BDBM50065657 CHEMBL3402838

SMILES: COc1ccc(cc1)-c1ccc2OS(=O)(=O)C=Cc2c1

InChI Key: InChIKey=FMINPLASJPAMDQ-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 = 50065657   

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))	BDBM50065657 (CHEMBL3402838) Show SMILES COc1ccc(cc1)-c1ccc2OS(=O)(=O)C=Cc2c1 |c:17| Show InChI InChI=1S/C15H12O4S/c1-18-14-5-2-11(3-6-14)12-4-7-15-13(10-12)8-9-20(16,17)19-15/h2-10H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Latvian Institute of Organic Synthesis Curated by ChEMBL					Assay Description Inhibition of human tumor-associated carbonic anhydrase 12 by stopped-flow CO2 hydrase assay				Bioorg Med Chem 23: 1430-6 (2015) Article DOI: 10.1016/j.bmc.2015.02.023 BindingDB Entry DOI: 10.7270/Q2W66NFQ
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50065657 (CHEMBL3402838) Show SMILES COc1ccc(cc1)-c1ccc2OS(=O)(=O)C=Cc2c1 |c:17| Show InChI InChI=1S/C15H12O4S/c1-18-14-5-2-11(3-6-14)12-4-7-15-13(10-12)8-9-20(16,17)19-15/h2-10H,1H3	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	71	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Latvian Institute of Organic Synthesis Curated by ChEMBL					Assay Description Inhibition of human tumor-associated carbonic anhydrase 9 by stopped-flow CO2 hydrase assay				Bioorg Med Chem 23: 1430-6 (2015) Article DOI: 10.1016/j.bmc.2015.02.023 BindingDB Entry DOI: 10.7270/Q2W66NFQ
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50065657 (CHEMBL3402838) Show SMILES COc1ccc(cc1)-c1ccc2OS(=O)(=O)C=Cc2c1 |c:17| Show InChI InChI=1S/C15H12O4S/c1-18-14-5-2-11(3-6-14)12-4-7-15-13(10-12)8-9-20(16,17)19-15/h2-10H,1H3	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	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Latvian Institute of Organic Synthesis Curated by ChEMBL					Assay Description Inhibition of human cytosolic carbonic anhydrase 1 by stopped-flow CO2 hydrase assay				Bioorg Med Chem 23: 1430-6 (2015) Article DOI: 10.1016/j.bmc.2015.02.023 BindingDB Entry DOI: 10.7270/Q2W66NFQ
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50065657 (CHEMBL3402838) Show SMILES COc1ccc(cc1)-c1ccc2OS(=O)(=O)C=Cc2c1 |c:17| Show InChI InChI=1S/C15H12O4S/c1-18-14-5-2-11(3-6-14)12-4-7-15-13(10-12)8-9-20(16,17)19-15/h2-10H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Latvian Institute of Organic Synthesis Curated by ChEMBL					Assay Description Inhibition of human cytosolic carbonic anhydrase 2 by stopped-flow CO2 hydrase assay				Bioorg Med Chem 23: 1430-6 (2015) Article DOI: 10.1016/j.bmc.2015.02.023 BindingDB Entry DOI: 10.7270/Q2W66NFQ
					More data for this Ligand-Target Pair