BDBM50314532 CHEMBL1094036::N-4-(Aminosulfonyl)benzyl-S-(2,3,4,6-tetra-O-acetyl-1-thio-beta-D-galactopyranosyl)sulfonamide

SMILES: CC(=O)OC[C@H]1O[C@H]([C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O)S(=O)(=O)NCc1ccc(cc1)S(N)(=O)=O

InChI Key: InChIKey=MXAPIXKSJFQENZ-IFLJBQAJSA-N

Data: 4 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 4 hits for monomerid = 50314532   

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 12 (Homo sapiens (Human))	BDBM50314532 (CHEMBL1094036 | N-4-(Aminosulfonyl)benzyl-S-(2,3,4...) Show SMILES CC(=O)OC[C@H]1O[C@H]([C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O)S(=O)(=O)NCc1ccc(cc1)S(N)(=O)=O |r| Show InChI InChI=1S/C21H28N2O13S2/c1-11(24)32-10-17-18(33-12(2)25)19(34-13(3)26)20(35-14(4)27)21(36-17)38(30,31)23-9-15-5-7-16(8-6-15)37(22,28)29/h5-8,17-21,23H,9-10H2,1-4H3,(H2,22,28,29)/t17-,18+,19+,20-,21+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.90	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 recombinant CA12 by stopped flow CO2 hydration assay				J Med Chem 53: 2913-26 (2010) Article DOI: 10.1021/jm901888x BindingDB Entry DOI: 10.7270/Q2DN460W
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50314532 (CHEMBL1094036 | N-4-(Aminosulfonyl)benzyl-S-(2,3,4...) Show SMILES CC(=O)OC[C@H]1O[C@H]([C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O)S(=O)(=O)NCc1ccc(cc1)S(N)(=O)=O |r| Show InChI InChI=1S/C21H28N2O13S2/c1-11(24)32-10-17-18(33-12(2)25)19(34-13(3)26)20(35-14(4)27)21(36-17)38(30,31)23-9-15-5-7-16(8-6-15)37(22,28)29/h5-8,17-21,23H,9-10H2,1-4H3,(H2,22,28,29)/t17-,18+,19+,20-,21+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	16.3	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 recombinant CA2 by stopped flow CO2 hydration assay				J Med Chem 53: 2913-26 (2010) Article DOI: 10.1021/jm901888x BindingDB Entry DOI: 10.7270/Q2DN460W
					More data for this Ligand-Target Pair				3D Structure (docked)
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50314532 (CHEMBL1094036 | N-4-(Aminosulfonyl)benzyl-S-(2,3,4...) Show SMILES CC(=O)OC[C@H]1O[C@H]([C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O)S(=O)(=O)NCc1ccc(cc1)S(N)(=O)=O |r| Show InChI InChI=1S/C21H28N2O13S2/c1-11(24)32-10-17-18(33-12(2)25)19(34-13(3)26)20(35-14(4)27)21(36-17)38(30,31)23-9-15-5-7-16(8-6-15)37(22,28)29/h5-8,17-21,23H,9-10H2,1-4H3,(H2,22,28,29)/t17-,18+,19+,20-,21+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	89	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 recombinant CA9 by stopped flow CO2 hydration assay				J Med Chem 53: 2913-26 (2010) Article DOI: 10.1021/jm901888x BindingDB Entry DOI: 10.7270/Q2DN460W
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50314532 (CHEMBL1094036 | N-4-(Aminosulfonyl)benzyl-S-(2,3,4...) Show SMILES CC(=O)OC[C@H]1O[C@H]([C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O)S(=O)(=O)NCc1ccc(cc1)S(N)(=O)=O |r| Show InChI InChI=1S/C21H28N2O13S2/c1-11(24)32-10-17-18(33-12(2)25)19(34-13(3)26)20(35-14(4)27)21(36-17)38(30,31)23-9-15-5-7-16(8-6-15)37(22,28)29/h5-8,17-21,23H,9-10H2,1-4H3,(H2,22,28,29)/t17-,18+,19+,20-,21+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	110	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 recombinant CA1 by stopped flow CO2 hydration assay				J Med Chem 53: 2913-26 (2010) Article DOI: 10.1021/jm901888x BindingDB Entry DOI: 10.7270/Q2DN460W
					More data for this Ligand-Target Pair