BDBM50082686 CHEMBL3423251

SMILES: Cc1cccc(\C=N/CCc2ccc(cc2)S(N)(=O)=O)c1O

InChI Key: InChIKey=WLTXXKQYXUMBER-WQRHYEAKSA-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 = 50082686   

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 9 (Homo sapiens (Human))	BDBM50082686 (CHEMBL3423251) Show SMILES Cc1cccc(\C=N/CCc2ccc(cc2)S(N)(=O)=O)c1O Show InChI InChI=1S/C16H18N2O3S/c1-12-3-2-4-14(16(12)19)11-18-10-9-13-5-7-15(8-6-13)22(17,20)21/h2-8,11,19H,9-10H2,1H3,(H2,17,20,21)/b18-11-	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	295	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Harran University Curated by ChEMBL					Assay Description Inhibition of recombinant human transmembrane, tumor-associated form of carbonic anhydrase-9 preincubated for 15 mins by stopped flow CO2 hydration a...				Bioorg Med Chem Lett 25: 2377-81 (2015) Article DOI: 10.1016/j.bmcl.2015.04.007 BindingDB Entry DOI: 10.7270/Q20G3MWP
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50082686 (CHEMBL3423251) Show SMILES Cc1cccc(\C=N/CCc2ccc(cc2)S(N)(=O)=O)c1O Show InChI InChI=1S/C16H18N2O3S/c1-12-3-2-4-14(16(12)19)11-18-10-9-13-5-7-15(8-6-13)22(17,20)21/h2-8,11,19H,9-10H2,1H3,(H2,17,20,21)/b18-11-	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	448	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Harran University Curated by ChEMBL					Assay Description Inhibition of recombinant human cytosolic form of carbonic anhydrase-1 preincubated for 15 mins by stopped flow CO2 hydration assay				Bioorg Med Chem Lett 25: 2377-81 (2015) Article DOI: 10.1016/j.bmcl.2015.04.007 BindingDB Entry DOI: 10.7270/Q20G3MWP
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50082686 (CHEMBL3423251) Show SMILES Cc1cccc(\C=N/CCc2ccc(cc2)S(N)(=O)=O)c1O Show InChI InChI=1S/C16H18N2O3S/c1-12-3-2-4-14(16(12)19)11-18-10-9-13-5-7-15(8-6-13)22(17,20)21/h2-8,11,19H,9-10H2,1H3,(H2,17,20,21)/b18-11-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	619	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Harran University Curated by ChEMBL					Assay Description Inhibition of recombinant human cytosolic form of carbonic anhydrase-2 preincubated for 15 mins by stopped flow CO2 hydration assay				Bioorg Med Chem Lett 25: 2377-81 (2015) Article DOI: 10.1016/j.bmcl.2015.04.007 BindingDB Entry DOI: 10.7270/Q20G3MWP
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50082686 (CHEMBL3423251) Show SMILES Cc1cccc(\C=N/CCc2ccc(cc2)S(N)(=O)=O)c1O Show InChI InChI=1S/C16H18N2O3S/c1-12-3-2-4-14(16(12)19)11-18-10-9-13-5-7-15(8-6-13)22(17,20)21/h2-8,11,19H,9-10H2,1H3,(H2,17,20,21)/b18-11-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.11E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Harran University Curated by ChEMBL					Assay Description Inhibition of recombinant human transmembrane, tumor-associated form of carbonic anhydrase-12 preincubated for 15 mins by stopped flow CO2 hydration ...				Bioorg Med Chem Lett 25: 2377-81 (2015) Article DOI: 10.1016/j.bmcl.2015.04.007 BindingDB Entry DOI: 10.7270/Q20G3MWP
					More data for this Ligand-Target Pair