Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 1' and Ligand = 'BDBM50253871'   

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))	BDBM50253871 (CHEMBL4097126) Show SMILES NS(=O)(=O)c1ccc(NC(=S)N\N=C2/C(=O)Nc3ccc(cc23)[N+]([O-])=O)cc1 Show InChI InChI=1S/C15H12N6O5S2/c16-28(25,26)10-4-1-8(2-5-10)17-15(27)20-19-13-11-7-9(21(23)24)3-6-12(11)18-14(13)22/h1-7H,(H2,16,25,26)(H2,17,20,27)(H,18,19,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	69	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Istanbul University Curated by ChEMBL					Assay Description Inhibition of recombinant human cytosolic carbonic anhydrase 1 expressed in Escherichia coli pretreated for 15 mins prior to testing by stopped-flow ...				Bioorg Med Chem 25: 3714-3718 (2017) Article DOI: 10.1016/j.bmc.2017.05.029 BindingDB Entry DOI: 10.7270/Q2Z03BMN
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