protein-tagged RBP4 (unknown origin) expressed in Escherichia coli assessed as inhibition of retinol-induced p...				J Med Chem 57: 7731-57 (2014) Article DOI: 10.1021/jm5010013 BindingDB Entry DOI: 10.7270/Q2FB54JT
					More data for this Ligand-Target Pair				3D Structure (crystal)
Retinol-binding protein 4 (Homo sapiens (Human))	BDBM50026258 (CHEMBL3359022) Show SMILES [H][C@@]12C[C@@H](C[C@]1([H])CN(C2)C(=O)Nc1ccncc1C(O)=O)c1ccccc1C(F)(F)F |r| Show InChI InChI=1S/C21H20F3N3O3/c22-21(23,24)17-4-2-1-3-15(17)12-7-13-10-27(11-14(13)8-12)20(30)26-18-5-6-25-9-16(18)19(28)29/h1-6,9,12-14H,7-8,10-11H2,(H,28,29)(H,25,26,30)/t12-,13-,14+	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	0.179	n/a	n/a	n/a	n/a	n/a	n/a
Albany Molecular Research Curated by ChEMBL					Assay Description Antagonist activity at maltose binding protein-tagged RBP4 (unknown origin) expressed in Escherichia coli assessed as inhibition of retinol-induced p...				J Med Chem 57: 7731-57 (2014) Article DOI: 10.1021/jm5010013 BindingDB Entry DOI: 10.7270/Q2FB54JT
					More data for this Ligand-Target Pair
Retinol-binding protein 4 (Homo sapiens (Human))	BDBM50026259 (CHEMBL3359023) Show SMILES [H][C@@]12C[C@@H](C[C@]1([H])CN(C2)C(=O)Nc1cc(C)ncc1C(O)=O)c1ccccc1C(F)(F)F |r| Show InChI InChI=1S/C22H22F3N3O3/c1-12-6-19(17(9-26-12)20(29)30)27-21(31)28-10-14-7-13(8-15(14)11-28)16-4-2-3-5-18(16)22(23,24)25/h2-6,9,13-15H,7-8,10-11H2,1H3,(H,29,30)(H,26,27,31)/t13-,14-,15+	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	0.235	n/a	n/a	n/a	n/a	n/a	n/a
Albany Molecular Research Curated by ChEMBL					Assay Description Antagonist activity at maltose binding protein-tagged RBP4 (unknown origin) expressed in Escherichia coli assessed as inhibition of retinol-induced p...				J Med Chem 57: 7731-57 (2014) Article DOI: 10.1021/jm5010013 BindingDB Entry DOI: 10.7270/Q2FB54JT
					More data for this Ligand-Target Pair
Retinol-binding protein 4 (Homo sapiens (Human))	BDBM50026255 (CHEMBL3359017) Show SMILES [H][C@@]12C[C@@H](C[C@]1([H])CN(C2)C(=O)Nc1ccc(F)cc1C(O)=O)c1ccccc1C(F)(F)F |r| Show InChI InChI=1S/C22H20F4N2O3/c23-15-5-6-19(17(9-15)20(29)30)27-21(31)28-10-13-7-12(8-14(13)11-28)16-3-1-2-4-18(16)22(24,25)26/h1-6,9,12-14H,7-8,10-11H2,(H,27,31)(H,29,30)/t12-,13-,14+	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	0.285	n/a	n/a	n/a	n/a	n/a	n/a
Albany Molecular Research Curated by ChEMBL					Assay Description Antagonist activity at maltose binding protein-tagged RBP4 (unknown origin) expressed in Escherichia coli assessed as inhibition of retinol-induced p...				J Med Chem 57: 7731-57 (2014) Article DOI: 10.1021/jm5010013 BindingDB Entry DOI: 10.7270/Q2FB54JT
					More data for this Ligand-Target Pair
Retinol-binding protein 4 (Homo sapiens (Human))	BDBM50026253 (CHEMBL3359014) Show SMILES [H][C@@]12C[C@@H](C[C@]1([H])CN(C2)C(=O)Nc1ccccc1C(O)=O)c1ccccc1C(F)(F)F |r| Show InChI InChI=1S/C22H21F3N2O3/c23-22(24,25)18-7-3-1-5-16(18)13-9-14-11-27(12-15(14)10-13)21(30)26-19-8-4-2-6-17(19)20(28)29/h1-8,13-15H,9-12H2,(H,26,30)(H,28,29)/t13-,14-,15+	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	0.294	n/a	n/a	n/a	n/a	n/a	n/a
Albany Molecular Research Curated by ChEMBL					Assay Description Antagonist activity at maltose binding protein-tagged RBP4 (unknown origin) expressed in Escherichia coli assessed as inhibition of retinol-induced p...				J Med Chem 57: 7731-57 (2014) Article DOI: 10.1021/jm5010013 BindingDB Entry DOI: 10.7270/Q2FB54JT
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50285792 (4-Oxo-piperidine-1-carboxylic acid {(S)-1-[(R)-1-(...) Show SMILES CSC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)N1CCC(=O)CC1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CC(C)C Show InChI InChI=1S/C33H52N4O6S/c1-22(2)18-29(39)30(40)26(19-23-10-6-4-7-11-23)34-32(42)28(21-44-3)35-31(41)27(20-24-12-8-5-9-13-24)36-33(43)37-16-14-25(38)15-17-37/h5,8-9,12-13,22-23,26-30,39-40H,4,6-7,10-11,14-21H2,1-3H3,(H,34,42)(H,35,41)(H,36,43)/t26-,27-,28-,29-,30+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition against recombinant human renin (rHR)				Bioorg Med Chem Lett 5: 2623-2626 (1995) Article DOI: 10.1016/0960-894X(95)00456-4 BindingDB Entry DOI: 10.7270/Q2C24WDC
					More data for this Ligand-Target Pair
