Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Melanocortin receptor 4' and Ligand = 'BDBM50174877'   

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))	BDBM50174877 (Bu-Apc-DPhe-Arg-2-Nal-Z3-NH2 | CHEMBL369915) Show SMILES CCCC(=O)N[C@@]1(CC[C@@H](CC1)c1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)NC(Cc1ccc2ccccc2c1)C(=O)N[C@@H](C)C(N)=O |wU:21.22,32.34,9.12,6.5,58.63,wD:6.19,(-4.88,-3.48,;-3.55,-2.71,;-2.22,-3.49,;-.89,-2.71,;-.89,-1.18,;.46,-3.49,;1.8,-2.72,;3.12,-1.96,;3.13,-.43,;1.81,.35,;.47,-.42,;.47,-1.96,;1.82,1.87,;3.15,2.64,;3.15,4.18,;1.82,4.95,;.49,4.18,;.49,2.64,;3.13,-3.49,;3.13,-5.03,;4.46,-2.71,;5.8,-3.49,;5.8,-5.03,;7.13,-5.81,;7.12,-7.35,;8.46,-8.11,;9.8,-7.35,;9.8,-5.8,;8.46,-5.03,;7.13,-2.71,;7.13,-1.18,;8.47,-3.49,;9.8,-2.71,;9.8,-1.18,;11.14,-.4,;11.14,1.14,;12.48,1.91,;12.48,3.46,;13.82,4.23,;11.14,4.23,;11.14,-3.49,;11.14,-5.03,;12.48,-2.71,;13.82,-3.49,;13.82,-5.03,;15.15,-5.81,;16.48,-5.03,;17.82,-5.81,;17.82,-7.35,;19.15,-8.13,;19.15,-9.67,;17.8,-10.44,;16.47,-9.67,;16.48,-8.12,;15.14,-7.35,;15.15,-2.71,;15.15,-1.18,;16.49,-3.49,;17.82,-2.72,;17.81,-1.18,;19.15,-3.47,;20.48,-2.71,;19.15,-5.02,)| Show InChI InChI=1S/C48H61N9O6/c1-3-13-41(58)57-48(25-23-36(24-26-48)34-16-8-5-9-17-34)46(63)56-40(29-32-14-6-4-7-15-32)45(62)54-38(20-12-27-52-47(50)51)43(60)55-39(44(61)53-31(2)42(49)59)30-33-21-22-35-18-10-11-19-37(35)28-33/h4-11,14-19,21-22,28,31,36,38-40H,3,12-13,20,23-27,29-30H2,1-2H3,(H2,49,59)(H,53,61)(H,54,62)(H,55,60)(H,56,63)(H,57,58)(H4,50,51,52)/t31-,36-,38-,39?,40+,48+/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	220	n/a	n/a	n/a	n/a
Roche Research Center Curated by ChEMBL					Assay Description Agonist activity in HEK293 cells transfected with human MC4R by cAMP accumulation				Bioorg Med Chem Lett 15: 5504-8 (2005) Article DOI: 10.1016/j.bmcl.2005.08.083 BindingDB Entry DOI: 10.7270/Q2MC8ZK7
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