Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 1' and Ligand = 'BDBM50382727'   

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))	BDBM50382727 (CHEMBL2023167) Show SMILES [S-]C(=S)NCCN(CCNC([S-])=S)CCNC([S-])=S Show InChI InChI=1S/C9H18N4S6/c14-7(15)10-1-4-13(5-2-11-8(16)17)6-3-12-9(18)19/h1-6H2,(H2,10,14,15)(H2,11,16,17)(H2,12,18,19)/p-3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	32	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of human CA1 pre-incubated for 15 mins by stopped-flow CO2 hydration method				J Med Chem 55: 1721-30 (2012) Article DOI: 10.1021/jm300031j BindingDB Entry DOI: 10.7270/Q2GQ6ZSC
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