Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Melanocortin receptor 3' and Ligand = 'BDBM50258947'   

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)	BDBM50258947 (CHEMBL4078828) Show SMILES [H][C@@]12CCCN1C(=O)[C@@]1([H])CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(N)=N)NC2=O |r| Show InChI InChI=1S/C52H66N12O11/c53-42(65)30-38-48(72)57-35(22-23-43(66)67)45(69)62-39(29-33-17-8-3-9-18-33)50(74)64-26-12-21-41(64)51(75)63-25-11-20-40(63)49(73)58-34(19-10-24-56-52(54)55)44(68)59-36(27-31-13-4-1-5-14-31)46(70)60-37(47(71)61-38)28-32-15-6-2-7-16-32/h1-9,13-18,34-41H,10-12,19-30H2,(H2,53,65)(H,57,72)(H,58,73)(H,59,68)(H,60,70)(H,61,71)(H,62,69)(H,66,67)(H4,54,55,56)/t34-,35-,36-,37-,38-,39-,40-,41+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Agonist activity at mouse melanocortin receptor 3 expressed in HEK293 cells assessed as increase in cAMP accumulation after 2 hrs by AlphaScreen assa...				J Med Chem 60: 8103-8114 (2017) Article DOI: 10.1021/acs.jmedchem.7b00856 BindingDB Entry DOI: 10.7270/Q2DN47H1
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