Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Melanocortin receptor 4' and Ligand = 'BDBM50250202'   

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))	BDBM50250202 (CHEMBL4074680) Show SMILES CSCC[C@H](NC(=O)[C@@H]1Cc2cn(C[C@H](NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)N[C@H](Cc3ccccc3)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc3cnc[nH]3)C(=O)N1)nn2)C(O)=O |r| Show InChI InChI=1S/C51H70N18O9S/c1-79-19-16-37(50(77)78)61-47(74)41-23-32-26-69(68-67-32)27-42(66-43(70)34(53)13-7-8-17-52)49(76)63-39(21-30-24-58-35-14-6-5-12-33(30)35)46(73)62-38(20-29-10-3-2-4-11-29)45(72)60-36(15-9-18-57-51(54)55)44(71)64-40(48(75)65-41)22-31-25-56-28-59-31/h2-6,10-12,14,24-26,28,34,36-42,58H,7-9,13,15-23,27,52-53H2,1H3,(H,56,59)(H,60,72)(H,61,74)(H,62,73)(H,63,76)(H,64,71)(H,65,75)(H,66,70)(H,77,78)(H4,54,55,57)/t34-,36-,37-,38+,39-,40-,41-,42-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem 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 after 16 to 20 hrs by CRE-driven reporter assay				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))	BDBM50250202 (CHEMBL4074680) Show SMILES CSCC[C@H](NC(=O)[C@@H]1Cc2cn(C[C@H](NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)N[C@H](Cc3ccccc3)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc3cnc[nH]3)C(=O)N1)nn2)C(O)=O |r| Show InChI InChI=1S/C51H70N18O9S/c1-79-19-16-37(50(77)78)61-47(74)41-23-32-26-69(68-67-32)27-42(66-43(70)34(53)13-7-8-17-52)49(76)63-39(21-30-24-58-35-14-6-5-12-33(30)35)46(73)62-38(20-29-10-3-2-4-11-29)45(72)60-36(15-9-18-57-51(54)55)44(71)64-40(48(75)65-41)22-31-25-56-28-59-31/h2-6,10-12,14,24-26,28,34,36-42,58H,7-9,13,15-23,27,52-53H2,1H3,(H,56,59)(H,60,72)(H,61,74)(H,62,73)(H,63,76)(H,64,71)(H,65,75)(H,66,70)(H,77,78)(H4,54,55,57)/t34-,36-,37-,38+,39-,40-,41-,42-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem 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