Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 1' and Ligand = 'BDBM50209866'   

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))	BDBM50209866 (CHEMBL3883222) Show SMILES NS(=O)(=O)c1ccc(cc1)-c1nc2scc(-c3ccc(cc3)-c3ccccc3)n2n1 Show InChI InChI=1S/C22H16N4O2S2/c23-30(27,28)19-12-10-18(11-13-19)21-24-22-26(25-21)20(14-29-22)17-8-6-16(7-9-17)15-4-2-1-3-5-15/h1-14H,(H2,23,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	98	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kurukshetra University Curated by ChEMBL					Assay Description Inhibition of recombinant human erythrocyte cytosolic carbonic anhydrase 1 by stopped-flow CO2 hydration assay				Bioorg Med Chem 25: 1286-1293 (2017) Article DOI: 10.1016/j.bmc.2016.12.047 BindingDB Entry DOI: 10.7270/Q2222WSR
					More data for this Ligand-Target Pair