Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 1' and Ligand = 'BDBM50258998'   

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))	BDBM50258998 (CHEMBL4099344) Show SMILES O=C(CSC(=S)NN1CCSCC1)NCc1ccc2OCOc2c1 Show InChI InChI=1S/C15H19N3O3S3/c19-14(9-24-15(22)17-18-3-5-23-6-4-18)16-8-11-1-2-12-13(7-11)21-10-20-12/h1-2,7H,3-6,8-10H2,(H,16,19)(H,17,22)	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	0.288	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