BDBM50372665 CHEMBL272611

SMILES: NS(=O)(=O)c1ccc(cc1)-c1cn(nn1)[C@@H]1O[C@H](COC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1

InChI Key: InChIKey=PVTFHJJTSORNQP-OMRVPHBLSA-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 = 50372665   

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))	BDBM50372665 (CHEMBL272611) Show SMILES NS(=O)(=O)c1ccc(cc1)-c1cn(nn1)[C@@H]1O[C@H](COC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1 Show InChI InChI=1S/C34H28N4O9S/c35-48(42,43)26-18-16-22(17-19-26)27-20-38(37-36-27)31-30(47-34(41)25-14-8-3-9-15-25)29(46-33(40)24-12-6-2-7-13-24)28(45-31)21-44-32(39)23-10-4-1-5-11-23/h1-20,28-31H,21H2,(H2,35,42,43)/t28-,29-,30-,31-/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	100	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
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50372665 (CHEMBL272611) Show SMILES NS(=O)(=O)c1ccc(cc1)-c1cn(nn1)[C@@H]1O[C@H](COC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1 Show InChI InChI=1S/C34H28N4O9S/c35-48(42,43)26-18-16-22(17-19-26)27-20-38(37-36-27)31-30(47-34(41)25-14-8-3-9-15-25)29(46-33(40)24-12-6-2-7-13-24)28(45-31)21-44-32(39)23-10-4-1-5-11-23/h1-20,28-31H,21H2,(H2,35,42,43)/t28-,29-,30-,31-/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	427	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 1 (Homo sapiens (Human))	BDBM50372665 (CHEMBL272611) Show SMILES NS(=O)(=O)c1ccc(cc1)-c1cn(nn1)[C@@H]1O[C@H](COC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1 Show InChI InChI=1S/C34H28N4O9S/c35-48(42,43)26-18-16-22(17-19-26)27-20-38(37-36-27)31-30(47-34(41)25-14-8-3-9-15-25)29(46-33(40)24-12-6-2-7-13-24)28(45-31)21-44-32(39)23-10-4-1-5-11-23/h1-20,28-31H,21H2,(H2,35,42,43)/t28-,29-,30-,31-/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	5.30E+3	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