BDBM12932 4-({[4-(Aminosulfonyl)benzoyl]oxy}methyl-1-(2-acetamido-2-deoxy-3,4,6-tri-O-acetyl-beta-D-glucopyranosyl)-1H-1,2,3-tria::CHEMBL215182::Glycoconjugate Benzene Sulfonamide 3d::{1-[(2R,3R,4R,5S,6R)-3-acetamido-4,5-bis(acetyloxy)-6-[(acetyloxy)methyl]oxan-2-yl]-1H-1,2,3-triazol-4-yl}methyl 4-sulfamoylbenzoate

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

InChI Key: InChIKey=ANFIQSWBRXIYBF-GNJRFXKQSA-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 = 12932   

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))	BDBM12932 (4-({[4-(Aminosulfonyl)benzoyl]oxy}methyl-1-(2-acet...) Show SMILES CC(=O)N[C@@H]1[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](COC(C)=O)O[C@H]1n1cc(COC(=O)c2ccc(cc2)S(N)(=O)=O)nn1 Show InChI InChI=1S/C24H29N5O12S/c1-12(30)26-20-22(40-15(4)33)21(39-14(3)32)19(11-37-13(2)31)41-23(20)29-9-17(27-28-29)10-38-24(34)16-5-7-18(8-6-16)42(25,35)36/h5-9,19-23H,10-11H2,1-4H3,(H,26,30)(H2,25,35,36)/t19-,20-,21-,22-,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	3.90	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 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))	BDBM12932 (4-({[4-(Aminosulfonyl)benzoyl]oxy}methyl-1-(2-acet...) Show SMILES CC(=O)N[C@@H]1[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](COC(C)=O)O[C@H]1n1cc(COC(=O)c2ccc(cc2)S(N)(=O)=O)nn1 Show InChI InChI=1S/C24H29N5O12S/c1-12(30)26-20-22(40-15(4)33)21(39-14(3)32)19(11-37-13(2)31)41-23(20)29-9-17(27-28-29)10-38-24(34)16-5-7-18(8-6-16)42(25,35)36/h5-9,19-23H,10-11H2,1-4H3,(H,26,30)(H2,25,35,36)/t19-,20-,21-,22-,23-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	71	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))	BDBM12932 (4-({[4-(Aminosulfonyl)benzoyl]oxy}methyl-1-(2-acet...) Show SMILES CC(=O)N[C@@H]1[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](COC(C)=O)O[C@H]1n1cc(COC(=O)c2ccc(cc2)S(N)(=O)=O)nn1 Show InChI InChI=1S/C24H29N5O12S/c1-12(30)26-20-22(40-15(4)33)21(39-14(3)32)19(11-37-13(2)31)41-23(20)29-9-17(27-28-29)10-38-24(34)16-5-7-18(8-6-16)42(25,35)36/h5-9,19-23H,10-11H2,1-4H3,(H,26,30)(H2,25,35,36)/t19-,20-,21-,22-,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	218	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))	BDBM12932 (4-({[4-(Aminosulfonyl)benzoyl]oxy}methyl-1-(2-acet...) Show SMILES CC(=O)N[C@@H]1[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](COC(C)=O)O[C@H]1n1cc(COC(=O)c2ccc(cc2)S(N)(=O)=O)nn1 Show InChI InChI=1S/C24H29N5O12S/c1-12(30)26-20-22(40-15(4)33)21(39-14(3)32)19(11-37-13(2)31)41-23(20)29-9-17(27-28-29)10-38-24(34)16-5-7-18(8-6-16)42(25,35)36/h5-9,19-23H,10-11H2,1-4H3,(H,26,30)(H2,25,35,36)/t19-,20-,21-,22-,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	1.20E+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))	BDBM12932 (4-({[4-(Aminosulfonyl)benzoyl]oxy}methyl-1-(2-acet...) Show SMILES CC(=O)N[C@@H]1[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](COC(C)=O)O[C@H]1n1cc(COC(=O)c2ccc(cc2)S(N)(=O)=O)nn1 Show InChI InChI=1S/C24H29N5O12S/c1-12(30)26-20-22(40-15(4)33)21(39-14(3)32)19(11-37-13(2)31)41-23(20)29-9-17(27-28-29)10-38-24(34)16-5-7-18(8-6-16)42(25,35)36/h5-9,19-23H,10-11H2,1-4H3,(H,26,30)(H2,25,35,36)/t19-,20-,21-,22-,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	5.10E+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