BDBM50085378 4-(Benzenesulfonylamino-methyl)-cyclohexanecarboxylic acid (7-hydroxy-3a,4,5,9b-tetrahydro-1H-benzo[e]indol-2-yl)-amide::CHEMBL304353

SMILES: Oc1ccc2C3CC(NC(=O)[C@H]4CC[C@H](CNS(=O)(=O)c5ccccc5)CC4)=NC3CCc2c1

InChI Key: InChIKey=HVTBHVAKSYJRJK-YTFADCBGSA-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 = 50085378   

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
Neuropeptide Y receptor type 5 ( NPY Y5) (Homo sapiens (Human))	BDBM50085378 (4-(Benzenesulfonylamino-methyl)-cyclohexanecarboxy...) Show SMILES Oc1ccc2C3CC(NC(=O)[C@H]4CC[C@H](CNS(=O)(=O)c5ccccc5)CC4)=NC3CCc2c1 |wU:11.10,wD:14.14,c:29,(-3.57,-2.98,;-2.22,-2.21,;-2.22,-.65,;-.89,.12,;.45,-.65,;1.78,.13,;2.1,1.64,;3.65,1.8,;4.42,3.13,;5.95,3.13,;6.72,4.48,;6.73,1.8,;8.26,1.8,;9.03,.46,;8.26,-.87,;9.03,-2.21,;10.58,-2.22,;11.35,-3.55,;10.02,-4.33,;12.68,-2.78,;12.11,-4.89,;13.63,-4.89,;14.39,-6.2,;13.62,-7.54,;12.09,-7.54,;11.32,-6.2,;6.72,-.87,;5.95,.46,;4.26,.39,;3.12,-.64,;3.12,-2.21,;1.78,-2.98,;.44,-2.2,;-.89,-2.98,)| Show InChI InChI=1S/C26H31N3O4S/c30-20-11-12-22-19(14-20)10-13-24-23(22)15-25(28-24)29-26(31)18-8-6-17(7-9-18)16-27-34(32,33)21-4-2-1-3-5-21/h1-5,11-12,14,17-18,23-24,27,30H,6-10,13,15-16H2,(H,28,29,31)/t17-,18-,23?,24?	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
The R. W. Johnson Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity for human Neuropeptide Y receptor type 5 in HEK293 cells				Bioorg Med Chem Lett 10: 213-6 (2000) BindingDB Entry DOI: 10.7270/Q2TT4RG7
					More data for this Ligand-Target Pair