Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 1' and Ligand = 'BDBM50346731'   

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))	BDBM50346731 (CHEMBL1797786) Show SMILES CCB(CC)OC(=O)[C@@H](N)CCCCNC(=S)NCCc1ccc(cc1)S(N)(=O)=O |r| Show InChI InChI=1S/C19H33BN4O4S2/c1-3-20(4-2)28-18(25)17(21)7-5-6-13-23-19(29)24-14-12-15-8-10-16(11-9-15)30(22,26)27/h8-11,17H,3-7,12-14,21H2,1-2H3,(H2,22,26,27)(H2,23,24,29)/t17-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	94	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ecole Nationale Sup£rieure de Chimie de Montpellier Curated by ChEMBL					Assay Description Inhibition of human full length cytosolic isoform of carbonic anhydrase 1 preincubated for 15 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem Lett 21: 2975-9 (2011) Article DOI: 10.1016/j.bmcl.2011.03.055 BindingDB Entry DOI: 10.7270/Q24X585M
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