Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 1' and Ligand = 'BDBM50467996'   

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))	BDBM50467996 (CHEMBL4282685) Show SMILES COc1ccc(cc1)-c1cs\c(=N/c2ccc(cc2)S(N)(=O)=O)n1-c1ccccc1 Show InChI InChI=1S/C22H19N3O3S2/c1-28-19-11-7-16(8-12-19)21-15-29-22(25(21)18-5-3-2-4-6-18)24-17-9-13-20(14-10-17)30(23,26)27/h2-15H,1H3,(H2,23,26,27)/b24-22-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.37E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Cagliari Curated by ChEMBL					Assay Description Inhibition of human CA1 by Lineweaver-Burk plot analysis				ACS Med Chem Lett 9: 1045-1050 (2018) Article DOI: 10.1021/acsmedchemlett.8b00352 BindingDB Entry DOI: 10.7270/Q21N83TH
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