Retinol-binding protein 4 (Homo sapiens (Human))	BDBM50026256 (CHEMBL3359019) Show SMILES [H][C@@]12C[C@@H](C[C@]1([H])CN(C2)C(=O)Nc1ccc(Cl)cc1C(O)=O)c1ccccc1C(F)(F)F |r| Show InChI InChI=1S/C22H20ClF3N2O3/c23-15-5-6-19(17(9-15)20(29)30)27-21(31)28-10-13-7-12(8-14(13)11-28)16-3-1-2-4-18(16)22(24,25)26/h1-6,9,12-14H,7-8,10-11H2,(H,27,31)(H,29,30)/t12-,13-,14+	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	0.340	n/a	n/a	n/a	n/a	n/a	n/a
Albany Molecular Research Curated by ChEMBL					Assay Description Antagonist activity at maltose binding protein-tagged RBP4 (unknown origin) expressed in Escherichia coli assessed as inhibition of retinol-induced p...				J Med Chem 57: 7731-57 (2014) Article DOI: 10.1021/jm5010013 BindingDB Entry DOI: 10.7270/Q2FB54JT
					More data for this Ligand-Target Pair
Retinol-binding protein 4 (Homo sapiens (Human))	BDBM50026254 (CHEMBL3359015) Show SMILES [H][C@@]12CN(C[C@]1([H])C=C(C2)c1ccccc1C(F)(F)F)C(=O)Nc1ccccc1C(O)=O |r,c:8| Show InChI InChI=1S/C22H19F3N2O3/c23-22(24,25)18-7-3-1-5-16(18)13-9-14-11-27(12-15(14)10-13)21(30)26-19-8-4-2-6-17(19)20(28)29/h1-9,14-15H,10-12H2,(H,26,30)(H,28,29)/t14-,15+/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	0.481	n/a	n/a	n/a	n/a	n/a	n/a
Albany Molecular Research Curated by ChEMBL					Assay Description Antagonist activity at maltose binding protein-tagged RBP4 (unknown origin) expressed in Escherichia coli assessed as inhibition of retinol-induced p...				J Med Chem 57: 7731-57 (2014) Article DOI: 10.1021/jm5010013 BindingDB Entry DOI: 10.7270/Q2FB54JT
					More data for this Ligand-Target Pair
Retinol-binding protein 4 (Homo sapiens (Human))	BDBM50026251 (CHEMBL3359005) Show SMILES CN(CCOc1ccccc1C(C)(C)C)C(=O)Nc1ccccc1C(O)=O Show InChI InChI=1S/C21H26N2O4/c1-21(2,3)16-10-6-8-12-18(16)27-14-13-23(4)20(26)22-17-11-7-5-9-15(17)19(24)25/h5-12H,13-14H2,1-4H3,(H,22,26)(H,24,25)	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	0.554	n/a	n/a	n/a	n/a	n/a	n/a
Albany Molecular Research Curated by ChEMBL					Assay Description Antagonist activity at maltose binding protein-tagged RBP4 (unknown origin) expressed in Escherichia coli assessed as inhibition of retinol-induced p...				J Med Chem 57: 7731-57 (2014) Article DOI: 10.1021/jm5010013 BindingDB Entry DOI: 10.7270/Q2FB54JT
					More data for this Ligand-Target Pair
Retinol-binding protein 4 (Homo sapiens (Human))	BDBM50026244 (CHEMBL3359028) Show SMILES [H][C@@]12C[C@@H](C[C@]1([H])CN(C2)C(=O)N[C@H](C(O)=O)c1ccccc1)c1ccccc1C(F)(F)F |r| Show InChI InChI=1S/C23H23F3N2O3/c24-23(25,26)19-9-5-4-8-18(19)15-10-16-12-28(13-17(16)11-15)22(31)27-20(21(29)30)14-6-2-1-3-7-14/h1-9,15-17,20H,10-13H2,(H,27,31)(H,29,30)/t15-,16-,17+,20-/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	0.829	n/a	n/a	n/a	n/a	n/a	n/a
Albany Molecular Research Curated by ChEMBL					Assay Description Antagonist activity at maltose binding protein-tagged RBP4 (unknown origin) expressed in Escherichia coli assessed as inhibition of retinol-induced p...				J Med Chem 57: 7731-57 (2014) Article DOI: 10.1021/jm5010013 BindingDB Entry DOI: 10.7270/Q2FB54JT
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Homo sapiens (Human))	BDBM16315 (6-[(5-chloro-3-methyl-1-benzofuran-2-)sulfonyl]-2,...) Show SMILES Cc1c(oc2ccc(Cl)cc12)S(=O)(=O)c1ccc(=O)[nH]n1 Show InChI InChI=1S/C13H9ClN2O4S/c1-7-9-6-8(14)2-3-10(9)20-13(7)21(18,19)12-5-4-11(17)15-16-12/h2-6H,1H3,(H,15,17)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	0.840	n/a	n/a	n/a	n/a	7.0	24
Pfizer					Assay Description The activity of the enzyme was determined spectrophotometrically by monitoring the change in absorbance at 340 nm, which is due to the disappearance ...				J Med Chem 46: 2283-6 (2003) Article DOI: 10.1021/jm034065z BindingDB Entry DOI: 10.7270/Q2NV9GGM
					More data for this Ligand-Target Pair				3D Structure (crystal)
Aldo-keto reductase family 1 member B1 (Homo sapiens (Human))	BDBM16315 (6-[(5-chloro-3-methyl-1-benzofuran-2-)sulfonyl]-2,...) Show SMILES Cc1c(oc2ccc(Cl)cc12)S(=O)(=O)c1ccc(=O)[nH]n1 Show InChI InChI=1S/C13H9ClN2O4S/c1-7-9-6-8(14)2-3-10(9)20-13(7)21(18,19)12-5-4-11(17)15-16-12/h2-6H,1H3,(H,15,17)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer					Assay Description The activity of the enzyme was determined spectrophotometrically by monitoring the change in absorbance at 340 nm, which is due to the disappearance ...				J Med Chem 48: 6326-39 (2005) Article DOI: 10.1021/jm050462t BindingDB Entry DOI: 10.7270/Q2RN363Z
