Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 1' and Ligand = 'BDBM50093557'   

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))	BDBM50093557 (CHEMBL3585755) Show SMILES CCOc1ccc(cc1-c1nnc2n(nc(C)c2n1)-c1ccc(C)cc1)S(=O)(=O)N[C@H](C)CC |r| Show InChI InChI=1S/C24H28N6O3S/c1-6-16(4)29-34(31,32)19-12-13-21(33-7-2)20(14-19)23-25-22-17(5)28-30(24(22)27-26-23)18-10-8-15(3)9-11-18/h8-14,16,29H,6-7H2,1-5H3/t16-/m1/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	3.72E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Siedlce University of Natural Sciences and Humanities Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase-2 pre-incubated for 15 mins by stopped-flow CO2 hydration assay based Lineweaver-Burk plot method				Bioorg Med Chem 23: 3674-80 (2015) Article DOI: 10.1016/j.bmc.2015.04.011 BindingDB Entry DOI: 10.7270/Q2SJ1NCF
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