Compile Data Set for Download or QSAR

Found 64 hits Enz. Inhib. hit(s) with all data for entry = 50004352   

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))	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))	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))	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))	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))	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))	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))	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))	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
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))	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
Retinol-binding protein 4 (Homo sapiens (Human))	BDBM50501896 (CHEMBL4569872) Show SMILES [H][C@@]12C[C@@H](C[C@]1([H])CN(C2)C(=O)c1nnc2ccc(cn12)C#N)c1ccccc1C(F)(F)F |r| Show InChI InChI=1S/C22H18F3N5O/c23-22(24,25)18-4-2-1-3-17(18)14-7-15-11-29(12-16(15)8-14)21(31)20-28-27-19-6-5-13(9-26)10-30(19)20/h1-6,10,14-16H,7-8,11-12H2/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	6	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))	BDBM50501913 (CHEMBL4525563) Show SMILES [H][C@@]12C[C@@H](C[C@]1([H])CN(C2)C(=O)c1nnc2ccc(OC)cn12)c1ccccc1C(F)(F)F |r| Show InChI InChI=1S/C22H21F3N4O2/c1-31-16-6-7-19-26-27-20(29(19)12-16)21(30)28-10-14-8-13(9-15(14)11-28)17-4-2-3-5-18(17)22(23,24)25/h2-7,12-15H,8-11H2,1H3/t13-,14-,15+	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	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))	BDBM50501907 (CHEMBL4591437) Show SMILES FC(F)(F)c1ccccc1C1CCN(CC1)C(=O)c1noc2ccccc12 Show InChI InChI=1S/C20H17F3N2O2/c21-20(22,23)16-7-3-1-5-14(16)13-9-11-25(12-10-13)19(26)18-15-6-2-4-8-17(15)27-24-18/h1-8,13H,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	6.30	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))	BDBM50501901 (CHEMBL4539552) Show SMILES FC(F)(F)c1ccccc1C1CCN(CC1)C(=O)c1n[nH]c2ccccc12 Show InChI InChI=1S/C20H18F3N3O/c21-20(22,23)16-7-3-1-5-14(16)13-9-11-26(12-10-13)19(27)18-15-6-2-4-8-17(15)24-25-18/h1-8,13H,9-12H2,(H,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.40	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))	BDBM50501922 (CHEMBL4476117) Show SMILES COc1ccc2nc(cn2n1)C(=O)N1CCC(CC1)c1ccccc1C(F)(F)F Show InChI InChI=1S/C20H19F3N4O2/c1-29-18-7-6-17-24-16(12-27(17)25-18)19(28)26-10-8-13(9-11-26)14-4-2-3-5-15(14)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	6.40	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))	BDBM50501926 (CHEMBL4467672) Show SMILES FC(F)(F)c1ccccc1C1CCN(CC1)C(=O)c1cn2nc(ccc2n1)N1CCOCC1 Show InChI InChI=1S/C23H24F3N5O2/c24-23(25,26)18-4-2-1-3-17(18)16-7-9-30(10-8-16)22(32)19-15-31-20(27-19)5-6-21(28-31)29-11-13-33-14-12-29/h1-6,15-16H,7-14H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.70	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))	BDBM50501927 (CHEMBL4571698) Show SMILES FC(F)(F)c1ccccc1C1CCN(CC1)C(=O)c1nc2ccccc2[nH]1 Show InChI InChI=1S/C20H18F3N3O/c21-20(22,23)15-6-2-1-5-14(15)13-9-11-26(12-10-13)19(27)18-24-16-7-3-4-8-17(16)25-18/h1-8,13H,9-12H2,(H,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.80	