BindingDB PrimarySearch

BDBM50178766 2-chloro-5,6,7,8,9,10-hexahydrocyclohepta[b]indole-6-carboxamide::2-chloro-5,6,7,8,9,10-hexahydrocyclohepta[b]indole-6-carboxylic acid amide::CHEMBL446446

SMILES: NC(=O)C1CCCCc2c1[nH]c1ccc(Cl)cc21

InChI Key: InChIKey=ABIVOOWWGYJNLV-UHFFFAOYSA-N

Data: 7 IC50

PDB links: 2 PDB IDs match this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 50178766
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Lymphocyte differentiation antigen CD38 (Homo sapiens (Human))	BDBM50178766 (2-chloro-5,6,7,8,9,10-hexahydrocyclohepta[b]indole...) Show SMILES NC(=O)C1CCCCc2c1[nH]c1ccc(Cl)cc21 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Elixir Pharmaceuticals Curated by ChEMBL					Assay Description Inhibitory activity against pig brain NAD glycohydrolase (NADase) by radiochemical Nicotinamide release assay				J Med Chem 48: 8045-54 (2005) Article DOI: 10.1021/jm050522v BindingDB Entry DOI: 10.7270/Q27D2TPK
Elixir Pharmaceuticals Curated by ChEMBL					More data for this Ligand-Target Pair
NAD-Dependent Deacetylase Sirtuin-1 (Homo sapiens (Human))	BDBM50178766 (2-chloro-5,6,7,8,9,10-hexahydrocyclohepta[b]indole...) Show SMILES NC(=O)C1CCCCc2c1[nH]c1ccc(Cl)cc21 Show InChI	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	652	n/a	n/a	n/a	n/a	n/a	n/a
Elixir Pharmaceuticals Curated by ChEMBL					Assay Description Inhibitory activity against human SIRT1 by radiochemical Nicotinamide release assay				J Med Chem 48: 8045-54 (2005) Article DOI: 10.1021/jm050522v BindingDB Entry DOI: 10.7270/Q27D2TPK
Elixir Pharmaceuticals Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
NAD-Dependent Deacetylase Sirtuin-1 (Homo sapiens (Human))	BDBM50178766 (2-chloro-5,6,7,8,9,10-hexahydrocyclohepta[b]indole...) Show SMILES NC(=O)C1CCCCc2c1[nH]c1ccc(Cl)cc21 Show InChI	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	124	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
Elixir Pharmaceuticals Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
NAD-Dependent Deacetylase Sirtuin-1 (Homo sapiens (Human))	BDBM50178766 (2-chloro-5,6,7,8,9,10-hexahydrocyclohepta[b]indole...) Show SMILES NC(=O)C1CCCCc2c1[nH]c1ccc(Cl)cc21 Show InChI	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	180	n/a	n/a	n/a	n/a	n/a	n/a
Institute Curated by ChEMBL					Assay Description Inhibition of human full length SIRT1 expressed in DE3 cells by fluorimetric assay				Bioorg Med Chem 17: 7031-41 (2009) Article DOI: 10.1016/j.bmc.2009.07.073 BindingDB Entry DOI: 10.7270/Q21V5FWG
Institute Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
NAD-dependent deacetylase sirtuin 2 (Homo sapiens (Human))	BDBM50178766 (2-chloro-5,6,7,8,9,10-hexahydrocyclohepta[b]indole...) Show SMILES NC(=O)C1CCCCc2c1[nH]c1ccc(Cl)cc21 Show InChI	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	2.77E+3	n/a	n/a	n/a	n/a	n/a	n/a
Elixir Pharmaceuticals Curated by ChEMBL					Assay Description Inhibitory activity against recombinant human SIRT2 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
Elixir Pharmaceuticals Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
NAD-dependent deacetylase HST2 (Saccharomyces cerevisiae)	BDBM50178766 (2-chloro-5,6,7,8,9,10-hexahydrocyclohepta[b]indole...) Show SMILES NC(=O)C1CCCCc2c1[nH]c1ccc(Cl)cc21 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Institute Curated by ChEMBL					Assay Description Inhibition of yeast Hst2 by fluorimetric assay				Bioorg Med Chem 17: 7031-41 (2009) Article DOI: 10.1016/j.bmc.2009.07.073 BindingDB Entry DOI: 10.7270/Q21V5FWG
Institute Curated by ChEMBL					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-3 (SIRT3) (Homo sapiens (Human))	BDBM50178766 (2-chloro-5,6,7,8,9,10-hexahydrocyclohepta[b]indole...) Show SMILES NC(=O)C1CCCCc2c1[nH]c1ccc(Cl)cc21 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Elixir Pharmaceuticals Curated by ChEMBL					Assay Description Inhibitory activity against recombinant human SIRT3 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
Elixir Pharmaceuticals Curated by ChEMBL					More data for this Ligand-Target Pair