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 = 'BDBM258829'   

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))	BDBM258829 (US9499482, 264) Show SMILES O[C@H]1CCN(CCn2ncc3cc(ccc23)N2CC=C(Oc3ccc(cc3)C3CC3)C2=O)C1 |r,t:20| Show InChI InChI=1S/C26H28N4O3/c31-22-9-11-28(17-22)13-14-30-24-8-5-21(15-20(24)16-27-30)29-12-10-25(26(29)32)33-23-6-3-19(4-7-23)18-1-2-18/h3-8,10,15-16,18,22,31H,1-2,9,11-14,17H2/t22-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.800	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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