BDBM50372667 CHEMBL272900

SMILES: CC(=O)OC[C@H]1O[C@H](O[C@@H]2[C@@H](COC(C)=O)O[C@H]([C@H](OC(C)=O)[C@H]2OC(C)=O)n2cc(nn2)-c2ccc(cc2)S(N)(=O)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O

InChI Key: InChIKey=ZPJZSTKOPDWFIV-CCHDLNLLSA-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 = 50372667   

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))	BDBM50372667 (CHEMBL272900) Show SMILES CC(=O)OC[C@H]1O[C@H](O[C@@H]2[C@@H](COC(C)=O)O[C@H]([C@H](OC(C)=O)[C@H]2OC(C)=O)n2cc(nn2)-c2ccc(cc2)S(N)(=O)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O Show InChI InChI=1S/C34H42N4O19S/c1-15(39)48-13-25-28(57-34-32(54-21(7)45)30(52-19(5)43)27(50-17(3)41)26(56-34)14-49-16(2)40)29(51-18(4)42)31(53-20(6)44)33(55-25)38-12-24(36-37-38)22-8-10-23(11-9-22)58(35,46)47/h8-12,25-34H,13-14H2,1-7H3,(H2,35,46,47)/t25-,26-,27-,28-,29+,30+,31-,32-,33-,34-/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	120	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))	BDBM50372667 (CHEMBL272900) Show SMILES CC(=O)OC[C@H]1O[C@H](O[C@@H]2[C@@H](COC(C)=O)O[C@H]([C@H](OC(C)=O)[C@H]2OC(C)=O)n2cc(nn2)-c2ccc(cc2)S(N)(=O)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O Show InChI InChI=1S/C34H42N4O19S/c1-15(39)48-13-25-28(57-34-32(54-21(7)45)30(52-19(5)43)27(50-17(3)41)26(56-34)14-49-16(2)40)29(51-18(4)42)31(53-20(6)44)33(55-25)38-12-24(36-37-38)22-8-10-23(11-9-22)58(35,46)47/h8-12,25-34H,13-14H2,1-7H3,(H2,35,46,47)/t25-,26-,27-,28-,29+,30+,31-,32-,33-,34-/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	235	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))	BDBM50372667 (CHEMBL272900) Show SMILES CC(=O)OC[C@H]1O[C@H](O[C@@H]2[C@@H](COC(C)=O)O[C@H]([C@H](OC(C)=O)[C@H]2OC(C)=O)n2cc(nn2)-c2ccc(cc2)S(N)(=O)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O Show InChI InChI=1S/C34H42N4O19S/c1-15(39)48-13-25-28(57-34-32(54-21(7)45)30(52-19(5)43)27(50-17(3)41)26(56-34)14-49-16(2)40)29(51-18(4)42)31(53-20(6)44)33(55-25)38-12-24(36-37-38)22-8-10-23(11-9-22)58(35,46)47/h8-12,25-34H,13-14H2,1-7H3,(H2,35,46,47)/t25-,26-,27-,28-,29+,30+,31-,32-,33-,34-/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	2.50E+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