BDBM12940 4-({[4-(Aminosulfonyl)benzoyl]oxy}methyl-1-(hepta-O-acetyl-beta-D-maltosyl)-1H-1,2,3-triazole::CHEMBL215156::Glycoconjugate Benzene Sulfonamide 3f::{1-[(2R,3R,4S,5R,6R)-3,4-bis(acetyloxy)-6-[(acetyloxy)methyl]-5-{[(2R,3R,4S,5R,6R)-3,4,5-tris(acetyloxy)-6-[(acetyloxy)methyl]oxan-2-yl]oxy}oxan-2-yl]-1H-1,2,3-triazol-4-yl}methyl 4-sulfamoylbenzoate

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

InChI Key: InChIKey=KZMAZABYYSIEOQ-GQAOYTFRSA-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 = 12940   

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))	BDBM12940 (4-({[4-(Aminosulfonyl)benzoyl]oxy}methyl-1-(hepta-...) Show SMILES CC(=O)OC[C@H]1O[C@H]([C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1O[C@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O)n1cc(COC(=O)c2ccc(cc2)S(N)(=O)=O)nn1 Show InChI InChI=1S/C36H44N4O21S/c1-16(41)51-14-26-29(61-36-33(58-22(7)47)31(56-20(5)45)28(54-18(3)43)27(60-36)15-52-17(2)42)30(55-19(4)44)32(57-21(6)46)34(59-26)40-12-24(38-39-40)13-53-35(48)23-8-10-25(11-9-23)62(37,49)50/h8-12,26-34,36H,13-15H2,1-7H3,(H2,37,49,50)/t26-,27-,28-,29-,30+,31+,32-,33-,34-,36-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.70	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 XIV (Homo sapiens (Human))	BDBM12940 (4-({[4-(Aminosulfonyl)benzoyl]oxy}methyl-1-(hepta-...) Show SMILES CC(=O)OC[C@H]1O[C@H]([C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1O[C@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O)n1cc(COC(=O)c2ccc(cc2)S(N)(=O)=O)nn1 Show InChI InChI=1S/C36H44N4O21S/c1-16(41)51-14-26-29(61-36-33(58-22(7)47)31(56-20(5)45)28(54-18(3)43)27(60-36)15-52-17(2)42)30(55-19(4)44)32(57-21(6)46)34(59-26)40-12-24(38-39-40)13-53-35(48)23-8-10-25(11-9-23)62(37,49)50/h8-12,26-34,36H,13-15H2,1-7H3,(H2,37,49,50)/t26-,27-,28-,29-,30+,31+,32-,33-,34-,36-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	73	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 9 (Homo sapiens (Human))	BDBM12940 (4-({[4-(Aminosulfonyl)benzoyl]oxy}methyl-1-(hepta-...) Show SMILES CC(=O)OC[C@H]1O[C@H]([C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1O[C@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O)n1cc(COC(=O)c2ccc(cc2)S(N)(=O)=O)nn1 Show InChI InChI=1S/C36H44N4O21S/c1-16(41)51-14-26-29(61-36-33(58-22(7)47)31(56-20(5)45)28(54-18(3)43)27(60-36)15-52-17(2)42)30(55-19(4)44)32(57-21(6)46)34(59-26)40-12-24(38-39-40)13-53-35(48)23-8-10-25(11-9-23)62(37,49)50/h8-12,26-34,36H,13-15H2,1-7H3,(H2,37,49,50)/t26-,27-,28-,29-,30+,31+,32-,33-,34-,36-/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	130	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 2 (Homo sapiens (Human))	BDBM12940 (4-({[4-(Aminosulfonyl)benzoyl]oxy}methyl-1-(hepta-...) Show SMILES CC(=O)OC[C@H]1O[C@H]([C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1O[C@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O)n1cc(COC(=O)c2ccc(cc2)S(N)(=O)=O)nn1 Show InChI InChI=1S/C36H44N4O21S/c1-16(41)51-14-26-29(61-36-33(58-22(7)47)31(56-20(5)45)28(54-18(3)43)27(60-36)15-52-17(2)42)30(55-19(4)44)32(57-21(6)46)34(59-26)40-12-24(38-39-40)13-53-35(48)23-8-10-25(11-9-23)62(37,49)50/h8-12,26-34,36H,13-15H2,1-7H3,(H2,37,49,50)/t26-,27-,28-,29-,30+,31+,32-,33-,34-,36-/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	423	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))	BDBM12940 (4-({[4-(Aminosulfonyl)benzoyl]oxy}methyl-1-(hepta-...) Show SMILES CC(=O)OC[C@H]1O[C@H]([C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1O[C@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O)n1cc(COC(=O)c2ccc(cc2)S(N)(=O)=O)nn1 Show InChI InChI=1S/C36H44N4O21S/c1-16(41)51-14-26-29(61-36-33(58-22(7)47)31(56-20(5)45)28(54-18(3)43)27(60-36)15-52-17(2)42)30(55-19(4)44)32(57-21(6)46)34(59-26)40-12-24(38-39-40)13-53-35(48)23-8-10-25(11-9-23)62(37,49)50/h8-12,26-34,36H,13-15H2,1-7H3,(H2,37,49,50)/t26-,27-,28-,29-,30+,31+,32-,33-,34-,36-/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	3.90E+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