BDBM50178775 (S)-2-chloro-5,6,7,8,9,10-hexahydrocyclohepta[b]indole-6-carboxamide::(S)-2-chloro-5,6,7,8,9,10-hexahydrocyclohepta[b]indole-6-carboxylic acid amide::CHEMBL198609

SMILES: NC(=O)[C@H]1CCCCc2c1[nH]c1ccc(Cl)cc21

InChI Key: InChIKey=ABIVOOWWGYJNLV-JTQLQIEISA-N

Data: 1 IC50

PDB links: 2 PDB IDs match this monomer.

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 = 50178775   

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
NAD-Dependent Deacetylase Sirtuin-1 (Homo sapiens (Human))	BDBM50178775 ((S)-2-chloro-5,6,7,8,9,10-hexahydrocyclohepta[b]in...) Show SMILES NC(=O)[C@H]1CCCCc2c1[nH]c1ccc(Cl)cc21 Show InChI InChI=1S/C14H15ClN2O/c15-8-5-6-12-11(7-8)9-3-1-2-4-10(14(16)18)13(9)17-12/h5-7,10,17H,1-4H2,(H2,16,18)/t10-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	63	n/a	n/a	n/a	n/a	n/a	n/a
Elixir Pharmaceuticals Curated by ChEMBL					Assay Description Inhibitory activity against recombinant human SIRT1 expressed in Escherichia coli by fluorimetric assay				J Med Chem 48: 8045-54 (2005) Article DOI: 10.1021/jm050522v BindingDB Entry DOI: 10.7270/Q27D2TPK
					More data for this Ligand-Target Pair				3D Structure (crystal)