BDBM237231 hCA inhibitor, 1

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

InChI Key: InChIKey=AVQUFASKLOBGCJ-RVDMUPIBSA-N

Data: 3 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 3 hits for monomerid = 237231   

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))	BDBM237231 (hCA inhibitor, 1) Show SMILES CCOC1Oc2ccccc2C(=O)\C1=C/Nc1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C18H18N2O5S/c1-2-24-18-15(17(21)14-5-3-4-6-16(14)25-18)11-20-12-7-9-13(10-8-12)26(19,22)23/h3-11,18,20H,2H2,1H3,(H2,19,22,23)/b15-11+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	228	-9.05	n/a	n/a	n/a	n/a	n/a	7.4	25
Ondokuz Mayis University					Assay Description Carbonic anhydrase activity was assayed by following the change in absorbance at 348 nm of 4-nitrophenylacetate (NPA) to 4-nitrophenylate ion over a ...				J Enzyme Inhib Med Chem 27: 744-7 (2012) Article DOI: 10.3109/14756366.2011.614607 BindingDB Entry DOI: 10.7270/Q2H70DQ2
					More data for this Ligand-Target Pair
Carbonic anhydrase 6 (CA-VI) (Homo sapiens (Human))	BDBM237231 (hCA inhibitor, 1) Show SMILES CCOC1Oc2ccccc2C(=O)\C1=C/Nc1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C18H18N2O5S/c1-2-24-18-15(17(21)14-5-3-4-6-16(14)25-18)11-20-12-7-9-13(10-8-12)26(19,22)23/h3-11,18,20H,2H2,1H3,(H2,19,22,23)/b15-11+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	943	-8.21	n/a	n/a	n/a	n/a	n/a	7.4	25
Ondokuz Mayis University					Assay Description Carbonic anhydrase activity was assayed by following the change in absorbance at 348 nm of 4-nitrophenylacetate (NPA) to 4-nitrophenylate ion over a ...				J Enzyme Inhib Med Chem 27: 744-7 (2012) Article DOI: 10.3109/14756366.2011.614607 BindingDB Entry DOI: 10.7270/Q2H70DQ2
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM237231 (hCA inhibitor, 1) Show SMILES CCOC1Oc2ccccc2C(=O)\C1=C/Nc1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C18H18N2O5S/c1-2-24-18-15(17(21)14-5-3-4-6-16(14)25-18)11-20-12-7-9-13(10-8-12)26(19,22)23/h3-11,18,20H,2H2,1H3,(H2,19,22,23)/b15-11+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.37E+4	-6.63	n/a	n/a	n/a	n/a	n/a	7.4	25
Ondokuz Mayis University					Assay Description Carbonic anhydrase activity was assayed by following the change in absorbance at 348 nm of 4-nitrophenylacetate (NPA) to 4-nitrophenylate ion over a ...				J Enzyme Inhib Med Chem 27: 744-7 (2012) Article DOI: 10.3109/14756366.2011.614607 BindingDB Entry DOI: 10.7270/Q2H70DQ2
					More data for this Ligand-Target Pair