BDBM12939 4-({[4-(Aminosulfonyl)benzoyl]amino}methyl-1-(beta-D-maltosyl)-1H-1,2,3-triazol::CHEMBL384644::Glycoconjugate Benzene Sulfonamide 2ff::N-({1-[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]-1H-1,2,3-triazol-4-yl}methyl)-4-sulfamoylbenzamide

SMILES: NS(=O)(=O)c1ccc(cc1)C(=O)NCc1cn(nn1)[C@@H]1O[C@H](CO)[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O

InChI Key: InChIKey=ROBXYFBYHQCBMD-AUPCZCKCSA-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 = 12939   

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))	BDBM12939 (4-({[4-(Aminosulfonyl)benzoyl]amino}methyl-1-(beta...) Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)NCc1cn(nn1)[C@@H]1O[C@H](CO)[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O Show InChI InChI=1S/C22H31N5O13S/c23-41(36,37)11-3-1-9(2-4-11)20(35)24-5-10-6-27(26-25-10)21-17(33)16(32)19(13(8-29)38-21)40-22-18(34)15(31)14(30)12(7-28)39-22/h1-4,6,12-19,21-22,28-34H,5,7-8H2,(H,24,35)(H2,23,36,37)/t12-,13-,14-,15+,16-,17-,18-,19-,21-,22-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	3.20	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 14 (Homo sapiens (Human))	BDBM12939 (4-({[4-(Aminosulfonyl)benzoyl]amino}methyl-1-(beta...) Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)NCc1cn(nn1)[C@@H]1O[C@H](CO)[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O Show InChI InChI=1S/C22H31N5O13S/c23-41(36,37)11-3-1-9(2-4-11)20(35)24-5-10-6-27(26-25-10)21-17(33)16(32)19(13(8-29)38-21)40-22-18(34)15(31)14(30)12(7-28)39-22/h1-4,6,12-19,21-22,28-34H,5,7-8H2,(H,24,35)(H2,23,36,37)/t12-,13-,14-,15+,16-,17-,18-,19-,21-,22-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	64	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 2 (Homo sapiens (Human))	BDBM12939 (4-({[4-(Aminosulfonyl)benzoyl]amino}methyl-1-(beta...) Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)NCc1cn(nn1)[C@@H]1O[C@H](CO)[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O Show InChI InChI=1S/C22H31N5O13S/c23-41(36,37)11-3-1-9(2-4-11)20(35)24-5-10-6-27(26-25-10)21-17(33)16(32)19(13(8-29)38-21)40-22-18(34)15(31)14(30)12(7-28)39-22/h1-4,6,12-19,21-22,28-34H,5,7-8H2,(H,24,35)(H2,23,36,37)/t12-,13-,14-,15+,16-,17-,18-,19-,21-,22-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	267	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))	BDBM12939 (4-({[4-(Aminosulfonyl)benzoyl]amino}methyl-1-(beta...) Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)NCc1cn(nn1)[C@@H]1O[C@H](CO)[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O Show InChI InChI=1S/C22H31N5O13S/c23-41(36,37)11-3-1-9(2-4-11)20(35)24-5-10-6-27(26-25-10)21-17(33)16(32)19(13(8-29)38-21)40-22-18(34)15(31)14(30)12(7-28)39-22/h1-4,6,12-19,21-22,28-34H,5,7-8H2,(H,24,35)(H2,23,36,37)/t12-,13-,14-,15+,16-,17-,18-,19-,21-,22-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	1.10E+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
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM12939 (4-({[4-(Aminosulfonyl)benzoyl]amino}methyl-1-(beta...) Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)NCc1cn(nn1)[C@@H]1O[C@H](CO)[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O Show InChI InChI=1S/C22H31N5O13S/c23-41(36,37)11-3-1-9(2-4-11)20(35)24-5-10-6-27(26-25-10)21-17(33)16(32)19(13(8-29)38-21)40-22-18(34)15(31)14(30)12(7-28)39-22/h1-4,6,12-19,21-22,28-34H,5,7-8H2,(H,24,35)(H2,23,36,37)/t12-,13-,14-,15+,16-,17-,18-,19-,21-,22-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	9.50E+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