					More data for this Ligand-Target Pair				3D Structure (crystal)
Retinol-binding protein 4 (Homo sapiens (Human))	BDBM50026257 (CHEMBL3359020) Show SMILES [H][C@@]12C[C@@H](C[C@]1([H])CN(C2)C(=O)Nc1ccc(cc1C(O)=O)S(C)(=O)=O)c1ccccc1C(F)(F)F |r| Show InChI InChI=1S/C23H23F3N2O5S/c1-34(32,33)16-6-7-20(18(10-16)21(29)30)27-22(31)28-11-14-8-13(9-15(14)12-28)17-4-2-3-5-19(17)23(24,25)26/h2-7,10,13-15H,8-9,11-12H2,1H3,(H,27,31)(H,29,30)/t13-,14-,15+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
Albany Molecular Research Curated by ChEMBL					Assay Description Antagonist activity at maltose binding protein-tagged RBP4 (unknown origin) expressed in Escherichia coli assessed as inhibition of retinol-induced p...				J Med Chem 57: 7731-57 (2014) Article DOI: 10.1021/jm5010013 BindingDB Entry DOI: 10.7270/Q2FB54JT
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM15459 (4-[1-methyl-2-(piperidin-4-yl)-4-[3-(trifluorometh...) Show SMILES C[C@H](Nc1cc(ccn1)-c1c(nc(C2CCNCC2)n1C)-c1cccc(c1)C(F)(F)F)c1ccccc1 |r| Show InChI InChI=1S/C29H30F3N5/c1-19(20-7-4-3-5-8-20)35-25-18-23(13-16-34-25)27-26(22-9-6-10-24(17-22)29(30,31)32)36-28(37(27)2)21-11-14-33-15-12-21/h3-10,13,16-19,21,33H,11-12,14-15H2,1-2H3,(H,34,35)/t19-/m0/s1	PDB MMDB NCI pathway 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
Pfizer					Assay Description The IC50s were determined by incubating each test compound with activated p38-alpha in a 96-well plate that had been pre-treated with ATF-2-GST to al...				Bioorg Med Chem Lett 14: 919-23 (2004) Article DOI: 10.1016/j.bmcl.2003.12.023 BindingDB Entry DOI: 10.7270/Q28050V6
					More data for this Ligand-Target Pair				3D Structure (docked)
Retinol-binding protein 4 (Homo sapiens (Human))	BDBM50501925 (CHEMBL4472596) Show SMILES [H][C@@]12C[C@@H](C[C@]1([H])CN(C2)C(=O)c1nnc2ccc(OCC)cn12)c1ccccc1C(F)(F)F |r| Show InChI InChI=1S/C23H23F3N4O2/c1-2-32-17-7-8-20-27-28-21(30(20)13-17)22(31)29-11-15-9-14(10-16(15)12-29)18-5-3-4-6-19(18)23(24,25)26/h3-8,13-16H,2,9-12H2,1H3/t14-,15-,16+	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
Albany College of Pharmacy and Health Sciences Curated by ChEMBL					Assay Description Competitive displacement of 3[H]retinol from biotinylated RBP4 (unknown origin) by surface plasmon resonance analysis				J Med Chem 62: 5470-5500 (2019) Article DOI: 10.1021/acs.jmedchem.9b00352 BindingDB Entry DOI: 10.7270/Q290272Z
					More data for this Ligand-Target Pair
Retinol-binding protein 4 (Homo sapiens (Human))	BDBM50501921 (CHEMBL4462481) Show SMILES Cc1ccc2nc(cn2n1)C(=O)N1CCC(CC1)c1ccccc1C(F)(F)F Show InChI InChI=1S/C20H19F3N4O/c1-13-6-7-18-24-17(12-27(18)25-13)19(28)26-10-8-14(9-11-26)15-4-2-3-5-16(15)20(21,22)23/h2-7,12,14H,8-11H2,1H3	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
Albany College of Pharmacy and Health Sciences Curated by ChEMBL					Assay Description Competitive displacement of 3[H]retinol from biotinylated RBP4 (unknown origin) by surface plasmon resonance analysis				J Med Chem 62: 5470-5500 (2019) Article DOI: 10.1021/acs.jmedchem.9b00352 BindingDB Entry DOI: 10.7270/Q290272Z
					More data for this Ligand-Target Pair
Retinol-binding protein 4 (Homo sapiens (Human))	BDBM50026250 (CHEMBL3358470) Show SMILES CN(CCOc1ccccc1C(F)(F)F)C(=O)Nc1ccccc1C(O)=O Show InChI InChI=1S/C18H17F3N2O4/c1-23(17(26)22-14-8-4-2-6-12(14)16(24)25)10-11-27-15-9-5-3-7-13(15)18(19,20)21/h2-9H,10-11H2,1H3,(H,22,26)(H,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.70	n/a	n/a	n/a	n/a	n/a	n/a
Albany Molecular Research Curated by ChEMBL					Assay Description Antagonist activity at maltose binding protein-tagged RBP4 (unknown origin) expressed in Escherichia coli assessed as inhibition of retinol-induced p...				J Med Chem 57: 7731-57 (2014) Article DOI: 10.1021/jm5010013 BindingDB Entry DOI: 10.7270/Q2FB54JT
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Homo sapiens (Human))	BDBM16633 (6-[(5-fluoro-3-methyl-1-benzofuran-2-)sulfonyl]-2,...) Show SMILES Cc1c(oc2ccc(F)cc12)S(=O)(=O)c1ccc(=O)[nH]n1 Show InChI InChI=1S/C13H9FN2O4S/c1-7-9-6-8(14)2-3-10(9)20-13(7)21(18,19)12-5-4-11(17)15-16-12/h2-6H,1H3,(H,15,17)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer					Assay Description The activity of the enzyme was determined spectrophotometrically by monitoring the change in absorbance at 340 nm, which is due to the disappearance ...				J Med Chem 48: 6326-39 (2005) Article DOI: 10.1021/jm050462t BindingDB Entry DOI: 10.7270/Q2RN363Z
