BDBM50354398 CHEMBL1836401

SMILES: COc1cccc(c1)C#Cc1ccc(cc1)S(N)(=O)=O

InChI Key: InChIKey=ZNPGUOAVCPGMFY-UHFFFAOYSA-N

Data: 4 KI

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 4 hits for monomerid = 50354398   

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
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50354398 (CHEMBL1836401) Show SMILES COc1cccc(c1)C#Cc1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C15H13NO3S/c1-19-14-4-2-3-13(11-14)6-5-12-7-9-15(10-8-12)20(16,17)18/h2-4,7-11H,1H3,(H2,16,17,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Alberta Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 12-catalyzed CO2 hydration activity by stopped flow assay				Bioorg Med Chem Lett 21: 5892-6 (2011) Article DOI: 10.1016/j.bmcl.2011.07.090 BindingDB Entry DOI: 10.7270/Q2Z60PFG
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50354398 (CHEMBL1836401) Show SMILES COc1cccc(c1)C#Cc1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C15H13NO3S/c1-19-14-4-2-3-13(11-14)6-5-12-7-9-15(10-8-12)20(16,17)18/h2-4,7-11H,1H3,(H2,16,17,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Alberta Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 9-catalyzed CO2 hydration activity by stopped flow assay				Bioorg Med Chem Lett 21: 5892-6 (2011) Article DOI: 10.1016/j.bmcl.2011.07.090 BindingDB Entry DOI: 10.7270/Q2Z60PFG
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50354398 (CHEMBL1836401) Show SMILES COc1cccc(c1)C#Cc1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C15H13NO3S/c1-19-14-4-2-3-13(11-14)6-5-12-7-9-15(10-8-12)20(16,17)18/h2-4,7-11H,1H3,(H2,16,17,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	78	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Alberta Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 1-catalyzed CO2 hydration activity by stopped flow assay				Bioorg Med Chem Lett 21: 5892-6 (2011) Article DOI: 10.1016/j.bmcl.2011.07.090 BindingDB Entry DOI: 10.7270/Q2Z60PFG
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50354398 (CHEMBL1836401) Show SMILES COc1cccc(c1)C#Cc1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C15H13NO3S/c1-19-14-4-2-3-13(11-14)6-5-12-7-9-15(10-8-12)20(16,17)18/h2-4,7-11H,1H3,(H2,16,17,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.89E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Alberta Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2-catalyzed CO2 hydration activity by stopped flow assay				Bioorg Med Chem Lett 21: 5892-6 (2011) Article DOI: 10.1016/j.bmcl.2011.07.090 BindingDB Entry DOI: 10.7270/Q2Z60PFG
					More data for this Ligand-Target Pair