BDBM12944 (1-{[(2R,3R,4S,5R,6S)-3,4,5-tris(acetyloxy)-6-methoxyoxan-2-yl]methyl}-1H-1,2,3-triazol-4-yl)methyl 4-sulfamoylbenzoate::CHEMBL217454::Glycoconjugate Benzene Sulfonamide 3g::Methyl 2,3,4-tri-O-acetyl-6-[4-({[4-(aminosulfonyl)benzoyl]-oxy}methyl)-1H-triazol-1-yl]-6-deoxy-alpha-D-glucopyranoside

SMILES: CO[C@H]1O[C@H](Cn2cc(COC(=O)c3ccc(cc3)S(N)(=O)=O)nn2)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O

InChI Key: InChIKey=GZXSWQRLXLNLQS-VZWAGXQNSA-N

Data: 5 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 5 hits for monomerid = 12944   

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))	BDBM12944 ((1-{[(2R,3R,4S,5R,6S)-3,4,5-tris(acetyloxy)-6-meth...) Show SMILES CO[C@H]1O[C@H](Cn2cc(COC(=O)c3ccc(cc3)S(N)(=O)=O)nn2)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O Show InChI InChI=1S/C23H28N4O12S/c1-12(28)36-19-18(39-23(34-4)21(38-14(3)30)20(19)37-13(2)29)10-27-9-16(25-26-27)11-35-22(31)15-5-7-17(8-6-15)40(24,32)33/h5-9,18-21,23H,10-11H2,1-4H3,(H2,24,32,33)/t18-,19-,20+,21-,23+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.10	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 CO2 hydration assay				Bioorg Med Chem Lett 17: 987-92 (2007) Article DOI: 10.1016/j.bmcl.2006.11.046 BindingDB Entry DOI: 10.7270/Q2JD4XMG
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM12944 ((1-{[(2R,3R,4S,5R,6S)-3,4,5-tris(acetyloxy)-6-meth...) Show SMILES CO[C@H]1O[C@H](Cn2cc(COC(=O)c3ccc(cc3)S(N)(=O)=O)nn2)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O Show InChI InChI=1S/C23H28N4O12S/c1-12(28)36-19-18(39-23(34-4)21(38-14(3)30)20(19)37-13(2)29)10-27-9-16(25-26-27)11-35-22(31)15-5-7-17(8-6-15)40(24,32)33/h5-9,18-21,23H,10-11H2,1-4H3,(H2,24,32,33)/t18-,19-,20+,21-,23+/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	50	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Griffith University					Assay Description An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...				J Med Chem 49: 6539-48 (2006) Article DOI: 10.1021/jm060967z BindingDB Entry DOI: 10.7270/Q2X928HW
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM12944 ((1-{[(2R,3R,4S,5R,6S)-3,4,5-tris(acetyloxy)-6-meth...) Show SMILES CO[C@H]1O[C@H](Cn2cc(COC(=O)c3ccc(cc3)S(N)(=O)=O)nn2)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O Show InChI InChI=1S/C23H28N4O12S/c1-12(28)36-19-18(39-23(34-4)21(38-14(3)30)20(19)37-13(2)29)10-27-9-16(25-26-27)11-35-22(31)15-5-7-17(8-6-15)40(24,32)33/h5-9,18-21,23H,10-11H2,1-4H3,(H2,24,32,33)/t18-,19-,20+,21-,23+/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	54	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Griffith University					Assay Description An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...				J Med Chem 49: 6539-48 (2006) Article DOI: 10.1021/jm060967z BindingDB Entry DOI: 10.7270/Q2X928HW
					More data for this Ligand-Target Pair
Carbonic Anhydrase XIV (Homo sapiens (Human))	BDBM12944 ((1-{[(2R,3R,4S,5R,6S)-3,4,5-tris(acetyloxy)-6-meth...) Show SMILES CO[C@H]1O[C@H](Cn2cc(COC(=O)c3ccc(cc3)S(N)(=O)=O)nn2)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O Show InChI InChI=1S/C23H28N4O12S/c1-12(28)36-19-18(39-23(34-4)21(38-14(3)30)20(19)37-13(2)29)10-27-9-16(25-26-27)11-35-22(31)15-5-7-17(8-6-15)40(24,32)33/h5-9,18-21,23H,10-11H2,1-4H3,(H2,24,32,33)/t18-,19-,20+,21-,23+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	74	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 CA14 by CO2 hydration assay				Bioorg Med Chem Lett 17: 987-92 (2007) Article DOI: 10.1016/j.bmcl.2006.11.046 BindingDB Entry DOI: 10.7270/Q2JD4XMG
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM12944 ((1-{[(2R,3R,4S,5R,6S)-3,4,5-tris(acetyloxy)-6-meth...) Show SMILES CO[C@H]1O[C@H](Cn2cc(COC(=O)c3ccc(cc3)S(N)(=O)=O)nn2)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O Show InChI InChI=1S/C23H28N4O12S/c1-12(28)36-19-18(39-23(34-4)21(38-14(3)30)20(19)37-13(2)29)10-27-9-16(25-26-27)11-35-22(31)15-5-7-17(8-6-15)40(24,32)33/h5-9,18-21,23H,10-11H2,1-4H3,(H2,24,32,33)/t18-,19-,20+,21-,23+/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	3.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Griffith University					Assay Description An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...				J Med Chem 49: 6539-48 (2006) Article DOI: 10.1021/jm060967z BindingDB Entry DOI: 10.7270/Q2X928HW
					More data for this Ligand-Target Pair