Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 1' and Ligand = 'BDBM16649'   

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 1 (Homo sapiens (Human))	BDBM16649 (2,2-dimethyl-N-(4-sulfamoylphenyl)propanamide | 4-...) Show SMILES CC(C)(C)C(=O)Nc1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C11H16N2O3S/c1-11(2,3)10(14)13-8-4-6-9(7-5-8)17(12,15)16/h4-7H,1-3H3,(H,13,14)(H2,12,15,16)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	5.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Hebrew University of Jerusalem Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 1 preincubated with compound for 15 mins by carbon dioxide hydration assay				J Med Chem 54: 3977-81 (2011) Article DOI: 10.1021/jm200209n BindingDB Entry DOI: 10.7270/Q2736R8S
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM16649 (2,2-dimethyl-N-(4-sulfamoylphenyl)propanamide | 4-...) Show SMILES CC(C)(C)C(=O)Nc1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C11H16N2O3S/c1-11(2,3)10(14)13-8-4-6-9(7-5-8)17(12,15)16/h4-7H,1-3H3,(H,13,14)(H2,12,15,16)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.06E+4	-26.7	n/a	n/a	n/a	n/a	n/a	7.4	25
Universita degli Studi di Firenze					Assay Description Initial rates of 4-nitrophenyl acetate hydrolysis catalyzed by different CA isozymes were monitored spectrophotometrically at 400 nm. A molar absorpt...				J Med Chem 47: 1272-9 (2004) Article DOI: 10.1021/jm031057+ BindingDB Entry DOI: 10.7270/Q2MW2FDP
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM16649 (2,2-dimethyl-N-(4-sulfamoylphenyl)propanamide | 4-...) Show SMILES CC(C)(C)C(=O)Nc1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C11H16N2O3S/c1-11(2,3)10(14)13-8-4-6-9(7-5-8)17(12,15)16/h4-7H,1-3H3,(H,13,14)(H2,12,15,16)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.06E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibitiory activity against human Carbonic anhydrase I (hCA I)				Bioorg Med Chem Lett 15: 4862-6 (2005) Article DOI: 10.1016/j.bmcl.2005.08.048 BindingDB Entry DOI: 10.7270/Q2NK3DMJ
					More data for this Ligand-Target Pair