Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 1' and Ligand = 'BDBM50130738'   

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))	BDBM50130738 (CHEMBL3633548) Show SMILES NS(=O)(=O)c1ccc(cc1)-n1ncc(C(=O)N\N=C2/C(=O)N(Cc3ccccc3)c3ccccc23)c1-c1ccccc1 Show InChI InChI=1S/C31H24N6O4S/c32-42(40,41)24-17-15-23(16-18-24)37-29(22-11-5-2-6-12-22)26(19-33-37)30(38)35-34-28-25-13-7-8-14-27(25)36(31(28)39)20-21-9-3-1-4-10-21/h1-19H,20H2,(H,35,38)(H2,32,40,41)/b34-28-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	62	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Egyptian Russian University Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 1 expressed in Escherichia coli preincubated for 6 hrs by stopped flow CO2 hydrase assay				Eur J Med Chem 103: 583-93 (2015) Article DOI: 10.1016/j.ejmech.2015.09.021 BindingDB Entry DOI: 10.7270/Q2HH6MX8
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