Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Melanocortin receptor 4' and Ligand = 'BDBM50250211'   

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 4 (Homo sapiens (Human))	BDBM50250211 (CHEMBL4100221) Show SMILES CSCC[C@H](NC(=O)[C@@H]1Cc2cn(C[C@H](NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](Cc3cnc[nH]3)C(=O)N[C@H](Cc3ccccc3)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N1)nn2)C(O)=O |r| Show InChI InChI=1S/C43H65N17O9S/c1-24-35(61)54-33(39(65)53-30(42(68)69)13-16-70-2)19-27-21-60(59-58-27)22-34(57-36(62)28(45)11-6-7-14-44)41(67)56-32(18-26-20-48-23-50-26)40(66)55-31(17-25-9-4-3-5-10-25)38(64)52-29(37(63)51-24)12-8-15-49-43(46)47/h3-5,9-10,20-21,23-24,28-34H,6-8,11-19,22,44-45H2,1-2H3,(H,48,50)(H,51,63)(H,52,64)(H,53,65)(H,54,61)(H,55,66)(H,56,67)(H,57,62)(H,68,69)(H4,46,47,49)/t24-,28-,29-,30-,31+,32-,33-,34-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	>3.00E+3	n/a	n/a	n/a	n/a
CECB, Department of Chemistry, University of Copenhagen , Universitetsparken 5, 2100 Copenhagen, Denmark. Curated by ChEMBL					Assay Description Agonist activity at EYFP-fused human MC4R expressed in HEK293 cells assessed as increase in cAMP accumulation after 30 mins by luminescent enzymatic ...				J Med Chem 60: 8716-8730 (2017) Article DOI: 10.1021/acs.jmedchem.7b00353 BindingDB Entry DOI: 10.7270/Q2VQ3535
					More data for this Ligand-Target Pair
Melanocortin receptor 4 (Homo sapiens (Human))	BDBM50250211 (CHEMBL4100221) Show SMILES CSCC[C@H](NC(=O)[C@@H]1Cc2cn(C[C@H](NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](Cc3cnc[nH]3)C(=O)N[C@H](Cc3ccccc3)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N1)nn2)C(O)=O |r| Show InChI InChI=1S/C43H65N17O9S/c1-24-35(61)54-33(39(65)53-30(42(68)69)13-16-70-2)19-27-21-60(59-58-27)22-34(57-36(62)28(45)11-6-7-14-44)41(67)56-32(18-26-20-48-23-50-26)40(66)55-31(17-25-9-4-3-5-10-25)38(64)52-29(37(63)51-24)12-8-15-49-43(46)47/h3-5,9-10,20-21,23-24,28-34H,6-8,11-19,22,44-45H2,1-2H3,(H,48,50)(H,51,63)(H,52,64)(H,53,65)(H,54,61)(H,55,66)(H,56,67)(H,57,62)(H,68,69)(H4,46,47,49)/t24-,28-,29-,30-,31+,32-,33-,34-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	>3.00E+3	n/a	n/a	n/a	n/a
CECB, Department of Chemistry, University of Copenhagen , Universitetsparken 5, 2100 Copenhagen, Denmark. Curated by ChEMBL					Assay Description Agonist activity at EYFP-fused human MC4R expressed in HEK293 cells assessed as increase in cAMP accumulation after 30 mins by luminescent enzymatic ...				J Med Chem 60: 8716-8730 (2017) Article DOI: 10.1021/acs.jmedchem.7b00353 BindingDB Entry DOI: 10.7270/Q2VQ3535
					More data for this Ligand-Target Pair