Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 2' and Ligand = 'BDBM50101343'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50101343 ((4-Sulfamoyl-benzoylamino)-acetic acid | CHEMBL513...) Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)NCC(O)=O Show InChI InChI=1S/C9H10N2O5S/c10-17(15,16)7-3-1-6(2-4-7)9(14)11-5-8(12)13/h1-4H,5H2,(H,11,14)(H,12,13)(H2,10,15,16)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	85	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi Curated by ChEMBL					Assay Description Binding affinity against human carbonic anhydrase II (hCA -II)				Bioorg Med Chem Lett 11: 1787-91 (2001) BindingDB Entry DOI: 10.7270/Q2K64JM5
					More data for this Ligand-Target Pair				3D Structure (docked)
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50101343 ((4-Sulfamoyl-benzoylamino)-acetic acid | CHEMBL513...) Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)NCC(O)=O Show InChI InChI=1S/C9H10N2O5S/c10-17(15,16)7-3-1-6(2-4-7)9(14)11-5-8(12)13/h1-4H,5H2,(H,11,14)(H,12,13)(H2,10,15,16)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	n/a	330	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Dissociation constant was determined against human carbonic anhydrase II at 37 degree Centigrade in experiment 2				Bioorg Med Chem Lett 6: 559-564 (1996) Article DOI: 10.1016/0960-894X(96)00069-8 BindingDB Entry DOI: 10.7270/Q2V124SF
					More data for this Ligand-Target Pair				3D Structure (docked)
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50101343 ((4-Sulfamoyl-benzoylamino)-acetic acid | CHEMBL513...) Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)NCC(O)=O Show InChI InChI=1S/C9H10N2O5S/c10-17(15,16)7-3-1-6(2-4-7)9(14)11-5-8(12)13/h1-4H,5H2,(H,11,14)(H,12,13)(H2,10,15,16)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	n/a	310	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Kinetic constant for binding human carbonic anhydrase II				Bioorg Med Chem Lett 6: 559-564 (1996) Article DOI: 10.1016/0960-894X(96)00069-8 BindingDB Entry DOI: 10.7270/Q2V124SF
					More data for this Ligand-Target Pair				3D Structure (docked)
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50101343 ((4-Sulfamoyl-benzoylamino)-acetic acid | CHEMBL513...) Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)NCC(O)=O Show InChI InChI=1S/C9H10N2O5S/c10-17(15,16)7-3-1-6(2-4-7)9(14)11-5-8(12)13/h1-4H,5H2,(H,11,14)(H,12,13)(H2,10,15,16)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	n/a	n/a	n/a	n/a	3.61E+7	n/a	n/a
TBA Curated by ChEMBL					Assay Description Kinetic constant for binding human carbonic anhydrase II (Kon=Kd x Koff)				Bioorg Med Chem Lett 6: 559-564 (1996) Article DOI: 10.1016/0960-894X(96)00069-8 BindingDB Entry DOI: 10.7270/Q2V124SF
					More data for this Ligand-Target Pair				3D Structure (docked)
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50101343 ((4-Sulfamoyl-benzoylamino)-acetic acid | CHEMBL513...) Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)NCC(O)=O Show InChI InChI=1S/C9H10N2O5S/c10-17(15,16)7-3-1-6(2-4-7)9(14)11-5-8(12)13/h1-4H,5H2,(H,11,14)(H,12,13)(H2,10,15,16)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	n/a	n/a	n/a	0.120	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Dissociation constant against human carbonic anhydrase II at 37 degree centigrade				Bioorg Med Chem Lett 6: 559-564 (1996) Article DOI: 10.1016/0960-894X(96)00069-8 BindingDB Entry DOI: 10.7270/Q2V124SF
					More data for this Ligand-Target Pair				3D Structure (docked)