Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 1' and Ligand = 'BDBM50235689'   

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))	BDBM50235689 (CHEMBL3288908) Show SMILES CC(=O)c1nn(-c2ccc(cc2)S(N)(=O)=O)c2nc3nc(cc(-c4ccccc4)c3c(=O)n12)-c1cccs1 Show InChI InChI=1S/C26H18N6O4S2/c1-15(33)24-30-32(17-9-11-18(12-10-17)38(27,35)36)26-29-23-22(25(34)31(24)26)19(16-6-3-2-4-7-16)14-20(28-23)21-8-5-13-37-21/h2-14H,1H3,(H2,27,35,36)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.78E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Wollongong Curated by ChEMBL					Assay Description Inhibition of human platelet adhesion to fibrinogen				Bioorg Med Chem 25: 2210-2217 (2017) Article DOI: 10.1016/j.bmc.2017.02.037 BindingDB Entry DOI: 10.7270/Q2SX6GGD
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