Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 9' and Ligand = 'BDBM50171181'   

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))	BDBM50171181 (CHEMBL3806081) Show SMILES COc1ccc(cc1)-c1nn(cc1\C=N/Nc1nc(cs1)-c1cc2cc(Br)ccc2oc1=O)-c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C29H21BrN6O5S2/c1-40-22-7-2-17(3-8-22)27-19(15-36(35-27)21-5-9-23(10-6-21)43(31,38)39)14-32-34-29-33-25(16-42-29)24-13-18-12-20(30)4-11-26(18)41-28(24)37/h2-16H,1H3,(H,33,34)(H2,31,38,39)/b32-14-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	20	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 human carbonic anhydrase 9 using saturated CO2 as substrate incubated for 10 mins prior to testing by stopped-flow CO2 hydrase assay				Bioorg Med Chem 24: 2882-2886 (2016) Article DOI: 10.1016/j.bmc.2016.04.052 BindingDB Entry DOI: 10.7270/Q2F47R2P
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