Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 1' and Ligand = 'BDBM50330335'   

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))	BDBM50330335 (CHEMBL1276015 | Ethyl1-(3-((2-hydroxynaphthalen-1-...) Show SMILES CCOC(=O)c1c(nn(c1-c1ccccc1)-c1cccc(c1)N=Nc1c(O)ccc2ccccc12)C(=O)Nc1nnc(s1)S(N)(=O)=O |w:22.24| Show InChI InChI=1S/C31H24N8O6S2/c1-2-45-29(42)24-26(28(41)33-30-36-37-31(46-30)47(32,43)44)38-39(27(24)19-10-4-3-5-11-19)21-13-8-12-20(17-21)34-35-25-22-14-7-6-9-18(22)15-16-23(25)40/h3-17,40H,2H2,1H3,(H2,32,43,44)(H,33,36,41)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.48E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dumlupinar University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 1 by Lineweaver-Burk plot analysis				Eur J Med Chem 45: 4769-73 (2010) Article DOI: 10.1016/j.ejmech.2010.07.041 BindingDB Entry DOI: 10.7270/Q2X06796
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50330335 (CHEMBL1276015 | Ethyl1-(3-((2-hydroxynaphthalen-1-...) Show SMILES CCOC(=O)c1c(nn(c1-c1ccccc1)-c1cccc(c1)N=Nc1c(O)ccc2ccccc12)C(=O)Nc1nnc(s1)S(N)(=O)=O |w:22.24| Show InChI InChI=1S/C31H24N8O6S2/c1-2-45-29(42)24-26(28(41)33-30-36-37-31(46-30)47(32,43)44)38-39(27(24)19-10-4-3-5-11-19)21-13-8-12-20(17-21)34-35-25-22-14-7-6-9-18(22)15-16-23(25)40/h3-17,40H,2H2,1H3,(H2,32,43,44)(H,33,36,41)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	550	n/a	n/a	n/a	n/a	n/a	n/a
Dumlupinar University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 1 esterase activity by spectrophotometry				Eur J Med Chem 45: 4769-73 (2010) Article DOI: 10.1016/j.ejmech.2010.07.041 BindingDB Entry DOI: 10.7270/Q2X06796
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50330335 (CHEMBL1276015 | Ethyl1-(3-((2-hydroxynaphthalen-1-...) Show SMILES CCOC(=O)c1c(nn(c1-c1ccccc1)-c1cccc(c1)N=Nc1c(O)ccc2ccccc12)C(=O)Nc1nnc(s1)S(N)(=O)=O |w:22.24| Show InChI InChI=1S/C31H24N8O6S2/c1-2-45-29(42)24-26(28(41)33-30-36-37-31(46-30)47(32,43)44)38-39(27(24)19-10-4-3-5-11-19)21-13-8-12-20(17-21)34-35-25-22-14-7-6-9-18(22)15-16-23(25)40/h3-17,40H,2H2,1H3,(H2,32,43,44)(H,33,36,41)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.05E+3	n/a	n/a	n/a	n/a	n/a	n/a
Dumlupinar University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 1 hydratase activity by spectrophotometry				Eur J Med Chem 45: 4769-73 (2010) Article DOI: 10.1016/j.ejmech.2010.07.041 BindingDB Entry DOI: 10.7270/Q2X06796
					More data for this Ligand-Target Pair