Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 1' and Ligand = 'BDBM50329828'   

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))	BDBM50329828 (2-Chloro-5-{[2-(4-morpholinylmethyl)-1H-benzimidaz...) Show SMILES NS(=O)(=O)c1cc(ccc1Cl)C(=O)Cn1c(CN2CCOCC2)nc2ccccc12 Show InChI InChI=1S/C20H21ClN4O4S/c21-15-6-5-14(11-19(15)30(22,27)28)18(26)12-25-17-4-2-1-3-16(17)23-20(25)13-24-7-9-29-10-8-24/h1-6,11H,7-10,12-13H2,(H2,22,27,28)	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	n/a	4.00E+4	n/a	n/a	n/a	n/a	n/a
Institute of Biotechnology Curated by ChEMBL					Assay Description Binding affinity to human recombinant carbonic anhydrase 1 by thermal shift assay				Bioorg Med Chem 18: 7357-64 (2010) Article DOI: 10.1016/j.bmc.2010.09.016 BindingDB Entry DOI: 10.7270/Q21V5F6H
					More data for this Ligand-Target Pair