Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Melanocortin receptor 4' and Ligand = 'BDBM50174889'   

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))	BDBM50174889 (CHEMBL434186 | X2-Apc-DPhe-Arg-Trp-Z2-NH2) Show SMILES CCCCNC(=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)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O |wU:23.24,34.36,11.14,8.7,wD:8.21,45.47,(-9.89,-36.28,;-9.89,-37.81,;-8.57,-38.59,;-7.23,-37.82,;-5.9,-38.6,;-4.57,-37.82,;-4.57,-36.29,;-3.23,-38.6,;-1.88,-37.82,;-.55,-37.06,;-.54,-35.53,;-1.87,-34.75,;-3.2,-35.52,;-3.21,-37.06,;-1.87,-33.22,;-.53,-32.46,;-.52,-30.93,;-1.85,-30.15,;-3.19,-30.92,;-3.19,-32.46,;-.55,-38.6,;-.55,-40.14,;.79,-37.82,;2.13,-38.6,;2.13,-40.14,;3.45,-40.91,;3.45,-42.46,;4.79,-43.22,;6.13,-42.46,;6.12,-40.91,;4.78,-40.14,;3.45,-37.82,;3.45,-36.29,;4.79,-38.6,;6.13,-37.82,;6.13,-36.29,;7.47,-35.51,;7.47,-33.96,;8.81,-33.2,;8.81,-31.65,;10.15,-30.87,;7.47,-30.87,;7.47,-38.6,;7.47,-40.14,;8.81,-37.82,;10.15,-38.6,;10.15,-40.14,;11.49,-40.91,;12.82,-40.13,;13.93,-41.42,;13.16,-42.76,;13.64,-44.23,;12.61,-45.37,;11.1,-45.05,;10.62,-43.58,;11.66,-42.44,;11.49,-37.82,;11.49,-36.29,;12.82,-38.6,;14.16,-37.82,;15.49,-38.58,;16.81,-37.81,;15.49,-40.12,)| Show InChI InChI=1S/C46H61N11O6/c1-2-3-24-51-45(63)57-46(22-20-32(21-23-46)31-15-8-5-9-16-31)43(62)56-37(26-30-13-6-4-7-14-30)42(61)54-36(19-12-25-50-44(48)49)41(60)55-38(40(59)53-29-39(47)58)27-33-28-52-35-18-11-10-17-34(33)35/h4-11,13-18,28,32,36-38,52H,2-3,12,19-27,29H2,1H3,(H2,47,58)(H,53,59)(H,54,61)(H,55,60)(H,56,62)(H4,48,49,50)(H2,51,57,63)/t32-,36-,37+,38-,46+/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	2	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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