BDBM50124183 CHEMBL355167::[(3aS,5aR,8aR,8bS)-2,2,7,7-tetramethyltetrahydro-3aH-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-3a-yl]methyl aminosulfonylcarbamate

SMILES: CC1(C)O[C@@H]2CO[C@@]3(COC(=O)NS(N)(=O)=O)OC(C)(C)O[C@H]3[C@@H]2O1

InChI Key: InChIKey=KDTJHPXXHVKVNX-SKNMHBRKSA-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 = 50124183   

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))	BDBM50124183 (CHEMBL355167 | [(3aS,5aR,8aR,8bS)-2,2,7,7-tetramet...) Show SMILES CC1(C)O[C@@H]2CO[C@@]3(COC(=O)NS(N)(=O)=O)OC(C)(C)O[C@H]3[C@@H]2O1 Show InChI InChI=1S/C13H22N2O9S/c1-11(2)21-7-5-20-13(6-19-10(16)15-25(14,17)18)9(8(7)22-11)23-12(3,4)24-13/h7-9H,5-6H2,1-4H3,(H,15,16)(H2,14,17,18)/t7-,8-,9+,13+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	24	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibitory activity against human cloned carbonic anhydrase II (hCA II)				Bioorg Med Chem Lett 13: 841-5 (2003) BindingDB Entry DOI: 10.7270/Q2BK1CW5
					More data for this Ligand-Target Pair				3D Structure (docked)
Carbonic Anhydrase IV (Bos taurus (bovine))	BDBM50124183 (CHEMBL355167 | [(3aS,5aR,8aR,8bS)-2,2,7,7-tetramet...) Show SMILES CC1(C)O[C@@H]2CO[C@@]3(COC(=O)NS(N)(=O)=O)OC(C)(C)O[C@H]3[C@@H]2O1 Show InChI InChI=1S/C13H22N2O9S/c1-11(2)21-7-5-20-13(6-19-10(16)15-25(14,17)18)9(8(7)22-11)23-12(3,4)24-13/h7-9H,5-6H2,1-4H3,(H,15,16)(H2,14,17,18)/t7-,8-,9+,13+/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	45	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibitory activity against carbonic anhydrase isolated from bovine lung microsome (bCA IV)				Bioorg Med Chem Lett 13: 841-5 (2003) BindingDB Entry DOI: 10.7270/Q2BK1CW5
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50124183 (CHEMBL355167 | [(3aS,5aR,8aR,8bS)-2,2,7,7-tetramet...) Show SMILES CC1(C)O[C@@H]2CO[C@@]3(COC(=O)NS(N)(=O)=O)OC(C)(C)O[C@H]3[C@@H]2O1 Show InChI InChI=1S/C13H22N2O9S/c1-11(2)21-7-5-20-13(6-19-10(16)15-25(14,17)18)9(8(7)22-11)23-12(3,4)24-13/h7-9H,5-6H2,1-4H3,(H,15,16)(H2,14,17,18)/t7-,8-,9+,13+/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	PubMed	420	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibitory activity against human cloned carbonic anhydrase I (hCA I)				Bioorg Med Chem Lett 13: 841-5 (2003) BindingDB Entry DOI: 10.7270/Q2BK1CW5
					More data for this Ligand-Target Pair