					More data for this Ligand-Target Pair
Retinol-binding protein 4 (Homo sapiens (Human))	BDBM50026249 (CHEMBL3358466) Show SMILES OC(=O)C(=O)N1CCC(CC1)c1ccccc1C(F)(F)F Show InChI InChI=1S/C14H14F3NO3/c15-14(16,17)11-4-2-1-3-10(11)9-5-7-18(8-6-9)12(19)13(20)21/h1-4,9H,5-8H2,(H,20,21)	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	3.10	n/a	n/a	n/a	n/a	n/a	n/a
Albany Molecular Research Curated by ChEMBL					Assay Description Antagonist activity at maltose binding protein-tagged RBP4 (unknown origin) expressed in Escherichia coli assessed as inhibition of retinol-induced p...				J Med Chem 57: 7731-57 (2014) Article DOI: 10.1021/jm5010013 BindingDB Entry DOI: 10.7270/Q2FB54JT
					More data for this Ligand-Target Pair
Retinol-binding protein 4 (Homo sapiens (Human))	BDBM50104147 (CHEMBL3593524) Show SMILES [H][C@@]12C[C@@H](C[C@]1([H])CN(C2)c1nc(C)cc(n1)C(N)=O)c1ccccc1C(F)(F)F |r| Show InChI InChI=1S/C20H21F3N4O/c1-11-6-17(18(24)28)26-19(25-11)27-9-13-7-12(8-14(13)10-27)15-4-2-3-5-16(15)20(21,22)23/h2-6,12-14H,7-10H2,1H3,(H2,24,28)/t12-,13-,14+	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	3.30	n/a	n/a	n/a	n/a	n/a	n/a
Columbia University Medical Center Curated by ChEMBL					Assay Description Displacement of [3H]-retinol from RBP4 (unknown origin) by scintillation proximity assay				J Med Chem 58: 5863-88 (2015) Article DOI: 10.1021/acs.jmedchem.5b00423 BindingDB Entry DOI: 10.7270/Q20Z751F
					More data for this Ligand-Target Pair
Retinol-binding protein 4 (Homo sapiens (Human))	BDBM50501914 (CHEMBL4546092) Show SMILES [H][C@@]12C[C@@H](C[C@]1([H])CN(C2)C(=O)c1nnc2ccc(cn12)C(F)(F)F)c1ccccc1C(F)(F)F |r| Show InChI InChI=1S/C22H18F6N4O/c23-21(24,25)15-5-6-18-29-30-19(32(18)11-15)20(33)31-9-13-7-12(8-14(13)10-31)16-3-1-2-4-17(16)22(26,27)28/h1-6,11-14H,7-10H2/t12-,13-,14+	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
Albany College of Pharmacy and Health Sciences Curated by ChEMBL					Assay Description Competitive displacement of 3[H]retinol from biotinylated RBP4 (unknown origin) by surface plasmon resonance analysis				J Med Chem 62: 5470-5500 (2019) Article DOI: 10.1021/acs.jmedchem.9b00352 BindingDB Entry DOI: 10.7270/Q290272Z
					More data for this Ligand-Target Pair
Retinol-binding protein 4 (Homo sapiens (Human))	BDBM50501899 (CHEMBL4469381) Show SMILES FC(F)(F)c1ccccc1C1CCN(CC1)C(=O)c1cn2nc(ccc2n1)C1CC1 Show InChI InChI=1S/C22H21F3N4O/c23-22(24,25)17-4-2-1-3-16(17)14-9-11-28(12-10-14)21(30)19-13-29-20(26-19)8-7-18(27-29)15-5-6-15/h1-4,7-8,13-15H,5-6,9-12H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.60	n/a	n/a	n/a	n/a	n/a	n/a
Albany College of Pharmacy and Health Sciences Curated by ChEMBL					Assay Description Competitive displacement of 3[H]retinol from biotinylated RBP4 (unknown origin) by surface plasmon resonance analysis				J Med Chem 62: 5470-5500 (2019) Article DOI: 10.1021/acs.jmedchem.9b00352 BindingDB Entry DOI: 10.7270/Q290272Z
					More data for this Ligand-Target Pair
Retinol-binding protein 4 (Homo sapiens (Human))	BDBM50501910 (CHEMBL4452483) Show SMILES COc1ccc2nnc(C(=O)N3CCC(CC3)c3ccccc3C(F)(F)F)n2c1 Show InChI InChI=1S/C20H19F3N4O2/c1-29-14-6-7-17-24-25-18(27(17)12-14)19(28)26-10-8-13(9-11-26)15-4-2-3-5-16(15)20(21,22)23/h2-7,12-13H,8-11H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.70	n/a	n/a	n/a	n/a	n/a	n/a
Albany College of Pharmacy and Health Sciences Curated by ChEMBL					Assay Description Competitive displacement of 3[H]retinol from biotinylated RBP4 (unknown origin) by surface plasmon resonance analysis				J Med Chem 62: 5470-5500 (2019) Article DOI: 10.1021/acs.jmedchem.9b00352 BindingDB Entry DOI: 10.7270/Q290272Z
					More data for this Ligand-Target Pair
Retinol-binding protein 4 (Homo sapiens (Human))	BDBM50501929 (CHEMBL4532832) Show SMILES Cn1nc(C(=O)N2CCC(CC2)c2ccccc2C(F)(F)F)c2ccccc12 Show InChI InChI=1S/C21H20F3N3O/c1-26-18-9-5-3-7-16(18)19(25-26)20(28)27-12-10-14(11-13-27)15-6-2-4-8-17(15)21(22,23)24/h2-9,14H,10-13H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.70	n/a	n/a	n/a	n/a	n/a	n/a
