BDBM50080150 CHEMBL3416229

SMILES: CCOC1Oc2ccccc2C(=O)\C1=C\Nc1ccc(cc1)S(=O)(=O)Nc1nccs1

InChI Key: InChIKey=HMPQCFVVEJYFHQ-LGMDPLHJSA-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 = 50080150   

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))	BDBM50080150 (CHEMBL3416229) Show SMILES CCOC1Oc2ccccc2C(=O)\C1=C\Nc1ccc(cc1)S(=O)(=O)Nc1nccs1 Show InChI InChI=1S/C21H19N3O5S2/c1-2-28-20-17(19(25)16-5-3-4-6-18(16)29-20)13-23-14-7-9-15(10-8-14)31(26,27)24-21-22-11-12-30-21/h3-13,20,23H,2H2,1H3,(H,22,24)/b17-13-	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	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cairo University Curated by ChEMBL					Assay Description Inhibition of human membrane associated form of carbonic anhydrase-9 assessed as CO2 hydration activity incubated for 15 mins prior to testing by sto...				Eur J Med Chem 96: 425-35 (2015) Article DOI: 10.1016/j.ejmech.2015.04.033 BindingDB Entry DOI: 10.7270/Q2T155BV
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50080150 (CHEMBL3416229) Show SMILES CCOC1Oc2ccccc2C(=O)\C1=C\Nc1ccc(cc1)S(=O)(=O)Nc1nccs1 Show InChI InChI=1S/C21H19N3O5S2/c1-2-28-20-17(19(25)16-5-3-4-6-18(16)29-20)13-23-14-7-9-15(10-8-14)31(26,27)24-21-22-11-12-30-21/h3-13,20,23H,2H2,1H3,(H,22,24)/b17-13-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	23	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cairo University Curated by ChEMBL					Assay Description Inhibition of human membrane associated form of carbonic anhydrase-12 assessed as CO2 hydration activity incubated for 15 mins prior to testing by st...				Eur J Med Chem 96: 425-35 (2015) Article DOI: 10.1016/j.ejmech.2015.04.033 BindingDB Entry DOI: 10.7270/Q2T155BV
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50080150 (CHEMBL3416229) Show SMILES CCOC1Oc2ccccc2C(=O)\C1=C\Nc1ccc(cc1)S(=O)(=O)Nc1nccs1 Show InChI InChI=1S/C21H19N3O5S2/c1-2-28-20-17(19(25)16-5-3-4-6-18(16)29-20)13-23-14-7-9-15(10-8-14)31(26,27)24-21-22-11-12-30-21/h3-13,20,23H,2H2,1H3,(H,22,24)/b17-13-	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
Cairo University Curated by ChEMBL					Assay Description Inhibition of human cytosolic form of carbonic anhydrase-1 assessed as CO2 hydration activity incubated for 15 mins prior to testing by stopped flow ...				Eur J Med Chem 96: 425-35 (2015) Article DOI: 10.1016/j.ejmech.2015.04.033 BindingDB Entry DOI: 10.7270/Q2T155BV
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50080150 (CHEMBL3416229) Show SMILES CCOC1Oc2ccccc2C(=O)\C1=C\Nc1ccc(cc1)S(=O)(=O)Nc1nccs1 Show InChI InChI=1S/C21H19N3O5S2/c1-2-28-20-17(19(25)16-5-3-4-6-18(16)29-20)13-23-14-7-9-15(10-8-14)31(26,27)24-21-22-11-12-30-21/h3-13,20,23H,2H2,1H3,(H,22,24)/b17-13-	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
Cairo University Curated by ChEMBL					Assay Description Inhibition of human cytosolic form of carbonic anhydrase-2 assessed as CO2 hydration activity incubated for 15 mins prior to testing by stopped flow ...				Eur J Med Chem 96: 425-35 (2015) Article DOI: 10.1016/j.ejmech.2015.04.033 BindingDB Entry DOI: 10.7270/Q2T155BV
					More data for this Ligand-Target Pair