Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Melanocortin receptor 5' and Ligand = 'BDBM50268800'   

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 5 (Homo sapiens (Human))	BDBM50268800 (Ac-Nle-c[Asp-His-DNal(2')-cis-4-guanidinyl-Pro-Trp...) Show SMILES CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2C[C@H](CN2C(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)N=C(N)N)C(N)=O |r,wU:46.49,21.81,12.11,4.4,39.45,wD:61.66,25.25,41.77,(17.08,-28.2,;15.72,-27.49,;15.65,-25.95,;14.29,-25.23,;14.22,-23.7,;15.52,-22.87,;15.46,-21.33,;16.76,-20.51,;14.09,-20.62,;12.85,-22.98,;12.79,-21.44,;11.56,-23.81,;10.19,-23.09,;8.89,-23.93,;8.95,-25.47,;10.32,-26.17,;7.66,-26.29,;6.29,-25.58,;4.99,-26.4,;3.62,-25.69,;2.33,-26.52,;.96,-25.8,;.9,-24.26,;-.47,-23.55,;-1.77,-24.38,;-.53,-22.01,;-1.9,-21.3,;-1.97,-19.76,;-.75,-18.81,;-1.29,-17.36,;-2.83,-17.43,;-3.91,-16.34,;-5.39,-16.73,;-5.79,-18.22,;-4.71,-19.3,;-3.24,-18.91,;.77,-21.19,;1.43,-22.26,;1.77,-23.81,;2.13,-21.9,;2.76,-23.47,;4.3,-23.41,;4.72,-21.93,;3.43,-21.07,;3.37,-19.54,;2,-18.82,;4.67,-18.71,;4.6,-17.17,;3.24,-16.46,;1.94,-17.29,;.57,-16.58,;.5,-15.04,;-.85,-14.32,;-.92,-12.79,;.39,-11.96,;1.75,-12.68,;1.81,-14.22,;3.17,-14.92,;6.03,-19.42,;7.33,-18.6,;7.26,-17.05,;8.7,-19.3,;10,-18.48,;9.94,-16.94,;11.15,-15.99,;10.63,-14.55,;9.09,-14.6,;8.66,-16.08,;8.76,-20.84,;10.13,-21.56,;11.43,-20.73,;5.25,-24.61,;6.76,-24.38,;7.52,-24.99,;7.32,-22.97,;-.34,-26.63,;-1.71,-25.91,;-.27,-28.17,)| Show InChI InChI=1S/C54H69N15O9/c1-3-4-14-40(62-30(2)70)48(73)66-43-25-46(71)59-19-10-9-16-39(47(55)72)64-49(74)41(22-34-26-60-38-15-8-7-13-37(34)38)67-52(77)45-24-36(63-54(56)57)28-69(45)53(78)44(21-31-17-18-32-11-5-6-12-33(32)20-31)68-50(75)42(65-51(43)76)23-35-27-58-29-61-35/h5-8,11-13,15,17-18,20,26-27,29,36,39-45,60H,3-4,9-10,14,16,19,21-25,28H2,1-2H3,(H2,55,72)(H,58,61)(H,59,71)(H,62,70)(H,64,74)(H,65,76)(H,66,73)(H,67,77)(H,68,75)(H4,56,57,63)/t36-,39+,40+,41+,42+,43+,44-,45+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	<0.100	n/a	n/a	n/a	n/a
University of Arizona Curated by ChEMBL					Assay Description Agonist activity at human MC5R expressed in HEK293 cells assessed as stimulation of intracellular cAMP level				J Med Chem 52: 3627-35 (2009) Article DOI: 10.1021/jm801300c BindingDB Entry DOI: 10.7270/Q2D21ZJ5
					More data for this Ligand-Target Pair