Albany College of Pharmacy and Health Sciences Curated by ChEMBL					Assay Description Competitive displacement of 3[H]retinol from biotinylated RBP4 (unknown origin) by surface plasmon resonance analysis				J Med Chem 62: 5470-5500 (2019) Article DOI: 10.1021/acs.jmedchem.9b00352 BindingDB Entry DOI: 10.7270/Q290272Z
					More data for this Ligand-Target Pair
Retinol-binding protein 4 (Homo sapiens (Human))	BDBM50501911 (CHEMBL4468564) Show SMILES FC(F)(F)c1ccc2nnc(C(=O)N3CCC(CC3)c3ccccc3C(F)(F)F)n2c1 Show InChI InChI=1S/C20H16F6N4O/c21-19(22,23)13-5-6-16-27-28-17(30(16)11-13)18(31)29-9-7-12(8-10-29)14-3-1-2-4-15(14)20(24,25)26/h1-6,11-12H,7-10H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.80	n/a	n/a	n/a	n/a	n/a	n/a
Albany College of Pharmacy and Health Sciences Curated by ChEMBL					Assay Description Competitive displacement of 3[H]retinol from biotinylated RBP4 (unknown origin) by surface plasmon resonance analysis				J Med Chem 62: 5470-5500 (2019) Article DOI: 10.1021/acs.jmedchem.9b00352 BindingDB Entry DOI: 10.7270/Q290272Z
					More data for this Ligand-Target Pair
Retinol-binding protein 4 (Homo sapiens (Human))	BDBM50026248 (CHEMBL3358465) Show SMILES FC(F)(F)c1ccccc1C1CCN(CC1)C(=O)Nc1ccccc1C(=O)NS(=O)(=O)c1ccccc1 Show InChI InChI=1S/C26H24F3N3O4S/c27-26(28,29)22-12-6-4-10-20(22)18-14-16-32(17-15-18)25(34)30-23-13-7-5-11-21(23)24(33)31-37(35,36)19-8-2-1-3-9-19/h1-13,18H,14-17H2,(H,30,34)(H,31,33)	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	3.90	n/a	n/a	n/a	n/a	n/a	n/a
Albany Molecular Research Curated by ChEMBL					Assay Description Antagonist activity at maltose binding protein-tagged RBP4 (unknown origin) expressed in Escherichia coli assessed as inhibition of retinol-induced p...				J Med Chem 57: 7731-57 (2014) Article DOI: 10.1021/jm5010013 BindingDB Entry DOI: 10.7270/Q2FB54JT
					More data for this Ligand-Target Pair
Retinol-binding protein 4 (Homo sapiens (Human))	BDBM50501915 (CHEMBL4524379) Show SMILES Cc1ccc2nnc(C(=O)N3CCC(CC3)c3ccccc3C(F)(F)F)n2c1 Show InChI InChI=1S/C20H19F3N4O/c1-13-6-7-17-24-25-18(27(17)12-13)19(28)26-10-8-14(9-11-26)15-4-2-3-5-16(15)20(21,22)23/h2-7,12,14H,8-11H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.90	n/a	n/a	n/a	n/a	n/a	n/a
Albany College of Pharmacy and Health Sciences Curated by ChEMBL					Assay Description Competitive displacement of 3[H]retinol from biotinylated RBP4 (unknown origin) by surface plasmon resonance analysis				J Med Chem 62: 5470-5500 (2019) Article DOI: 10.1021/acs.jmedchem.9b00352 BindingDB Entry DOI: 10.7270/Q290272Z
					More data for this Ligand-Target Pair
Retinol-binding protein 4 (Homo sapiens (Human))	BDBM50104159 (CHEMBL3594229 | US10787453, Compound 66) Show SMILES [H][C@@]12CN(C[C@]1([H])CN(C2)c1ccccc1C(F)(F)F)c1nc(C)cc(n1)C(=O)OC |r| Show InChI InChI=1S/C20H21F3N4O2/c1-12-7-16(18(28)29-2)25-19(24-12)27-10-13-8-26(9-14(13)11-27)17-6-4-3-5-15(17)20(21,22)23/h3-7,13-14H,8-11H2,1-2H3/t13-,14+	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	3.90	n/a	n/a	n/a	n/a	n/a	n/a
Columbia University Medical Center Curated by ChEMBL					Assay Description Displacement of [3H]-retinol from RBP4 (unknown origin) by scintillation proximity assay				J Med Chem 58: 5863-88 (2015) Article DOI: 10.1021/acs.jmedchem.5b00423 BindingDB Entry DOI: 10.7270/Q20Z751F
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Homo sapiens (Human))	BDBM16452 ((4-oxo-3-{[5-(trifluoromethyl)-1,3-benzothiazol-2-...) Show SMILES OC(=O)Cc1nn(Cc2nc3cc(ccc3s2)C(F)(F)F)c(=O)c2ccccc12 Show InChI InChI=1S/C19H12F3N3O3S/c20-19(21,22)10-5-6-15-14(7-10)23-16(29-15)9-25-18(28)12-4-2-1-3-11(12)13(24-25)8-17(26)27/h1-7H,8-9H2,(H,26,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	7.0	24
Pfizer					Assay Description The activity of the enzyme was determined spectrophotometrically by monitoring the change in absorbance at 340 nm, which is due to the disappearance ...				J Med Chem 46: 2283-6 (2003) Article DOI: 10.1021/jm034065z BindingDB Entry DOI: 10.7270/Q2NV9GGM
					More data for this Ligand-Target Pair				3D Structure (crystal)
Retinol-binding protein 4 (Homo sapiens (Human))	BDBM50501895 (CHEMBL4570619) Show SMILES CCOc1ccc2nnc(C(=O)N3CCC(CC3)c3ccccc3C(F)(F)F)n2c1 Show InChI InChI=1S/C21H21F3N4O2/c1-2-30-15-7-8-18-25-26-19(28(18)13-15)20(29)27-11-9-14(10-12-27)16-5-3-4-6-17(16)21(22,23)24/h3-8,13-14H,2,9-12H2,1H3	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	n/a	n/a	n/a	n/a	n/a	n/a
