Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Retinol-binding protein 4' and Ligand = 'BDBM50104156'   

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
Retinol-binding protein 4 (Homo sapiens (Human))	BDBM50104156 (CHEMBL3594232) Show SMILES [H][C@@]12C[C@@H](C[C@]1([H])CN(C2)c1nc(C)cc(n1)C(O)=O)c1ccccc1C(F)(F)F |r| Show InChI InChI=1S/C20H20F3N3O2/c1-11-6-17(18(27)28)25-19(24-11)26-9-13-7-12(8-14(13)10-26)15-4-2-3-5-16(15)20(21,22)23/h2-6,12-14H,7-10H2,1H3,(H,27,28)/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	13	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))	BDBM50104156 (CHEMBL3594232) Show SMILES [H][C@@]12C[C@@H](C[C@]1([H])CN(C2)c1nc(C)cc(n1)C(O)=O)c1ccccc1C(F)(F)F |r| Show InChI InChI=1S/C20H20F3N3O2/c1-11-6-17(18(27)28)25-19(24-11)26-9-13-7-12(8-14(13)10-26)15-4-2-3-5-16(15)20(21,22)23/h2-6,12-14H,7-10H2,1H3,(H,27,28)/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	44	n/a	n/a	n/a	n/a	n/a	n/a
Columbia University Medical Center Curated by ChEMBL					Assay Description Inhibition of retinol-induced interaction of bacterially expressed MBP-tagged RBP4 (unknown origin) with Eu3+ cryptate labeled TTR by HTRF 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