Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 9' and Ligand = 'BDBM50116434'   

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))	BDBM50116434 (CHEMBL3604418) Show SMILES CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(=O)N[C@@H](CC(C)C)C(N)=O |r| Show InChI InChI=1S/C19H31N3O4S/c1-5-11-22(12-6-2)27(25,26)16-9-7-15(8-10-16)19(24)21-17(18(20)23)13-14(3)4/h7-10,14,17H,5-6,11-13H2,1-4H3,(H2,20,23)(H,21,24)/t17-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	150	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
'G. D'Annunzio' University of Chieti-Pescara Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase-9 incubated for 15 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem 23: 5311-8 (2015) Article DOI: 10.1016/j.bmc.2015.07.066 BindingDB Entry DOI: 10.7270/Q2D50PQR
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