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))	BDBM50501904 (CHEMBL4462736) Show SMILES FC(F)(F)c1ccccc1C1CCN(CC1)C(=O)c1n[nH]c2ccc(Cl)cc12 Show InChI InChI=1S/C20H17ClF3N3O/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	7	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))	BDBM50501903 (CHEMBL4444809) Show SMILES FC(F)(F)c1ccccc1C1CCN(CC1)C(=O)c1n[nH]c2cc(Cl)ccc12 Show InChI InChI=1S/C20H17ClF3N3O/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	7.5	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))	BDBM50501908 (CHEMBL4458528) Show SMILES FC(F)(F)c1ccccc1C1CCN(CC1)C(=O)c1onc2ccccc12 Show InChI InChI=1S/C20H17F3N2O2/c21-20(22,23)16-7-3-1-5-14(16)13-9-11-25(12-10-13)19(26)18-15-6-2-4-8-17(15)24-27-18/h1-8,13H,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	8.30	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))	BDBM50501897 (CHEMBL4459235) Show SMILES FC(F)(F)c1ccccc1C1CCN(CC1)C(=O)c1nc2ccccc2o1 Show InChI InChI=1S/C20H17F3N2O2/c21-20(22,23)15-6-2-1-5-14(15)13-9-11-25(12-10-13)19(26)18-24-16-7-3-4-8-17(16)27-18/h1-8,13H,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	8.5	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))	BDBM249562 (US10072016, Compound 160 | US10407433, Compound 16...) Show SMILES Fc1ccc(C2CCN(CC2)C(=O)c2nnc3ccc(cn23)C#N)c(c1)C(F)(F)F Show InChI InChI=1S/C20H15F4N5O/c21-14-2-3-15(16(9-14)20(22,23)24)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	9.10	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))	BDBM50501906 (CHEMBL4583814) Show SMILES CCn1nc(C(=O)N2CCC(CC2)c2ccccc2C(F)(F)F)c2ccc(F)cc12 Show InChI InChI=1S/C22H21F4N3O/c1-2-29-19-13-15(23)7-8-17(19)20(27-29)21(30)28-11-9-14(10-12-28)16-5-3-4-6-18(16)22(24,25)26/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	9.5	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))	BDBM50501918 (CHEMBL4573203) Show SMILES FC(F)(F)c1ccccc1C1CCN(CC1)C(=O)c1nc2ccccc2s1 Show InChI InChI=1S/C20H17F3N2OS/c21-20(22,23)15-6-2-1-5-14(15)13-9-11-25(12-10-13)19(26)18-24-16-7-3-4-8-17(16)27-18/h1-8,13H,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	9.60	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))	BDBM50501920 (CHEMBL4452180) Show SMILES FC(F)(F)c1ccccc1C1CCN(CC1)C(=O)c1cn2ccccc2n1 Show InChI InChI=1S/C20H18F3N3O/c21-20(22,23)16-6-2-1-5-15(16)14-8-11-25(12-9-14)19(27)17-13-26-10-4-3-7-18(26)24-17/h1-7,10,13-14H,8-9,11-12H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.70	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))	BDBM50501917 (CHEMBL4593080) Show SMILES [H][C@@]12C[C@@H](C[C@]1([H])CN(C2)C(=O)c1nnc2ccc(cn12)S(=O)(=O)NC)c1ccccc1C(F)(F)F |r| Show InChI InChI=1S/C22H22F3N5O3S/c1-26-34(32,33)16-6-7-19-27-28-20(30(19)12-16)21(31)29-10-14-8-13(9-15(14)11-29)17-4-2-3-5-18(17)22(23,24)25/h2-7,12-15,26H,8-11H2,1H3/t13-,14-,15+	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
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))	BDBM50501923 (CHEMBL4474669) Show SMILES FC(F)(F)c1ccccc1C1CCN(CC1)C(=O)c1cn2nc(ccc2n1)N1CCCC1 Show InChI InChI=1S/C23H24F3N5O/c24-23(25,26)18-6-2-1-5-17(18)16-9-13-30(14-10-16)22(32)19-15-31-20(27-19)7-8-21(28-31)29-11-3-4-12-29/h1-2,5-8,15-16H,3-4,9-14H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	11	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))	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	15	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				3D Structure (crystal)
