Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 1' and Ligand = 'BDBM50258997'   

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))	BDBM50258997 (CHEMBL4089189) Show SMILES O=C(CSC(=S)NN1CCCCC1)NCc1ccc2OCOc2c1 Show InChI InChI=1S/C16H21N3O3S2/c20-15(10-24-16(23)18-19-6-2-1-3-7-19)17-9-12-4-5-13-14(8-12)22-11-21-13/h4-5,8H,1-3,6-7,9-11H2,(H,17,20)(H,18,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.556	n/a	n/a	n/a	n/a	n/a	n/a
Anadolu University Curated by ChEMBL					Assay Description Inhibition of human erythrocyte carbonic anhydrase-1				Eur J Med Chem 125: 190-196 (2017) Article DOI: 10.1016/j.ejmech.2016.09.035 BindingDB Entry DOI: 10.7270/Q2542R29
					More data for this Ligand-Target Pair