Albany College of Pharmacy and Health Sciences Curated by ChEMBL					Assay Description Competitive displacement of 3[H]retinol from biotinylated RBP4 (unknown origin) by surface plasmon resonance analysis				J Med Chem 62: 5470-5500 (2019) Article DOI: 10.1021/acs.jmedchem.9b00352 BindingDB Entry DOI: 10.7270/Q290272Z
					More data for this Ligand-Target Pair
Retinol-binding protein 4 (Homo sapiens (Human))	BDBM50501932 (CHEMBL4457361) Show SMILES FC(F)(F)c1ccccc1C1CCN(CC1)C(=O)c1nnc2ccc(Cl)cn12 Show InChI InChI=1S/C19H16ClF3N4O/c20-13-5-6-16-24-25-17(27(16)11-13)18(28)26-9-7-12(8-10-26)14-3-1-2-4-15(14)19(21,22)23/h1-6,11-12H,7-10H2	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	n/a	n/a	n/a	n/a	n/a	n/a
Albany College of Pharmacy and Health Sciences Curated by ChEMBL					Assay Description Competitive displacement of 3[H]retinol from biotinylated RBP4 (unknown origin) by surface plasmon resonance analysis				J Med Chem 62: 5470-5500 (2019) Article DOI: 10.1021/acs.jmedchem.9b00352 BindingDB Entry DOI: 10.7270/Q290272Z
					More data for this Ligand-Target Pair
Retinol-binding protein 4 (Homo sapiens (Human))	BDBM50501931 (CHEMBL4514302) Show SMILES Fc1ccc2c(nn(C3COC3)c2c1)C(=O)N1CCC(CC1)c1ccccc1C(F)(F)F Show InChI InChI=1S/C23H21F4N3O2/c24-15-5-6-18-20(11-15)30(16-12-32-13-16)28-21(18)22(31)29-9-7-14(8-10-29)17-3-1-2-4-19(17)23(25,26)27/h1-6,11,14,16H,7-10,12-13H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.10	n/a	n/a	n/a	n/a	n/a	n/a
Albany College of Pharmacy and Health Sciences Curated by ChEMBL					Assay Description Competitive displacement of 3[H]retinol from biotinylated RBP4 (unknown origin) by surface plasmon resonance analysis				J Med Chem 62: 5470-5500 (2019) Article DOI: 10.1021/acs.jmedchem.9b00352 BindingDB Entry DOI: 10.7270/Q290272Z
					More data for this Ligand-Target Pair
Retinol-binding protein 4 (Homo sapiens (Human))	BDBM50501933 (CHEMBL4559814) Show SMILES [H][C@@]12C[C@@H](C[C@]1([H])CN(C2)C(=O)c1nnc2ccc(F)cn12)c1ccccc1C(F)(F)F |r| Show InChI InChI=1S/C21H18F4N4O/c22-15-5-6-18-26-27-19(29(18)11-15)20(30)28-9-13-7-12(8-14(13)10-28)16-3-1-2-4-17(16)21(23,24)25/h1-6,11-14H,7-10H2/t12-,13-,14+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.10	n/a	n/a	n/a	n/a	n/a	n/a
Albany College of Pharmacy and Health Sciences Curated by ChEMBL					Assay Description Competitive displacement of 3[H]retinol from biotinylated RBP4 (unknown origin) by surface plasmon resonance analysis				J Med Chem 62: 5470-5500 (2019) Article DOI: 10.1021/acs.jmedchem.9b00352 BindingDB Entry DOI: 10.7270/Q290272Z
					More data for this Ligand-Target Pair
Retinol-binding protein 4 (Homo sapiens (Human))	BDBM50104179 (CHEMBL3594225) Show SMILES COC(=O)c1cc(C)nc(n1)N1CCC(CC1)c1ccccc1C(F)(F)F Show InChI InChI=1S/C19H20F3N3O2/c1-12-11-16(17(26)27-2)24-18(23-12)25-9-7-13(8-10-25)14-5-3-4-6-15(14)19(20,21)22/h3-6,11,13H,7-10H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.10	n/a	n/a	n/a	n/a	n/a	n/a
Columbia University Medical Center Curated by ChEMBL					Assay Description Displacement of [3H]-retinol from RBP4 (unknown origin) by scintillation proximity assay				J Med Chem 58: 5863-88 (2015) Article DOI: 10.1021/acs.jmedchem.5b00423 BindingDB Entry DOI: 10.7270/Q20Z751F
					More data for this Ligand-Target Pair
Retinol-binding protein 4 (Homo sapiens (Human))	BDBM50501912 (CHEMBL4586625) Show SMILES [H][C@@]12C[C@@H](C[C@]1([H])CN(C2)C(=O)c1nnc2ccc(Cl)cn12)c1ccccc1C(F)(F)F |r| Show InChI InChI=1S/C21H18ClF3N4O/c22-15-5-6-18-26-27-19(29(18)11-15)20(30)28-9-13-7-12(8-14(13)10-28)16-3-1-2-4-17(16)21(23,24)25/h1-6,11-14H,7-10H2/t12-,13-,14+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.5	n/a	n/a	n/a	n/a	n/a	n/a
Albany College of Pharmacy and Health Sciences Curated by ChEMBL					Assay Description Competitive displacement of 3[H]retinol from biotinylated RBP4 (unknown origin) by surface plasmon resonance analysis				J Med Chem 62: 5470-5500 (2019) Article DOI: 10.1021/acs.jmedchem.9b00352 BindingDB Entry DOI: 10.7270/Q290272Z
					More data for this Ligand-Target Pair
Retinol-binding protein 4 (Homo sapiens (Human))	BDBM50501909 (CHEMBL4470444) Show SMILES Fc1ccc2nnc(C(=O)N3CCC(CC3)c3ccccc3C(F)(F)F)n2c1 Show InChI InChI=1S/C19H16F4N4O/c20-13-5-6-16-24-25-17(27(16)11-13)18(28)26-9-7-12(8-10-26)14-3-1-2-4-15(14)19(21,22)23/h1-6,11-12H,7-10H2	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
