BDBM12935 4-({[4-(Aminosulfonyl)benzoyl]amino}methyl-1-(beta-D-glucuronic acid methyl ester)-1H-1,2,3-triazole::CHEMBL217683::Glycoconjugate Benzene Sulfonamide 2ee::methyl (2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-(4-{[(4-sulfamoylphenyl)formamido]methyl}-1H-1,2,3-triazol-1-yl)oxane-2-carboxylate

SMILES: COC(=O)[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)n1cc(CNC(=O)c2ccc(cc2)S(N)(=O)=O)nn1

InChI Key: InChIKey=IGHVSONBMNVCSR-JHZZJYKESA-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 = 12935   

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 9 (Homo sapiens (Human))	BDBM12935 (4-({[4-(Aminosulfonyl)benzoyl]amino}methyl-1-(beta...) Show SMILES COC(=O)[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)n1cc(CNC(=O)c2ccc(cc2)S(N)(=O)=O)nn1 Show InChI InChI=1S/C17H21N5O9S/c1-30-17(27)14-12(24)11(23)13(25)16(31-14)22-7-9(20-21-22)6-19-15(26)8-2-4-10(5-3-8)32(18,28)29/h2-5,7,11-14,16,23-25H,6H2,1H3,(H,19,26)(H2,18,28,29)/t11-,12-,13+,14-,16+/m0/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	23	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 14 (Homo sapiens (Human))	BDBM12935 (4-({[4-(Aminosulfonyl)benzoyl]amino}methyl-1-(beta...) Show SMILES COC(=O)[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)n1cc(CNC(=O)c2ccc(cc2)S(N)(=O)=O)nn1 Show InChI InChI=1S/C17H21N5O9S/c1-30-17(27)14-12(24)11(23)13(25)16(31-14)22-7-9(20-21-22)6-19-15(26)8-2-4-10(5-3-8)32(18,28)29/h2-5,7,11-14,16,23-25H,6H2,1H3,(H,19,26)(H2,18,28,29)/t11-,12-,13+,14-,16+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	105	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))	BDBM12935 (4-({[4-(Aminosulfonyl)benzoyl]amino}methyl-1-(beta...) Show SMILES COC(=O)[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)n1cc(CNC(=O)c2ccc(cc2)S(N)(=O)=O)nn1 Show InChI InChI=1S/C17H21N5O9S/c1-30-17(27)14-12(24)11(23)13(25)16(31-14)22-7-9(20-21-22)6-19-15(26)8-2-4-10(5-3-8)32(18,28)29/h2-5,7,11-14,16,23-25H,6H2,1H3,(H,19,26)(H2,18,28,29)/t11-,12-,13+,14-,16+/m0/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	378	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 12 (Homo sapiens (Human))	BDBM12935 (4-({[4-(Aminosulfonyl)benzoyl]amino}methyl-1-(beta...) Show SMILES COC(=O)[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)n1cc(CNC(=O)c2ccc(cc2)S(N)(=O)=O)nn1 Show InChI InChI=1S/C17H21N5O9S/c1-30-17(27)14-12(24)11(23)13(25)16(31-14)22-7-9(20-21-22)6-19-15(26)8-2-4-10(5-3-8)32(18,28)29/h2-5,7,11-14,16,23-25H,6H2,1H3,(H,19,26)(H2,18,28,29)/t11-,12-,13+,14-,16+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	388	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 1 (Homo sapiens (Human))	BDBM12935 (4-({[4-(Aminosulfonyl)benzoyl]amino}methyl-1-(beta...) Show SMILES COC(=O)[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)n1cc(CNC(=O)c2ccc(cc2)S(N)(=O)=O)nn1 Show InChI InChI=1S/C17H21N5O9S/c1-30-17(27)14-12(24)11(23)13(25)16(31-14)22-7-9(20-21-22)6-19-15(26)8-2-4-10(5-3-8)32(18,28)29/h2-5,7,11-14,16,23-25H,6H2,1H3,(H,19,26)(H2,18,28,29)/t11-,12-,13+,14-,16+/m0/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	2.40E+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