BDBM50376370 CHEMBL410329

SMILES: CC1(C)O[C@H]2[C@@H]3OC4(CCCCC4)O[C@@H]3CO[C@@]2(COS(N)(=O)=O)O1

InChI Key: InChIKey=AMEJUCGWZIFBAU-FJJYHAOUSA-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 = 50376370   

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))	BDBM50376370 (CHEMBL410329) Show SMILES CC1(C)O[C@H]2[C@@H]3OC4(CCCCC4)O[C@@H]3CO[C@@]2(COS(N)(=O)=O)O1 Show InChI InChI=1S/C15H25NO8S/c1-13(2)23-12-11-10(21-14(22-11)6-4-3-5-7-14)8-19-15(12,24-13)9-20-25(16,17)18/h10-12H,3-9H2,1-2H3,(H2,16,17,18)/t10-,11-,12+,15+/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	1.60E+3	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))	BDBM50376370 (CHEMBL410329) Show SMILES CC1(C)O[C@H]2[C@@H]3OC4(CCCCC4)O[C@@H]3CO[C@@]2(COS(N)(=O)=O)O1 Show InChI InChI=1S/C15H25NO8S/c1-13(2)23-12-11-10(21-14(22-11)6-4-3-5-7-14)8-19-15(12,24-13)9-20-25(16,17)18/h10-12H,3-9H2,1-2H3,(H2,16,17,18)/t10-,11-,12+,15+/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	800	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))	BDBM50376370 (CHEMBL410329) Show SMILES CC1(C)O[C@H]2[C@@H]3OC4(CCCCC4)O[C@@H]3CO[C@@]2(COS(N)(=O)=O)O1 Show InChI InChI=1S/C15H25NO8S/c1-13(2)23-12-11-10(21-14(22-11)6-4-3-5-7-14)8-19-15(12,24-13)9-20-25(16,17)18/h10-12H,3-9H2,1-2H3,(H2,16,17,18)/t10-,11-,12+,15+/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	800	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))	BDBM50376370 (CHEMBL410329) Show SMILES CC1(C)O[C@H]2[C@@H]3OC4(CCCCC4)O[C@@H]3CO[C@@]2(COS(N)(=O)=O)O1 Show InChI InChI=1S/C15H25NO8S/c1-13(2)23-12-11-10(21-14(22-11)6-4-3-5-7-14)8-19-15(12,24-13)9-20-25(16,17)18/h10-12H,3-9H2,1-2H3,(H2,16,17,18)/t10-,11-,12+,15+/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	800	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))	BDBM50376370 (CHEMBL410329) Show SMILES CC1(C)O[C@H]2[C@@H]3OC4(CCCCC4)O[C@@H]3CO[C@@]2(COS(N)(=O)=O)O1 Show InChI InChI=1S/C15H25NO8S/c1-13(2)23-12-11-10(21-14(22-11)6-4-3-5-7-14)8-19-15(12,24-13)9-20-25(16,17)18/h10-12H,3-9H2,1-2H3,(H2,16,17,18)/t10-,11-,12+,15+/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	900	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))	BDBM50376370 (CHEMBL410329) Show SMILES CC1(C)O[C@H]2[C@@H]3OC4(CCCCC4)O[C@@H]3CO[C@@]2(COS(N)(=O)=O)O1 Show InChI InChI=1S/C15H25NO8S/c1-13(2)23-12-11-10(21-14(22-11)6-4-3-5-7-14)8-19-15(12,24-13)9-20-25(16,17)18/h10-12H,3-9H2,1-2H3,(H2,16,17,18)/t10-,11-,12+,15+/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	500	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