Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'G-protein coupled receptor 4' and Ligand = 'BDBM123477'   

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
G-protein coupled receptor 4 (Homo sapiens (Human))	BDBM123477 (US8748435, 2) Show SMILES CCc1nn2c(C)cc(C)nc2c1Cc1ccc(\C=C\CC2(O)CN(C2)C(=O)OC(C)(C)C)cc1 Show InChI InChI=1S/C28H36N4O3/c1-7-24-23(25-29-19(2)15-20(3)32(25)30-24)16-22-12-10-21(11-13-22)9-8-14-28(34)17-31(18-28)26(33)35-27(4,5)6/h8-13,15,34H,7,14,16-18H2,1-6H3/b9-8+	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	34	n/a	n/a	n/a	n/a	8.0	n/a
Novartis AG US Patent					Assay Description Serial dilutions of compounds (stock in 10 mM DMSO) are prepared by first diluting the compounds in DMSO followed by a 1:50 dilution into assay buffe...				US Patent US8748435 (2014) BindingDB Entry DOI: 10.7270/Q2F18XDK
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