BDBM50376372 CHEMBL26590

SMILES: CC1(C)O[C@H]2[C@@H]3OCO[C@@H]3CO[C@@]2(COS(N)(=O)=O)O1

InChI Key: InChIKey=JJIUCKAIOZUHRX-ODXREFDESA-N

Data: 1 KI  5 Kd

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 6 hits for monomerid = 50376372   

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))	BDBM50376372 (CHEMBL26590) Show SMILES CC1(C)O[C@H]2[C@@H]3OCO[C@@H]3CO[C@@]2(COS(N)(=O)=O)O1 Show InChI InChI=1S/C10H17NO8S/c1-9(2)18-8-7-6(14-5-15-7)3-16-10(8,19-9)4-17-20(11,12)13/h6-8H,3-5H2,1-2H3,(H2,11,12,13)/t6-,7-,8+,10+/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	350	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research& Development Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2 by 4-NPA hydrolysis assay				J Med Chem 51: 2518-21 (2008) Article DOI: 10.1021/jm7015649 BindingDB Entry DOI: 10.7270/Q22R3SJN
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50376372 (CHEMBL26590) Show SMILES CC1(C)O[C@H]2[C@@H]3OCO[C@@H]3CO[C@@]2(COS(N)(=O)=O)O1 Show InChI InChI=1S/C10H17NO8S/c1-9(2)18-8-7-6(14-5-15-7)3-16-10(8,19-9)4-17-20(11,12)13/h6-8H,3-5H2,1-2H3,(H2,11,12,13)/t6-,7-,8+,10+/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	n/a	n/a	n/a	300	n/a	n/a	n/a	7.0	n/a
Johnson& Johnson Pharmaceutical Research& Development Curated by ChEMBL					Assay Description Binding affinity to human carbonic anhydrase 2 in presence of 10 mM PIPES without Na+ at pH 7.0 by ThermoFluor method				J Med Chem 51: 2518-21 (2008) Article DOI: 10.1021/jm7015649 BindingDB Entry DOI: 10.7270/Q22R3SJN
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50376372 (CHEMBL26590) Show SMILES CC1(C)O[C@H]2[C@@H]3OCO[C@@H]3CO[C@@]2(COS(N)(=O)=O)O1 Show InChI InChI=1S/C10H17NO8S/c1-9(2)18-8-7-6(14-5-15-7)3-16-10(8,19-9)4-17-20(11,12)13/h6-8H,3-5H2,1-2H3,(H2,11,12,13)/t6-,7-,8+,10+/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	n/a	n/a	n/a	400	n/a	n/a	n/a	7.0	n/a
Johnson& Johnson Pharmaceutical Research& Development Curated by ChEMBL					Assay Description Binding affinity to human carbonic anhydrase 2 in presence of 10 mM PIPES and 100 uM Na2SO4 at pH 7.0 by ThermoFluor method				J Med Chem 51: 2518-21 (2008) Article DOI: 10.1021/jm7015649 BindingDB Entry DOI: 10.7270/Q22R3SJN
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50376372 (CHEMBL26590) Show SMILES CC1(C)O[C@H]2[C@@H]3OCO[C@@H]3CO[C@@]2(COS(N)(=O)=O)O1 Show InChI InChI=1S/C10H17NO8S/c1-9(2)18-8-7-6(14-5-15-7)3-16-10(8,19-9)4-17-20(11,12)13/h6-8H,3-5H2,1-2H3,(H2,11,12,13)/t6-,7-,8+,10+/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	n/a	n/a	n/a	700	n/a	n/a	n/a	7.0	n/a
Johnson& Johnson Pharmaceutical Research& Development Curated by ChEMBL					Assay Description Binding affinity to human carbonic anhydrase 2 in presence of 10 mM PIPES and 200 uM NaCl at pH 7.0 by ThermoFluor method				J Med Chem 51: 2518-21 (2008) Article DOI: 10.1021/jm7015649 BindingDB Entry DOI: 10.7270/Q22R3SJN
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50376372 (CHEMBL26590) Show SMILES CC1(C)O[C@H]2[C@@H]3OCO[C@@H]3CO[C@@]2(COS(N)(=O)=O)O1 Show InChI InChI=1S/C10H17NO8S/c1-9(2)18-8-7-6(14-5-15-7)3-16-10(8,19-9)4-17-20(11,12)13/h6-8H,3-5H2,1-2H3,(H2,11,12,13)/t6-,7-,8+,10+/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	n/a	n/a	n/a	300	n/a	n/a	n/a	7.5	n/a
Johnson& Johnson Pharmaceutical Research& Development Curated by ChEMBL					Assay Description Binding affinity to human carbonic anhydrase 2 in presence of 10 mM HEPES and 100 uM Na2SO4 at pH 7.5 by ThermoFluor method				J Med Chem 51: 2518-21 (2008) Article DOI: 10.1021/jm7015649 BindingDB Entry DOI: 10.7270/Q22R3SJN
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50376372 (CHEMBL26590) Show SMILES CC1(C)O[C@H]2[C@@H]3OCO[C@@H]3CO[C@@]2(COS(N)(=O)=O)O1 Show InChI InChI=1S/C10H17NO8S/c1-9(2)18-8-7-6(14-5-15-7)3-16-10(8,19-9)4-17-20(11,12)13/h6-8H,3-5H2,1-2H3,(H2,11,12,13)/t6-,7-,8+,10+/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	n/a	n/a	n/a	300	n/a	n/a	n/a	7.5	n/a
Johnson& Johnson Pharmaceutical Research& Development Curated by ChEMBL					Assay Description Binding affinity to human carbonic anhydrase 2 in presence of 10 mM HEPES without Na+ at pH 7.5 by ThermoFluor method				J Med Chem 51: 2518-21 (2008) Article DOI: 10.1021/jm7015649 BindingDB Entry DOI: 10.7270/Q22R3SJN
					More data for this Ligand-Target Pair