Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 1' and Ligand = 'BDBM50230193'   

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))	BDBM50230193 (CHEMBL4097542) Show SMILES C[S+]([O-])c1ccc(\C=C2\C(C)=C(CC(=O)NCCOc3ccc4oc(=O)ccc4c3)c3cc(F)ccc23)cc1 |t:10| Show InChI InChI=1S/C31H26FNO5S/c1-19-26(15-20-3-8-24(9-4-20)39(2)36)25-10-6-22(32)17-28(25)27(19)18-30(34)33-13-14-37-23-7-11-29-21(16-23)5-12-31(35)38-29/h3-12,15-17H,13-14,18H2,1-2H3,(H,33,34)/b26-15-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibition of recombinant human CA1 preincubated for 15 mins by stopped-flow CO2 hydration assay				J Med Chem 60: 1159-1170 (2017) Article DOI: 10.1021/acs.jmedchem.6b01607 BindingDB Entry DOI: 10.7270/Q2PC34NX
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