Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 1' and Ligand = 'BDBM50211600'   

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))	BDBM50211600 (CHEMBL3907577) Show SMILES Nc1onc(c1C(=O)Nc1ccc(cc1)S(N)(=O)=O)-c1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C16H13N5O6S/c17-15-13(14(20-27-15)9-1-5-11(6-2-9)21(23)24)16(22)19-10-3-7-12(8-4-10)28(18,25)26/h1-8H,17H2,(H,19,22)(H2,18,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	4.76E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abant Izzet Baysal University Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 1 assessed as reduction in CO2 hydration preincubated for 15 mins by stopped flow assay				Bioorg Med Chem 25: 1456-1464 (2017) Article DOI: 10.1016/j.bmc.2017.01.008 BindingDB Entry DOI: 10.7270/Q2MS3VXQ
					More data for this Ligand-Target Pair