BDBM50152796 1,2,3,4-Tetrahydro-isoquinoline-3-carboxylic acid [(R)-2-(4-{2-[1-(4-amino-cyclohexylamino)-ethyl]-phenyl}-piperazin-1-yl)-1-(4-chloro-benzyl)-2-oxo-ethyl]-amide::CHEMBL366321

SMILES: CC(NC1CCC(N)CC1)c1ccccc1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@H]1Cc2ccccc2CN1

InChI Key: InChIKey=RRSAQPDQQFYIRY-YXKAALAFSA-N

Data: 1 KI  1 EC50

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 2 hits for monomerid = 50152796   

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 4 (Homo sapiens (Human))	BDBM50152796 (1,2,3,4-Tetrahydro-isoquinoline-3-carboxylic acid ...) Show SMILES CC(NC1CCC(N)CC1)c1ccccc1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@H]1Cc2ccccc2CN1 |wU:24.36,36.39,(-2.68,1.48,;-4,2.25,;-4,3.77,;-5.35,4.52,;-5.37,6.09,;-6.7,6.83,;-8.04,6.07,;-9.36,6.81,;-8.02,4.52,;-6.67,3.75,;-5.33,1.48,;-6.67,2.24,;-8.02,1.48,;-8.02,-.05,;-6.67,-.81,;-5.33,-.05,;-4,-.81,;-4,-2.34,;-2.66,-3.09,;-1.31,-2.34,;-1.31,-.81,;-2.66,-.05,;.01,-3.09,;.01,-4.62,;1.37,-2.35,;1.37,-.81,;2.12,.5,;1.33,1.8,;2.1,3.12,;3.65,3.15,;4.39,4.48,;4.45,1.83,;3.67,.51,;2.7,-3.12,;4.04,-2.35,;4.04,-.84,;5.39,-3.12,;6.71,-2.37,;8.06,-3.14,;9.38,-2.37,;10.72,-3.14,;10.72,-4.67,;9.38,-5.43,;8.06,-4.66,;6.71,-5.41,;5.38,-4.65,)| Show InChI InChI=1S/C37H47ClN6O2/c1-25(41-31-16-14-30(39)15-17-31)32-8-4-5-9-35(32)43-18-20-44(21-19-43)37(46)34(22-26-10-12-29(38)13-11-26)42-36(45)33-23-27-6-2-3-7-28(27)24-40-33/h2-13,25,30-31,33-34,40-41H,14-24,39H2,1H3,(H,42,45)/t25?,30?,31?,33-,34-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences, Inc. Curated by ChEMBL					Assay Description Displacement of [125I]NDP-MSH from HEK293 cells expressing human melanocortin-4 receptor				Bioorg Med Chem Lett 14: 4417-23 (2004) Article DOI: 10.1016/j.bmcl.2004.06.059 BindingDB Entry DOI: 10.7270/Q2251HPH
					More data for this Ligand-Target Pair
Melanocortin receptor 4 (Homo sapiens (Human))	BDBM50152796 (1,2,3,4-Tetrahydro-isoquinoline-3-carboxylic acid ...) Show SMILES CC(NC1CCC(N)CC1)c1ccccc1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@H]1Cc2ccccc2CN1 |wU:24.36,36.39,(-2.68,1.48,;-4,2.25,;-4,3.77,;-5.35,4.52,;-5.37,6.09,;-6.7,6.83,;-8.04,6.07,;-9.36,6.81,;-8.02,4.52,;-6.67,3.75,;-5.33,1.48,;-6.67,2.24,;-8.02,1.48,;-8.02,-.05,;-6.67,-.81,;-5.33,-.05,;-4,-.81,;-4,-2.34,;-2.66,-3.09,;-1.31,-2.34,;-1.31,-.81,;-2.66,-.05,;.01,-3.09,;.01,-4.62,;1.37,-2.35,;1.37,-.81,;2.12,.5,;1.33,1.8,;2.1,3.12,;3.65,3.15,;4.39,4.48,;4.45,1.83,;3.67,.51,;2.7,-3.12,;4.04,-2.35,;4.04,-.84,;5.39,-3.12,;6.71,-2.37,;8.06,-3.14,;9.38,-2.37,;10.72,-3.14,;10.72,-4.67,;9.38,-5.43,;8.06,-4.66,;6.71,-5.41,;5.38,-4.65,)| Show InChI InChI=1S/C37H47ClN6O2/c1-25(41-31-16-14-30(39)15-17-31)32-8-4-5-9-35(32)43-18-20-44(21-19-43)37(46)34(22-26-10-12-29(38)13-11-26)42-36(45)33-23-27-6-2-3-7-28(27)24-40-33/h2-13,25,30-31,33-34,40-41H,14-24,39H2,1H3,(H,42,45)/t25?,30?,31?,33-,34-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	34	n/a	n/a	n/a	n/a
Neurocrine Biosciences, Inc. Curated by ChEMBL					Assay Description Effective concentration against cAMP release in CHO cells expressing human melanocortin-4 receptor				Bioorg Med Chem Lett 14: 4417-23 (2004) Article DOI: 10.1016/j.bmcl.2004.06.059 BindingDB Entry DOI: 10.7270/Q2251HPH
					More data for this Ligand-Target Pair