BDBM50230827 CHEMBL253364::MK-9

SMILES: 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](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(N)=O

InChI Key: InChIKey=VFKSOTPIQWLTBE-DIEXDCLBSA-N

Data: 1 KI

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50230827   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Melanocortin receptor 3 (Homo sapiens (Human))	BDBM50230827 (CHEMBL253364 | MK-9) Show SMILES 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](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(N)=O |wU:15.15,11.70,1.0,wD:55.59,29.31,40.42,(27.17,-1.13,;27.07,-2.65,;28.33,-3.52,;29.72,-2.86,;30.99,-3.74,;30.88,-5.27,;34.1,-3.27,;34.1,-4.94,;32.82,-5.79,;32.91,-7.32,;31.62,-8.17,;31.71,-9.71,;30.43,-10.56,;29.05,-9.87,;28.96,-8.33,;27.77,-10.72,;27.85,-12.26,;29.23,-12.95,;30.52,-12.09,;31.55,-13.24,;31.01,-14.69,;31.57,-16.11,;30.62,-17.3,;29.09,-17.08,;28.54,-15.65,;29.5,-14.45,;26.39,-10.03,;25.1,-10.87,;25.19,-12.41,;23.31,-10.55,;22.46,-11.84,;23.15,-13.22,;22.31,-14.51,;22.98,-15.89,;22.14,-17.18,;22.82,-18.57,;20.6,-17.1,;23.48,-9.02,;22.63,-7.74,;24.03,-7.12,;21.38,-6.85,;19.97,-7.47,;19.82,-9.01,;21.06,-9.91,;20.91,-11.42,;19.5,-12.06,;19.36,-13.58,;17.96,-14.22,;16.7,-13.32,;16.85,-11.79,;18.26,-11.15,;18.41,-9.62,;21.5,-5.31,;22.89,-4.64,;24.16,-5.51,;23.01,-3.11,;21.74,-2.23,;20.35,-2.9,;20.06,-4.41,;18.55,-4.61,;17.87,-3.22,;18.99,-2.17,;24.4,-2.45,;25.68,-3.32,;25.55,-4.85,;33.09,-10.4,;33.18,-11.94,;34.38,-9.55,)| Show InChI InChI=1S/C47H60N14O7/c48-33-16-17-40(62)53-18-6-5-12-35(41(49)63)57-45(67)38(22-30-24-55-34-11-4-3-10-32(30)34)61-43(65)36(13-7-19-54-47(50)51)58-44(66)37(21-27-14-15-28-8-1-2-9-29(28)20-27)60-46(68)39(59-42(33)64)23-31-25-52-26-56-31/h1-4,8-11,14-15,20,24-26,33,35-39,55H,5-7,12-13,16-19,21-23,48H2,(H2,49,63)(H,52,56)(H,53,62)(H,57,67)(H,58,66)(H,59,64)(H,60,68)(H,61,65)(H4,50,51,54)/t33-,35-,36-,37-,38+,39-/m0/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Arizona Curated by ChEMBL					Assay Description Displacement of [125I][Nle4,D-Phe7]alpha-MSH from human MC3 receptor expressed in HEK293 cells				J Med Chem 51: 187-95 (2008) Article DOI: 10.1021/jm070461w BindingDB Entry DOI: 10.7270/Q2V125N2
					More data for this Ligand-Target Pair