BDBM237282 Carbonic anhydrase inhibitors (CAIs), 3

SMILES: Cc1ccc(cc1)S(=O)(=O)N[C@@H]1C=CCC[C@@H]1O

InChI Key: InChIKey=BVLQHNHKBYHNET-OLZOCXBDSA-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 = 237282   

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 3 (CA III) (Bos taurus (Cattle))	BDBM237282 (Carbonic anhydrase inhibitors (CAIs), 3) Show SMILES Cc1ccc(cc1)S(=O)(=O)N[C@@H]1C=CCC[C@@H]1O |r,c:13| Show InChI InChI=1S/C13H17NO3S/c1-10-6-8-11(9-7-10)18(16,17)14-12-4-2-3-5-13(12)15/h2,4,6-9,12-15H,3,5H2,1H3/t12-,13+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.67E+3	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Ondokuz Mayis University					Assay Description The CA activity was assayed by following the change in absorbance at 348 nm of 4-NPA to 4-nitrophenylate ion over a period of 3 min at 25°C using a s...				J Enzyme Inhib Med Chem 27: 845-8 (2012) Article DOI: 10.3109/14756366.2011.621122 BindingDB Entry DOI: 10.7270/Q27P8X9X
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM237282 (Carbonic anhydrase inhibitors (CAIs), 3) Show SMILES Cc1ccc(cc1)S(=O)(=O)N[C@@H]1C=CCC[C@@H]1O |r,c:13| Show InChI InChI=1S/C13H17NO3S/c1-10-6-8-11(9-7-10)18(16,17)14-12-4-2-3-5-13(12)15/h2,4,6-9,12-15H,3,5H2,1H3/t12-,13+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.72E+3	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Ondokuz Mayis University					Assay Description The CA activity was assayed by following the change in absorbance at 348 nm of 4-NPA to 4-nitrophenylate ion over a period of 3 min at 25°C using a s...				J Enzyme Inhib Med Chem 27: 845-8 (2012) Article DOI: 10.3109/14756366.2011.621122 BindingDB Entry DOI: 10.7270/Q27P8X9X
					More data for this Ligand-Target Pair
Carbonic anhydrase 6 (CA-VI) (Homo sapiens (Human))	BDBM237282 (Carbonic anhydrase inhibitors (CAIs), 3) Show SMILES Cc1ccc(cc1)S(=O)(=O)N[C@@H]1C=CCC[C@@H]1O |r,c:13| Show InChI InChI=1S/C13H17NO3S/c1-10-6-8-11(9-7-10)18(16,17)14-12-4-2-3-5-13(12)15/h2,4,6-9,12-15H,3,5H2,1H3/t12-,13+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.48E+3	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Ondokuz Mayis University					Assay Description The CA activity was assayed by following the change in absorbance at 348 nm of 4-NPA to 4-nitrophenylate ion over a period of 3 min at 25°C using a s...				J Enzyme Inhib Med Chem 27: 845-8 (2012) Article DOI: 10.3109/14756366.2011.621122 BindingDB Entry DOI: 10.7270/Q27P8X9X
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM237282 (Carbonic anhydrase inhibitors (CAIs), 3) Show SMILES Cc1ccc(cc1)S(=O)(=O)N[C@@H]1C=CCC[C@@H]1O |r,c:13| Show InChI InChI=1S/C13H17NO3S/c1-10-6-8-11(9-7-10)18(16,17)14-12-4-2-3-5-13(12)15/h2,4,6-9,12-15H,3,5H2,1H3/t12-,13+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	7.02E+4	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Ondokuz Mayis University					Assay Description The CA activity was assayed by following the change in absorbance at 348 nm of 4-NPA to 4-nitrophenylate ion over a period of 3 min at 25°C using a s...				J Enzyme Inhib Med Chem 27: 845-8 (2012) Article DOI: 10.3109/14756366.2011.621122 BindingDB Entry DOI: 10.7270/Q27P8X9X
					More data for this Ligand-Target Pair