Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Melanocortin receptor 3' and Ligand = 'BDBM50266708'   

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)	BDBM50266708 (CHEMBL4102774) Show SMILES CC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r| Show InChI InChI=1S/C32H46IN11O5/c1-19(45)41-23(9-5-15-39-31(35)36)28(47)42-24(10-6-16-40-32(37)38)29(48)44-26(18-21-11-13-22(33)14-12-21)30(49)43-25(27(34)46)17-20-7-3-2-4-8-20/h2-4,7-8,11-14,23-26H,5-6,9-10,15-18H2,1H3,(H2,34,46)(H,41,45)(H,42,47)(H,43,49)(H,44,48)(H4,35,36,39)(H4,37,38,40)/t23-,24-,25-,26+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6.50E+3	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 MC3R expressed in HEK293 cells after 1 hr by gamma counting				J Med Chem 60: 4342-4357 (2017) Article DOI: 10.1021/acs.jmedchem.7b00301 BindingDB Entry DOI: 10.7270/Q24170J1
					More data for this Ligand-Target Pair
Melanocortin receptor 3 (Mus musculus)	BDBM50266708 (CHEMBL4102774) Show SMILES CC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r| Show InChI InChI=1S/C32H46IN11O5/c1-19(45)41-23(9-5-15-39-31(35)36)28(47)42-24(10-6-16-40-32(37)38)29(48)44-26(18-21-11-13-22(33)14-12-21)30(49)43-25(27(34)46)17-20-7-3-2-4-8-20/h2-4,7-8,11-14,23-26H,5-6,9-10,15-18H2,1H3,(H2,34,46)(H,41,45)(H,42,47)(H,43,49)(H,44,48)(H4,35,36,39)(H4,37,38,40)/t23-,24-,25-,26+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	540	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Agonist activity at mouse MC3R expressed in HEK293 cells assessed as induction of cAMP accumulation after 2 hrs by alpha screen assay				J Med Chem 60: 4342-4357 (2017) Article DOI: 10.1021/acs.jmedchem.7b00301 BindingDB Entry DOI: 10.7270/Q24170J1
					More data for this Ligand-Target Pair