Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 1' and Ligand = 'BDBM35732'   

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))	BDBM35732 (sulfonamide deriv., 6) Show SMILES NS(=O)(=O)c1nnc(NC(=O)Cc2cccs2)s1 Show InChI InChI=1S/C8H8N4O3S3/c9-18(14,15)8-12-11-7(17-8)10-6(13)4-5-2-1-3-16-5/h1-3H,4H2,(H2,9,14,15)(H,10,11,13)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem	Article PubMed	72	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Istanbul University Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 1 by stopped flow CO2 hydration method				Bioorg Med Chem Lett 19: 3170-3 (2009) Article DOI: 10.1016/j.bmcl.2009.04.123 BindingDB Entry DOI: 10.7270/Q2TQ61V6
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM35732 (sulfonamide deriv., 6) Show SMILES NS(=O)(=O)c1nnc(NC(=O)Cc2cccs2)s1 Show InChI InChI=1S/C8H8N4O3S3/c9-18(14,15)8-12-11-7(17-8)10-6(13)4-5-2-1-3-16-5/h1-3H,4H2,(H2,9,14,15)(H,10,11,13)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem	Article PubMed	72	-40.8	n/a	n/a	n/a	n/a	n/a	7.4	25
Istanbul University					Assay Description An SX.18MV-R Applied Photophysics (Oxford, UK) stopped-flow instrument has been used to assay the catalytic/inhibition of various CA isozymes. Phenol...				Bioorg Med Chem 17: 4894-9 (2009) Article DOI: 10.1016/j.bmc.2009.06.006 BindingDB Entry DOI: 10.7270/Q2RJ4GT1
					More data for this Ligand-Target Pair