Albany College of Pharmacy and Health Sciences Curated by ChEMBL					Assay Description Competitive displacement of 3[H]retinol from biotinylated RBP4 (unknown origin) by surface plasmon resonance analysis				J Med Chem 62: 5470-5500 (2019) Article DOI: 10.1021/acs.jmedchem.9b00352 BindingDB Entry DOI: 10.7270/Q290272Z
					More data for this Ligand-Target Pair
Retinol-binding protein 4 (Homo sapiens (Human))	BDBM50501902 (CHEMBL4457350) Show SMILES Fc1ccc2c(n[nH]c2c1)C(=O)N1CCC(CC1)c1ccccc1C(F)(F)F Show InChI InChI=1S/C20H17F4N3O/c21-13-5-6-15-17(11-13)25-26-18(15)19(28)27-9-7-12(8-10-27)14-3-1-2-4-16(14)20(22,23)24/h1-6,11-12H,7-10H2,(H,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.70	n/a	n/a	n/a	n/a	n/a	n/a
Albany College of Pharmacy and Health Sciences Curated by ChEMBL					Assay Description Competitive displacement of 3[H]retinol from biotinylated RBP4 (unknown origin) by surface plasmon resonance analysis				J Med Chem 62: 5470-5500 (2019) Article DOI: 10.1021/acs.jmedchem.9b00352 BindingDB Entry DOI: 10.7270/Q290272Z
					More data for this Ligand-Target Pair
Retinol-binding protein 4 (Homo sapiens (Human))	BDBM50501930 (CHEMBL4439759) Show SMILES Fc1ccc2[nH]nc(C(=O)N3CCC(CC3)c3ccccc3C(F)(F)F)c2c1 Show InChI InChI=1S/C20H17F4N3O/c21-13-5-6-17-15(11-13)18(26-25-17)19(28)27-9-7-12(8-10-27)14-3-1-2-4-16(14)20(22,23)24/h1-6,11-12H,7-10H2,(H,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.70	n/a	n/a	n/a	n/a	n/a	n/a
Albany College of Pharmacy and Health Sciences Curated by ChEMBL					Assay Description Competitive displacement of 3[H]retinol from biotinylated RBP4 (unknown origin) by surface plasmon resonance analysis				J Med Chem 62: 5470-5500 (2019) Article DOI: 10.1021/acs.jmedchem.9b00352 BindingDB Entry DOI: 10.7270/Q290272Z
					More data for this Ligand-Target Pair
Retinol-binding protein 4 (Homo sapiens (Human))	BDBM249544 (US10072016, Compound 142 | US10407433, Compound 14...) Show SMILES Fc1ccc(c(c1)C1CCN(CC1)C(=O)c1nnc2ccc(cn12)C#N)C(F)(F)F Show InChI InChI=1S/C20H15F4N5O/c21-14-2-3-16(20(22,23)24)15(9-14)13-5-7-28(8-6-13)19(30)18-27-26-17-4-1-12(10-25)11-29(17)18/h1-4,9,11,13H,5-8H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.90	n/a	n/a	n/a	n/a	n/a	n/a
Albany College of Pharmacy and Health Sciences Curated by ChEMBL					Assay Description Competitive displacement of 3[H]retinol from biotinylated RBP4 (unknown origin) by surface plasmon resonance analysis				J Med Chem 62: 5470-5500 (2019) Article DOI: 10.1021/acs.jmedchem.9b00352 BindingDB Entry DOI: 10.7270/Q290272Z
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Homo sapiens (Human))	BDBM16634 (6-{[3-methyl-5-(trifluoromethyl)-1-benzofuran-2-]s...) Show SMILES Cc1c(oc2ccc(cc12)C(F)(F)F)S(=O)(=O)c1ccc(=O)[nH]n1 Show InChI InChI=1S/C14H9F3N2O4S/c1-7-9-6-8(14(15,16)17)2-3-10(9)23-13(7)24(21,22)12-5-4-11(20)18-19-12/h2-6H,1H3,(H,18,20)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	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
Pfizer					Assay Description The activity of the enzyme was determined spectrophotometrically by monitoring the change in absorbance at 340 nm, which is due to the disappearance ...				J Med Chem 48: 6326-39 (2005) Article DOI: 10.1021/jm050462t BindingDB Entry DOI: 10.7270/Q2RN363Z
					More data for this Ligand-Target Pair
Retinol-binding protein 4 (Homo sapiens (Human))	BDBM50501936 (CHEMBL4435017) Show SMILES FC(F)(F)c1ccccc1C1CCN(CC1)C(=O)c1cn2ncccc2n1 Show InChI InChI=1S/C19H17F3N4O/c20-19(21,22)15-5-2-1-4-14(15)13-7-10-25(11-8-13)18(27)16-12-26-17(24-16)6-3-9-23-26/h1-6,9,12-13H,7-8,10-11H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank 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
Albany College of Pharmacy and Health Sciences Curated by ChEMBL					Assay Description Competitive displacement of 3[H]retinol from biotinylated RBP4 (unknown origin) by surface plasmon resonance analysis				J Med Chem 62: 5470-5500 (2019) Article DOI: 10.1021/acs.jmedchem.9b00352 BindingDB Entry DOI: 10.7270/Q290272Z
					More data for this Ligand-Target Pair
Retinol-binding protein 4 (Homo sapiens (Human))	BDBM50501900 (CHEMBL4463039) Show SMILES FC(F)(F)c1ccccc1C1CCN(CC1)C(=O)c1nnc2ccc(cn12)C#N Show InChI InChI=1S/C20H16F3N5O/c21-20(22,23)16-4-2-1-3-15(16)14-7-9-27(10-8-14)19(29)18-26-25-17-6-5-13(11-24)12-28(17)18/h1-6,12,14H,7-10H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank 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
