BDBM50087043 CHEMBL3426541

SMILES: COc1ccc2OS(=O)(=O)C=Cc2c1

InChI Key: InChIKey=OQTUEYAGKZGCTF-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 = 50087043   

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))	BDBM50087043 (CHEMBL3426541) Show SMILES COc1ccc2OS(=O)(=O)C=Cc2c1 |c:10| Show InChI InChI=1S/C9H8O4S/c1-12-8-2-3-9-7(6-8)4-5-14(10,11)13-9/h2-6H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents 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 recombinant carbonic anhdydrase-12 expressed in Escherichia coli pre-incubated for 6 hrs by stopped-flow CO2 hydration assay				J Med Chem 58: 3975-83 (2015) Article DOI: 10.1021/acs.jmedchem.5b00523 BindingDB Entry DOI: 10.7270/Q2RN39KG
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50087043 (CHEMBL3426541) Show SMILES COc1ccc2OS(=O)(=O)C=Cc2c1 |c:10| Show InChI InChI=1S/C9H8O4S/c1-12-8-2-3-9-7(6-8)4-5-14(10,11)13-9/h2-6H,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	42	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 recombinant carbonic anhdydrase-9 expressed in Escherichia coli pre-incubated for 6 hrs by stopped-flow CO2 hydration assay				J Med Chem 58: 3975-83 (2015) Article DOI: 10.1021/acs.jmedchem.5b00523 BindingDB Entry DOI: 10.7270/Q2RN39KG
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50087043 (CHEMBL3426541) Show SMILES COc1ccc2OS(=O)(=O)C=Cc2c1 |c:10| Show InChI InChI=1S/C9H8O4S/c1-12-8-2-3-9-7(6-8)4-5-14(10,11)13-9/h2-6H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents 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 recombinant carbonic anhdydrase-2 expressed in Escherichia coli pre-incubated for 6 hrs by stopped-flow CO2 hydration assay				J Med Chem 58: 3975-83 (2015) Article DOI: 10.1021/acs.jmedchem.5b00523 BindingDB Entry DOI: 10.7270/Q2RN39KG
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50087043 (CHEMBL3426541) Show SMILES COc1ccc2OS(=O)(=O)C=Cc2c1 |c:10| Show InChI InChI=1S/C9H8O4S/c1-12-8-2-3-9-7(6-8)4-5-14(10,11)13-9/h2-6H,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents 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 recombinant carbonic anhdydrase-1 expressed in Escherichia coli pre-incubated for 6 hrs by stopped-flow CO2 hydration assay				J Med Chem 58: 3975-83 (2015) Article DOI: 10.1021/acs.jmedchem.5b00523 BindingDB Entry DOI: 10.7270/Q2RN39KG
					More data for this Ligand-Target Pair