Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Melanocortin receptor 3' and Ligand = 'BDBM50514457'   

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
Melanocortin receptor 3 (Mus musculus)	BDBM50514457 (CHEMBL4565367) Show SMILES [H][C@@]12CCCN1C(=O)[C@@]1([H])CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(N)=N)NC2=O)C(C)C |r| Show InChI InChI=1S/C51H68N12O8/c1-31(2)42-48(69)59-38(29-34-19-10-5-11-20-34)49(70)63-26-14-23-41(63)50(71)62-25-13-22-40(62)47(68)56-35(21-12-24-55-51(53)54)43(64)57-36(27-32-15-6-3-7-16-32)44(65)58-37(28-33-17-8-4-9-18-33)45(66)60-39(30-52)46(67)61-42/h3-11,15-20,31,35-42H,12-14,21-30,52H2,1-2H3,(H,56,68)(H,57,64)(H,58,65)(H,59,69)(H,60,66)(H,61,67)(H4,53,54,55)/t35-,36-,37-,38-,39-,40-,41+,42-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Displacement of [125I]-NDP-MSH from mouse melanocortin receptor 3 expressed in HEK293 cell mebranes incubated for 1 hr by automatic gamma counting me...				J Med Chem 63: 2194-2208 (2020) Article DOI: 10.1021/acs.jmedchem.9b00860 BindingDB Entry DOI: 10.7270/Q25142KG
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