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 = 'BDBM258825'   

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))	BDBM258825 (US9499482, 260) Show SMILES OC[C@H]1CCCN1CCn1ncc2cc(ccc12)N1CC=C(Oc2ccc(cc2)C2CC2)C1=O |r,t:23| Show InChI InChI=1S/C27H30N4O3/c32-18-23-2-1-12-29(23)14-15-31-25-10-7-22(16-21(25)17-28-31)30-13-11-26(27(30)33)34-24-8-5-20(6-9-24)19-3-4-19/h5-11,16-17,19,23,32H,1-4,12-15,18H2/t23-/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.600	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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