Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 1' and Ligand = 'BDBM50167402'   

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))	BDBM50167402 (4-(2-((4-oxo-4H-chromen-3-yl)methyleneamino)pyrimi...) Show SMILES NS(=O)(=O)c1ccc(Nc2ccnc(\N=C\c3coc4ccccc4c3=O)n2)cc1 Show InChI InChI=1S/C20H15N5O4S/c21-30(27,28)15-7-5-14(6-8-15)24-18-9-10-22-20(25-18)23-11-13-12-29-17-4-2-1-3-16(17)19(13)26/h1-12H,(H2,21,27,28)(H,22,24,25)/b23-11+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	37	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ospedale San Lazzaro Curated by ChEMBL					Assay Description Inhibition constant against human carbonic anhydrase I				Bioorg Med Chem Lett 15: 3096-101 (2005) Article DOI: 10.1016/j.bmcl.2005.04.055 BindingDB Entry DOI: 10.7270/Q27M07FQ
					More data for this Ligand-Target Pair