Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Melanocortin receptor 4' and Ligand = 'BDBM50250201'   

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))	BDBM50250201 (CHEMBL4070639) Show SMILES CSCC[C@H](NC(=O)[C@@H]1Cc2cn(C[C@H](NC(=O)[C@H](C)N)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](Cc3c[nH]c4ccccc34)C(=O)N1)nn2)C(O)=O |r| Show InChI InChI=1S/C48H63N17O9S/c1-26(49)40(66)62-39-24-65-23-30(63-64-65)20-38(44(70)57-34(47(73)74)14-16-75-2)60-43(69)36(18-28-21-54-32-12-7-6-11-31(28)32)59-41(67)33(13-8-15-53-48(50)51)56-42(68)35(17-27-9-4-3-5-10-27)58-45(71)37(61-46(39)72)19-29-22-52-25-55-29/h3-7,9-12,21-23,25-26,33-39,54H,8,13-20,24,49H2,1-2H3,(H,52,55)(H,56,68)(H,57,70)(H,58,71)(H,59,67)(H,60,69)(H,61,72)(H,62,66)(H,73,74)(H4,50,51,53)/t26-,33-,34-,35+,36-,37-,38-,39-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2	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))	BDBM50250201 (CHEMBL4070639) Show SMILES CSCC[C@H](NC(=O)[C@@H]1Cc2cn(C[C@H](NC(=O)[C@H](C)N)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](Cc3c[nH]c4ccccc34)C(=O)N1)nn2)C(O)=O |r| Show InChI InChI=1S/C48H63N17O9S/c1-26(49)40(66)62-39-24-65-23-30(63-64-65)20-38(44(70)57-34(47(73)74)14-16-75-2)60-43(69)36(18-28-21-54-32-12-7-6-11-31(28)32)59-41(67)33(13-8-15-53-48(50)51)56-42(68)35(17-27-9-4-3-5-10-27)58-45(71)37(61-46(39)72)19-29-22-52-25-55-29/h3-7,9-12,21-23,25-26,33-39,54H,8,13-20,24,49H2,1-2H3,(H,52,55)(H,56,68)(H,57,70)(H,58,71)(H,59,67)(H,60,69)(H,61,72)(H,62,66)(H,73,74)(H4,50,51,53)/t26-,33-,34-,35+,36-,37-,38-,39-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.40	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