Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Melanin-concentrating hormone receptor 1 [E4Q,A5T]' and Ligand = 'BDBM258773'   

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
Melanin-concentrating hormone receptor 1 [E4Q,A5T] (Homo sapiens (Human))	BDBM258773 (US9499482, 173) Show SMILES CCc1cc(ccc1OCCN1CC[C@H](O)C1)N1CC=C(Oc2ccc(cc2)C2CC2)C1=O |r,t:21| Show InChI InChI=1S/C27H32N2O4/c1-2-19-17-22(7-10-25(19)32-16-15-28-13-11-23(30)18-28)29-14-12-26(27(29)31)33-24-8-5-21(6-9-24)20-3-4-20/h5-10,12,17,20,23,30H,2-4,11,13-16,18H2,1H3/t23-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.900	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Bristol-Myers Squibb Company US Patent					Assay Description An in vitro binding assay was used to determine the compound Ki value or ability to antagonize binding of a peptide agonist to the human melanin conc...				US Patent US9499482 (2016) BindingDB Entry DOI: 10.7270/Q2M907KT
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