Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Melanocyte-stimulating hormone receptor' and Ligand = 'BDBM50389775'   

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
Melanocyte-stimulating hormone receptor (Homo sapiens (Human))	BDBM50389775 (CHEMBL2070248) Show SMILES CCCCCCCCCCCCCCCC(=O)NCC(=O)NCC(=O)NCC(=O)NCC(=O)NCC(=O)N[C@@H](CCCC)C(=O)N[C@H]1CCC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2C[C@@H](O)CN2C1=O)C(N)=O |r,wU:46.45,96.104,85.87,74.76,56.108,wD:38.37,60.60,98.101,(3.21,-29.61,;1.67,-29.58,;.93,-28.23,;-.61,-28.21,;-1.36,-26.86,;-2.9,-26.83,;-3.69,-28.15,;-5.23,-28.13,;-6.02,-29.45,;-7.56,-29.42,;-8.31,-28.07,;-9.85,-28.04,;-10.6,-26.7,;-12.15,-26.67,;-12.94,-27.99,;-12.19,-29.34,;-10.64,-29.36,;-12.99,-30.66,;-12.24,-32,;-10.69,-32.03,;-9.9,-30.71,;-9.94,-33.38,;-8.4,-33.4,;-7.65,-34.74,;-6.11,-34.77,;-8.45,-36.07,;-7.7,-37.42,;-8.49,-38.73,;-10.02,-38.7,;-7.74,-40.08,;-8.53,-41.4,;-7.78,-42.75,;-6.24,-42.77,;-8.57,-44.07,;-7.82,-45.42,;-6.28,-45.44,;-5.49,-44.12,;-5.53,-46.78,;-4,-46.81,;-3.25,-48.16,;-4.04,-49.48,;-3.3,-50.83,;-4.09,-52.15,;-3.21,-45.49,;-3.95,-44.15,;-1.66,-45.52,;-.88,-44.2,;-1.45,-42.77,;-.41,-41.14,;-.42,-32.83,;-1.51,-31.74,;21.57,-32.78,;21.53,-37.98,;20.19,-38.73,;20.16,-40.27,;18.82,-41.02,;18.8,-42.56,;17.45,-43.31,;16.13,-42.52,;16.15,-40.98,;14.79,-43.27,;14.76,-44.81,;16.08,-45.6,;17.5,-44.99,;18.51,-46.15,;17.72,-47.47,;18.18,-48.94,;17.13,-50.07,;15.63,-49.74,;15.18,-48.26,;16.22,-47.13,;13.46,-42.48,;12.12,-43.23,;12.09,-44.77,;10.79,-42.45,;10.82,-40.9,;12.16,-40.15,;12.19,-38.61,;13.52,-37.86,;13.55,-36.32,;12.23,-35.53,;14.9,-35.57,;9.45,-43.19,;8.13,-42.41,;8.15,-40.86,;6.79,-43.15,;6.76,-44.7,;8.08,-45.49,;9.43,-44.73,;10.75,-45.52,;10.72,-47.06,;9.39,-47.81,;8.06,-47.02,;5.46,-42.36,;4.12,-43.12,;4.09,-44.65,;2.8,-42.33,;2.9,-40.77,;1.26,-40.42,;.58,-38.88,;.41,-41.86,;1.52,-43.13,;.65,-44.41,;1.32,-45.79,;20.12,-43.35,;21.47,-42.6,;20.1,-44.89,)| Show InChI InChI=1S/C74H114N18O15/c1-3-5-7-8-9-10-11-12-13-14-15-16-20-33-60(94)81-42-62(96)82-43-63(97)83-44-64(98)84-45-65(99)85-46-66(100)86-54(29-6-4-2)68(102)89-56-34-35-61(95)78-36-24-23-31-53(67(75)101)87-71(105)58(39-49-41-80-52-30-22-21-28-51(49)52)90-69(103)55(32-25-37-79-74(76)77)88-70(104)57(38-48-26-18-17-19-27-48)91-72(106)59-40-50(93)47-92(59)73(56)107/h17-19,21-22,26-28,30,41,50,53-59,80,93H,3-16,20,23-25,29,31-40,42-47H2,1-2H3,(H2,75,101)(H,78,95)(H,81,94)(H,82,96)(H,83,97)(H,84,98)(H,85,99)(H,86,100)(H,87,105)(H,88,104)(H,89,102)(H,90,103)(H,91,106)(H4,76,77,79)/t50-,53+,54+,55+,56+,57-,58+,59+/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novo Nordisk A/S Curated by ChEMBL					Assay Description Displacement of [125I]-NAD-alpha-MSH from human recombinant MC1 receptor expressed in BHK570 cells after 90 mins in presence of ovalbumin				J Med Chem 55: 1969-77 (2012) Article DOI: 10.1021/jm201489a BindingDB Entry DOI: 10.7270/Q2DN464P
					More data for this Ligand-Target Pair