Compile Data Set for Download or QSAR

Found 8 hits Enz. Inhib. hit(s) with Target = 'Retinol-binding protein 4' and Ligand = 'BDBM249469'   

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))	BDBM249469 (US10072016, Compound 68 | US10407433, Compound 68 ...) Show SMILES COC(=O)N1CCc2[nH]nc(C(=O)N3CCC(CC3)c3cccc(F)c3C(F)(F)F)c2C1 Show InChI InChI=1S/C21H22F4N4O3/c1-32-20(31)29-10-7-16-14(11-29)18(27-26-16)19(30)28-8-5-12(6-9-28)13-3-2-4-15(22)17(13)21(23,24)25/h2-4,12H,5-11H2,1H3,(H,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1.37	n/a	n/a	n/a	n/a	n/a	n/a
THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK US Patent					Assay Description Untagged human RBP4 purified from urine of tubular proteinuria patients was purchased from Fitzgerald Industries International. It was biotinylated u...				US Patent US9777010 (2017) BindingDB Entry DOI: 10.7270/Q22J6F0D
					More data for this Ligand-Target Pair
Retinol-binding protein 4 (Homo sapiens (Human))	BDBM249469 (US10072016, Compound 68 | US10407433, Compound 68 ...) Show SMILES COC(=O)N1CCc2[nH]nc(C(=O)N3CCC(CC3)c3cccc(F)c3C(F)(F)F)c2C1 Show InChI InChI=1S/C21H22F4N4O3/c1-32-20(31)29-10-7-16-14(11-29)18(27-26-16)19(30)28-8-5-12(6-9-28)13-3-2-4-15(22)17(13)21(23,24)25/h2-4,12H,5-11H2,1H3,(H,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	<1.37	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2VQ36M9
					More data for this Ligand-Target Pair
Retinol-binding protein 4 (Homo sapiens (Human))	BDBM249469 (US10072016, Compound 68 | US10407433, Compound 68 ...) Show SMILES COC(=O)N1CCc2[nH]nc(C(=O)N3CCC(CC3)c3cccc(F)c3C(F)(F)F)c2C1 Show InChI InChI=1S/C21H22F4N4O3/c1-32-20(31)29-10-7-16-14(11-29)18(27-26-16)19(30)28-8-5-12(6-9-28)13-3-2-4-15(22)17(13)21(23,24)25/h2-4,12H,5-11H2,1H3,(H,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1.37	n/a	n/a	n/a	n/a	n/a	n/a
The Trustees of Columbia University in the City of New York US Patent					Assay Description Untagged human RBP4 purified from urine of tubular proteinuria patients was purchased from Fitzgerald Industries International. It was biotinylated u...				US Patent US10913746 (2021) BindingDB Entry DOI: 10.7270/Q2HX1GS2
					More data for this Ligand-Target Pair
Retinol-binding protein 4 (Homo sapiens (Human))	BDBM249469 (US10072016, Compound 68 | US10407433, Compound 68 ...) Show SMILES COC(=O)N1CCc2[nH]nc(C(=O)N3CCC(CC3)c3cccc(F)c3C(F)(F)F)c2C1 Show InChI InChI=1S/C21H22F4N4O3/c1-32-20(31)29-10-7-16-14(11-29)18(27-26-16)19(30)28-8-5-12(6-9-28)13-3-2-4-15(22)17(13)21(23,24)25/h2-4,12H,5-11H2,1H3,(H,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1.37	n/a	n/a	n/a	n/a	7.5	n/a
THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK US Patent					Assay Description Binding of a desired RBP4 antagonist displaces retinol and induces hindrance for RBP4-TTR interaction resulting in the decreased FRET signal (FIG. 7)...				US Patent US10072016 (2018) BindingDB Entry DOI: 10.7270/Q2QJ7KBT
					More data for this Ligand-Target Pair
Retinol-binding protein 4 (Homo sapiens (Human))	BDBM249469 (US10072016, Compound 68 | US10407433, Compound 68 ...) Show SMILES COC(=O)N1CCc2[nH]nc(C(=O)N3CCC(CC3)c3cccc(F)c3C(F)(F)F)c2C1 Show InChI InChI=1S/C21H22F4N4O3/c1-32-20(31)29-10-7-16-14(11-29)18(27-26-16)19(30)28-8-5-12(6-9-28)13-3-2-4-15(22)17(13)21(23,24)25/h2-4,12H,5-11H2,1H3,(H,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1.37	n/a	n/a	n/a	n/a	n/a	n/a
The Trustees of Columbia University In The City of New York US Patent					Assay Description Untagged human RBP4 purified from urine of tubular proteinuria patients was purchased from Fitzgerald Industries International. It was biotinylated u...				US Patent US10407433 (2019) BindingDB Entry DOI: 10.7270/Q2W95CKV
					More data for this Ligand-Target Pair
Retinol-binding protein 4 (Homo sapiens (Human))	BDBM249469 (US10072016, Compound 68 | US10407433, Compound 68 ...) Show SMILES COC(=O)N1CCc2[nH]nc(C(=O)N3CCC(CC3)c3cccc(F)c3C(F)(F)F)c2C1 Show InChI InChI=1S/C21H22F4N4O3/c1-32-20(31)29-10-7-16-14(11-29)18(27-26-16)19(30)28-8-5-12(6-9-28)13-3-2-4-15(22)17(13)21(23,24)25/h2-4,12H,5-11H2,1H3,(H,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1.37	n/a	n/a	n/a	n/a	7.4	4
THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK US Patent					Assay Description Untagged human RBP4 purified from urine of tubular proteinuria patients was purchased from Fitzgerald Industries International. It was biotinylated u...				US Patent US9434727 (2016) BindingDB Entry DOI: 10.7270/Q2F76BGR
					More data for this Ligand-Target Pair
Retinol-binding protein 4 (Homo sapiens (Human))	BDBM249469 (US10072016, Compound 68 | US10407433, Compound 68 ...) Show SMILES COC(=O)N1CCc2[nH]nc(C(=O)N3CCC(CC3)c3cccc(F)c3C(F)(F)F)c2C1 Show InChI InChI=1S/C21H22F4N4O3/c1-32-20(31)29-10-7-16-14(11-29)18(27-26-16)19(30)28-8-5-12(6-9-28)13-3-2-4-15(22)17(13)21(23,24)25/h2-4,12H,5-11H2,1H3,(H,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	36.2	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2VQ36M9
					More data for this Ligand-Target Pair
Retinol-binding protein 4 (Homo sapiens (Human))	BDBM249469 (US10072016, Compound 68 | US10407433, Compound 68 ...) Show SMILES COC(=O)N1CCc2[nH]nc(C(=O)N3CCC(CC3)c3cccc(F)c3C(F)(F)F)c2C1 Show InChI InChI=1S/C21H22F4N4O3/c1-32-20(31)29-10-7-16-14(11-29)18(27-26-16)19(30)28-8-5-12(6-9-28)13-3-2-4-15(22)17(13)21(23,24)25/h2-4,12H,5-11H2,1H3,(H,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	36.2	n/a	n/a	n/a	n/a	7.5	4
THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK US Patent					Assay Description TR-FRET assay for retinol-induced RBP4-TTR interaction Binding of a desired RBP4 antagonist displaces retinol and induces hindrance for RBP4-TTR inte...				US Patent US9434727 (2016) BindingDB Entry DOI: 10.7270/Q2F76BGR
					More data for this Ligand-Target Pair