Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 1' and Ligand = 'BDBM50502610'   

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))	BDBM50502610 (CHEMBL4466186) Show SMILES OB1OCc2ccc(NC(=O)\C=C\C=C\C(=O)Nc3ccc4COB(O)c4c3)cc12 Show InChI InChI=1S/C20H18B2N2O6/c25-19(23-15-7-5-13-11-29-21(27)17(13)9-15)3-1-2-4-20(26)24-16-8-6-14-12-30-22(28)18(14)10-16/h1-10,27-28H,11-12H2,(H,23,25)(H,24,26)/b3-1+,4-2+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Montpellier Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 1 assessed as reduction in CO2 hydration preincubated for 15 mins to 2 hrs by phenol red dye based stopped flo...				ACS Med Chem Lett 10: 1205-1210 (2019) Article DOI: 10.1021/acsmedchemlett.9b00252 BindingDB Entry DOI: 10.7270/Q21C2137
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