BDBM50372664 CHEMBL273046

SMILES: CC(=O)OC[C@H]1O[C@@H]([C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O)n1cc(nn1)-c1ccc(cc1)S(N)(=O)=O

InChI Key: InChIKey=SJIOLEJMBXAEAX-AANPDWTMSA-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 = 50372664   

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 1 (Homo sapiens (Human))	BDBM50372664 (CHEMBL273046) Show SMILES CC(=O)OC[C@H]1O[C@@H]([C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O)n1cc(nn1)-c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C22H26N4O11S/c1-11(27)33-10-18-19(34-12(2)28)20(35-13(3)29)21(36-14(4)30)22(37-18)26-9-17(24-25-26)15-5-7-16(8-6-15)38(23,31)32/h5-9,18-22H,10H2,1-4H3,(H2,23,31,32)/t18-,19-,20+,21+,22+/m1/s1	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	1.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Griffith University Curated by ChEMBL					Assay Description Inhibition of human cloned CA1 by CO2 hydration method				J Med Chem 51: 1945-53 (2008) Article DOI: 10.1021/jm701426t BindingDB Entry DOI: 10.7270/Q28P61CM
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50372664 (CHEMBL273046) Show SMILES CC(=O)OC[C@H]1O[C@@H]([C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O)n1cc(nn1)-c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C22H26N4O11S/c1-11(27)33-10-18-19(34-12(2)28)20(35-13(3)29)21(36-14(4)30)22(37-18)26-9-17(24-25-26)15-5-7-16(8-6-15)38(23,31)32/h5-9,18-22H,10H2,1-4H3,(H2,23,31,32)/t18-,19-,20+,21+,22+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Griffith University Curated by ChEMBL					Assay Description Inhibition of human cloned CA2 by CO2 hydration method				J Med Chem 51: 1945-53 (2008) Article DOI: 10.1021/jm701426t BindingDB Entry DOI: 10.7270/Q28P61CM
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50372664 (CHEMBL273046) Show SMILES CC(=O)OC[C@H]1O[C@@H]([C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O)n1cc(nn1)-c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C22H26N4O11S/c1-11(27)33-10-18-19(34-12(2)28)20(35-13(3)29)21(36-14(4)30)22(37-18)26-9-17(24-25-26)15-5-7-16(8-6-15)38(23,31)32/h5-9,18-22H,10H2,1-4H3,(H2,23,31,32)/t18-,19-,20+,21+,22+/m1/s1	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	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Griffith University Curated by ChEMBL					Assay Description Inhibition of human CA9 catalytic domain by CO2 hydration method				J Med Chem 51: 1945-53 (2008) Article DOI: 10.1021/jm701426t BindingDB Entry DOI: 10.7270/Q28P61CM
					More data for this Ligand-Target Pair