Albany College of Pharmacy and Health Sciences Curated by ChEMBL					Assay Description Competitive displacement of 3[H]retinol from biotinylated RBP4 (unknown origin) by surface plasmon resonance analysis				J Med Chem 62: 5470-5500 (2019) Article DOI: 10.1021/acs.jmedchem.9b00352 BindingDB Entry DOI: 10.7270/Q290272Z
					More data for this Ligand-Target Pair
Retinol-binding protein 4 (Homo sapiens (Human))	BDBM50026247 (CHEMBL3358464) Show SMILES FC(F)(F)c1ccccc1C1CCN(CC1)C(=O)Nc1ccccc1C(=O)NS(=O)(=O)C1CC1 Show InChI InChI=1S/C23H24F3N3O4S/c24-23(25,26)19-7-3-1-5-17(19)15-11-13-29(14-12-15)22(31)27-20-8-4-2-6-18(20)21(30)28-34(32,33)16-9-10-16/h1-8,15-16H,9-14H2,(H,27,31)(H,28,30)	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	5.30	n/a	n/a	n/a	n/a	n/a	n/a
Albany Molecular Research Curated by ChEMBL					Assay Description Antagonist activity at maltose binding protein-tagged RBP4 (unknown origin) expressed in Escherichia coli assessed as inhibition of retinol-induced p...				J Med Chem 57: 7731-57 (2014) Article DOI: 10.1021/jm5010013 BindingDB Entry DOI: 10.7270/Q2FB54JT
					More data for this Ligand-Target Pair
Retinol-binding protein 4 (Homo sapiens (Human))	BDBM50026242 (CHEMBL3359026) Show SMILES [H][C@@]12C[C@@H](C[C@]1([H])CN(C2)C(=O)N[C@@H](C)C(O)=O)c1ccccc1C(F)(F)F |r| Show InChI InChI=1S/C18H21F3N2O3/c1-10(16(24)25)22-17(26)23-8-12-6-11(7-13(12)9-23)14-4-2-3-5-15(14)18(19,20)21/h2-5,10-13H,6-9H2,1H3,(H,22,26)(H,24,25)/t10-,11-,12-,13+/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	5.30	n/a	n/a	n/a	n/a	n/a	n/a
Albany Molecular Research Curated by ChEMBL					Assay Description Antagonist activity at maltose binding protein-tagged RBP4 (unknown origin) expressed in Escherichia coli assessed as inhibition of retinol-induced p...				J Med Chem 57: 7731-57 (2014) Article DOI: 10.1021/jm5010013 BindingDB Entry DOI: 10.7270/Q2FB54JT
					More data for this Ligand-Target Pair
Retinol-binding protein 4 (Homo sapiens (Human))	BDBM50501898 (CHEMBL4588529) Show SMILES FC(F)(F)c1ccccc1C1CCN(CC1)C(=O)c1n[nH]c2c(Cl)cccc12 Show InChI InChI=1S/C20H17ClF3N3O/c21-16-7-3-5-14-17(16)25-26-18(14)19(28)27-10-8-12(9-11-27)13-4-1-2-6-15(13)20(22,23)24/h1-7,12H,8-11H2,(H,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.5	n/a	n/a	n/a	n/a	n/a	n/a
Albany College of Pharmacy and Health Sciences Curated by ChEMBL					Assay Description Competitive displacement of 3[H]retinol from biotinylated RBP4 (unknown origin) by surface plasmon resonance analysis				J Med Chem 62: 5470-5500 (2019) Article DOI: 10.1021/acs.jmedchem.9b00352 BindingDB Entry DOI: 10.7270/Q290272Z
					More data for this Ligand-Target Pair
Retinol-binding protein 4 (Homo sapiens (Human))	BDBM249466 (US10072016, Compound 65 | US10407433, Compound 65 ...) Show SMILES Fc1cccc(C2CCN(CC2)C(=O)c2nnc3ccc(cn23)C#N)c1C(F)(F)F Show InChI InChI=1S/C20H15F4N5O/c21-15-3-1-2-14(17(15)20(22,23)24)13-6-8-28(9-7-13)19(30)18-27-26-16-5-4-12(10-25)11-29(16)18/h1-5,11,13H,6-9H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	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
Albany College of Pharmacy and Health Sciences Curated by ChEMBL					Assay Description Competitive displacement of 3[H]retinol from biotinylated RBP4 (unknown origin) by surface plasmon resonance analysis				J Med Chem 62: 5470-5500 (2019) Article DOI: 10.1021/acs.jmedchem.9b00352 BindingDB Entry DOI: 10.7270/Q290272Z
					More data for this Ligand-Target Pair
Retinol-binding protein 4 (Homo sapiens (Human))	BDBM249559 (US10072016, Compound 157 | US10407433, Compound 15...) Show SMILES Fc1cccc(c1C1CCN(CC1)C(=O)c1nnc2ccc(cn12)C#N)C(F)(F)F Show InChI InChI=1S/C20H15F4N5O/c21-15-3-1-2-14(20(22,23)24)17(15)13-6-8-28(9-7-13)19(30)18-27-26-16-5-4-12(10-25)11-29(16)18/h1-5,11,13H,6-9H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.80	n/a	n/a	n/a	n/a	n/a	n/a
Albany College of Pharmacy and Health Sciences Curated by ChEMBL					Assay Description Competitive displacement of 3[H]retinol from biotinylated RBP4 (unknown origin) by surface plasmon resonance analysis				J Med Chem 62: 5470-5500 (2019) Article DOI: 10.1021/acs.jmedchem.9b00352 BindingDB Entry DOI: 10.7270/Q290272Z
					More data for this Ligand-Target Pair

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