BDBM50166550 CHEMBL194122::Octane-1-sulfonic acid {4-[(4-dimethylamino-quinazolin-2-ylamino)-methyl]-cyclohexylmethyl}-amide

SMILES: CCCCCCCCS(=O)(=O)NCC1CCC(CNc2nc(N(C)C)c3ccccc3n2)CC1

InChI Key: InChIKey=FSZMHDDJNFQDCT-UHFFFAOYSA-N

Data: 1 IC50

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 = 50166550   

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
Melanin-concentrating hormone receptor (Homo sapiens (Human))	BDBM50166550 (CHEMBL194122 | Octane-1-sulfonic acid {4-[(4-dimet...) Show SMILES CCCCCCCCS(=O)(=O)NCC1CCC(CNc2nc(N(C)C)c3ccccc3n2)CC1 |(10.62,-2.67,;9.27,-3.4,;7.96,-2.6,;6.61,-3.33,;5.29,-2.53,;3.94,-3.25,;2.64,-2.45,;1.27,-3.18,;-.04,-2.36,;-1.13,-3.46,;.72,-1.03,;-1.37,-1.59,;-2.7,-2.36,;-4.03,-1.57,;-4.03,-.03,;-5.36,.75,;-6.69,-.02,;-8.01,.75,;-9.34,-.01,;-10.67,.75,;-10.67,2.3,;-12.02,3.08,;-12.03,4.62,;-13.42,5.26,;-10.74,5.45,;-13.35,2.3,;-14.69,3.06,;-16.02,2.29,;-16.02,.74,;-14.69,-.03,;-13.35,.74,;-12.01,-.03,;-6.69,-1.56,;-5.36,-2.34,)| Show InChI InChI=1S/C26H43N5O2S/c1-4-5-6-7-8-11-18-34(32,33)28-20-22-16-14-21(15-17-22)19-27-26-29-24-13-10-9-12-23(24)25(30-26)31(2)3/h9-10,12-13,21-22,28H,4-8,11,14-20H2,1-3H3,(H,27,29,30)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Taisho Pharmaceutical Co. Ltd Curated by ChEMBL					Assay Description Inhibitory activity against mutated constitutively activated human Melanin concentrating hormone receptor 1 (CA-MCH-R1) stably expressed in HEK293 ce...				Bioorg Med Chem Lett 15: 2565-9 (2005) Article DOI: 10.1016/j.bmcl.2005.03.052 BindingDB Entry DOI: 10.7270/Q2Z89BXQ
					More data for this Ligand-Target Pair