BDBM50161487 CHEMBL3786516

SMILES: COc1ccc2CC(CCc2c1)NC(=O)N(C)C

InChI Key: InChIKey=YVCCXIBZEQRHMW-UHFFFAOYSA-N

Data: 3 KI  3 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 6 hits for monomerid = 50161487   

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
Acetylcholinesterase (Homo sapiens (Human))	BDBM50161487 (CHEMBL3786516) Show SMILES COc1ccc2CC(CCc2c1)NC(=O)N(C)C Show InChI InChI=1S/C16H16N2O3S/c17-9-11-21-14-7-6-13-8-10-18(16(13)12-14)22(19,20)15-4-2-1-3-5-15/h1-8,10,12H,9,11,17H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.670	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Erzurum Technical University Curated by ChEMBL					Assay Description Inhibition of AChE (unknown origin) using acetylcholine iodate as substrate preincubated for 10 mins followed by substrate addition by Lineweaver-Bur...				Bioorg Med Chem 24: 2318-29 (2016) BindingDB Entry DOI: 10.7270/Q2930W3J
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50161487 (CHEMBL3786516) Show SMILES COc1ccc2CC(CCc2c1)NC(=O)N(C)C Show InChI InChI=1S/C16H16N2O3S/c17-9-11-21-14-7-6-13-8-10-18(16(13)12-14)22(19,20)15-4-2-1-3-5-15/h1-8,10,12H,9,11,17H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Erzurum Technical University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2 using 4-nitrophenylacetate as substrate by Lineweaver-Burk plot analysis				Bioorg Med Chem 24: 2318-29 (2016) BindingDB Entry DOI: 10.7270/Q2930W3J
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50161487 (CHEMBL3786516) Show SMILES COc1ccc2CC(CCc2c1)NC(=O)N(C)C Show InChI InChI=1S/C16H16N2O3S/c17-9-11-21-14-7-6-13-8-10-18(16(13)12-14)22(19,20)15-4-2-1-3-5-15/h1-8,10,12H,9,11,17H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Erzurum Technical University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 1 using 4-nitrophenylacetate as substrate by Lineweaver-Burk plot analysis				Bioorg Med Chem 24: 2318-29 (2016) BindingDB Entry DOI: 10.7270/Q2930W3J
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50161487 (CHEMBL3786516) Show SMILES COc1ccc2CC(CCc2c1)NC(=O)N(C)C Show InChI InChI=1S/C16H16N2O3S/c17-9-11-21-14-7-6-13-8-10-18(16(13)12-14)22(19,20)15-4-2-1-3-5-15/h1-8,10,12H,9,11,17H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	8.20	n/a	n/a	n/a	n/a	n/a	n/a
Erzurum Technical University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 1 using 4-nitrophenylacetate as substrate by spectrophotometric analysis				Bioorg Med Chem 24: 2318-29 (2016) BindingDB Entry DOI: 10.7270/Q2930W3J
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50161487 (CHEMBL3786516) Show SMILES COc1ccc2CC(CCc2c1)NC(=O)N(C)C Show InChI InChI=1S/C16H16N2O3S/c17-9-11-21-14-7-6-13-8-10-18(16(13)12-14)22(19,20)15-4-2-1-3-5-15/h1-8,10,12H,9,11,17H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Erzurum Technical University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2 using 4-nitrophenylacetate as substrate by spectrophotometric analysis				Bioorg Med Chem 24: 2318-29 (2016) BindingDB Entry DOI: 10.7270/Q2930W3J
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50161487 (CHEMBL3786516) Show SMILES COc1ccc2CC(CCc2c1)NC(=O)N(C)C Show InChI InChI=1S/C16H16N2O3S/c17-9-11-21-14-7-6-13-8-10-18(16(13)12-14)22(19,20)15-4-2-1-3-5-15/h1-8,10,12H,9,11,17H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Erzurum Technical University Curated by ChEMBL					Assay Description Inhibition of AChE (unknown origin) using acetylcholine iodate as substrate preincubated for 10 mins followed by substrate addition by Ellman's metho...				Bioorg Med Chem 24: 2318-29 (2016) BindingDB Entry DOI: 10.7270/Q2930W3J
					More data for this Ligand-Target Pair