Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 9' and Ligand = 'BDBM50504285'   

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 9 (Homo sapiens (Human))	BDBM50504285 (CHEMBL4446195) Show SMILES CCN(CC)c1ccc(C=O)c(OCc2cn(CCCOc3ccc4ccc(=O)oc4c3)nn2)c1 Show InChI InChI=1S/C26H28N4O5/c1-3-29(4-2)22-9-6-20(17-31)24(14-22)34-18-21-16-30(28-27-21)12-5-13-33-23-10-7-19-8-11-26(32)35-25(19)15-23/h6-11,14-17H,3-5,12-13,18H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	158	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bezmialem Vakif University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 9 incubated for 10 mins prior to testing measured for 5 to 10 secs by phenol red-based stopped-flow CO2 hydrat...				Eur J Med Chem 183: (2019) Article DOI: 10.1016/j.ejmech.2019.111702 BindingDB Entry DOI: 10.7270/Q2NK3J8Q
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