BDBM50207843 CHEMBL3956141

SMILES: COc1ccc(CSc2ccc(s2)S(N)(=O)=O)cc1

InChI Key: InChIKey=WYFYUCOXWDKJJM-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 = 50207843   

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 2 (Homo sapiens (Human))	BDBM50207843 (CHEMBL3956141) Show SMILES COc1ccc(CSc2ccc(s2)S(N)(=O)=O)cc1 Show InChI InChI=1S/C12H13NO3S3/c1-16-10-4-2-9(3-5-10)8-17-11-6-7-12(18-11)19(13,14)15/h2-7H,8H2,1H3,(H2,13,14,15)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Riga Technical University Curated by ChEMBL					Assay Description Inhibition of human recombinant cytosolic carbonic anhydrase 2 preincubated for 10 mins prior to testing by stopped-flow CO2 hydration assay				Bioorg Med Chem 25: 857-863 (2017) Article DOI: 10.1016/j.bmc.2016.11.045 BindingDB Entry DOI: 10.7270/Q2M61N7N
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50207843 (CHEMBL3956141) Show SMILES COc1ccc(CSc2ccc(s2)S(N)(=O)=O)cc1 Show InChI InChI=1S/C12H13NO3S3/c1-16-10-4-2-9(3-5-10)8-17-11-6-7-12(18-11)19(13,14)15/h2-7H,8H2,1H3,(H2,13,14,15)	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	6.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Riga Technical University Curated by ChEMBL					Assay Description Inhibition of human recombinant transmembrane tumor associated carbonic anhydrase 9 preincubated for 10 mins prior to testing by stopped-flow CO2 hyd...				Bioorg Med Chem 25: 857-863 (2017) Article DOI: 10.1016/j.bmc.2016.11.045 BindingDB Entry DOI: 10.7270/Q2M61N7N
					More data for this Ligand-Target Pair
Carbonic anhydrase (Homo sapiens (Human))	BDBM50207843 (CHEMBL3956141) Show SMILES COc1ccc(CSc2ccc(s2)S(N)(=O)=O)cc1 Show InChI InChI=1S/C12H13NO3S3/c1-16-10-4-2-9(3-5-10)8-17-11-6-7-12(18-11)19(13,14)15/h2-7H,8H2,1H3,(H2,13,14,15)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Riga Technical University Curated by ChEMBL					Assay Description Inhibition of human recombinant transmembrane tumor associated carbonic anhydrase 12 preincubated for 10 mins prior to testing by stopped-flow CO2 hy...				Bioorg Med Chem 25: 857-863 (2017) Article DOI: 10.1016/j.bmc.2016.11.045 BindingDB Entry DOI: 10.7270/Q2M61N7N
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50207843 (CHEMBL3956141) Show SMILES COc1ccc(CSc2ccc(s2)S(N)(=O)=O)cc1 Show InChI InChI=1S/C12H13NO3S3/c1-16-10-4-2-9(3-5-10)8-17-11-6-7-12(18-11)19(13,14)15/h2-7H,8H2,1H3,(H2,13,14,15)	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	982	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Riga Technical University Curated by ChEMBL					Assay Description Inhibition of human recombinant cytosolic carbonic anhydrase 1 preincubated for 10 mins prior to testing by stopped-flow CO2 hydration assay				Bioorg Med Chem 25: 857-863 (2017) Article DOI: 10.1016/j.bmc.2016.11.045 BindingDB Entry DOI: 10.7270/Q2M61N7N
					More data for this Ligand-Target Pair