Retinol-binding protein 4 (Homo sapiens (Human))	BDBM50501934 (CHEMBL4536181) Show SMILES [H][C@@]12C[C@@H](C[C@]1([H])CN(C2)C(=O)c1nnc2ccc(NC(=O)N(C)C)cn12)c1ccccc1C(F)(F)F |r| Show InChI InChI=1S/C24H25F3N6O2/c1-31(2)23(35)28-17-7-8-20-29-30-21(33(20)13-17)22(34)32-11-15-9-14(10-16(15)12-32)18-5-3-4-6-19(18)24(25,26)27/h3-8,13-16H,9-12H2,1-2H3,(H,28,35)/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	15	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))	BDBM50501919 (CHEMBL4549656) Show SMILES FC(F)(F)c1ccccc1C1CCN(CC1)C(=O)c1cc2ccccc2[nH]1 Show InChI InChI=1S/C21H19F3N2O/c22-21(23,24)17-7-3-2-6-16(17)14-9-11-26(12-10-14)20(27)19-13-15-5-1-4-8-18(15)25-19/h1-8,13-14,25H,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	16	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))	BDBM50501928 (CHEMBL4463938) Show SMILES FC(F)(F)c1ccccc1C1CCN(CC1)C(=O)c1cc2ncccc2[nH]1 Show InChI InChI=1S/C20H18F3N3O/c21-20(22,23)15-5-2-1-4-14(15)13-7-10-26(11-8-13)19(27)18-12-17-16(25-18)6-3-9-24-17/h1-6,9,12-13,25H,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	30	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))	BDBM50501916 (CHEMBL4451481) Show SMILES [H][C@@]12C[C@@H](C[C@]1([H])CN(C2)C(=O)c1nnc2ccc(cn12)C(O)=O)c1ccccc1C(F)(F)F |r| Show InChI InChI=1S/C22H19F3N4O3/c23-22(24,25)17-4-2-1-3-16(17)13-7-14-9-28(10-15(14)8-13)20(30)19-27-26-18-6-5-12(21(31)32)11-29(18)19/h1-6,11,13-15H,7-10H2,(H,31,32)/t13-,14-,15+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	33	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))	BDBM50501905 (CHEMBL4591895) Show SMILES COc1ccc2[nH]nc(C(=O)N3CCC(CC3)c3ccccc3C(F)(F)F)c2c1 Show InChI InChI=1S/C21H20F3N3O2/c1-29-14-6-7-18-16(12-14)19(26-25-18)20(28)27-10-8-13(9-11-27)15-4-2-3-5-17(15)21(22,23)24/h2-7,12-13H,8-11H2,1H3,(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	45	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))	BDBM50501935 (CHEMBL4586278) Show SMILES FC(F)(F)c1ccccc1C1CCN(CC1)C(=O)c1cc2ccncc2[nH]1 Show InChI InChI=1S/C20H18F3N3O/c21-20(22,23)16-4-2-1-3-15(16)13-6-9-26(10-7-13)19(27)17-11-14-5-8-24-12-18(14)25-17/h1-5,8,11-13,25H,6-7,9-10H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	84	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))	BDBM50501924 (CHEMBL4525347) Show SMILES CC(C)n1nc(C(=O)N2CCC(CC2)c2ccccc2C(F)(F)F)c2ccc(F)cc12 Show InChI InChI=1S/C23H23F4N3O/c1-14(2)30-20-13-16(24)7-8-18(20)21(28-30)22(31)29-11-9-15(10-12-29)17-5-3-4-6-19(17)23(25,26)27/h3-8,13-15H,9-12H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	128	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
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	n/a	n/a	2.90E+3	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 measured after 30 mins in presence of NADPH by LC-MS/MS 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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