Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 1' and Ligand = 'BDBM50107374'   

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))	BDBM50107374 (CHEMBL3601460) Show SMILES CC(=O)N1N=C(CC1c1c(C)nn(c1Cl)-c1ccc(cc1)S(N)(=O)=O)c1ccc(C)cc1 |c:4| Show InChI InChI=1S/C22H22ClN5O3S/c1-13-4-6-16(7-5-13)19-12-20(27(26-19)15(3)29)21-14(2)25-28(22(21)23)17-8-10-18(11-9-17)32(24,30)31/h4-11,20H,12H2,1-3H3,(H2,24,30,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	27	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kurukshetra University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase-1 incubated for 10 mins prior to testing by stopped-flow CO2 hydrase assay				Bioorg Med Chem Lett 25: 3208-12 (2015) Article DOI: 10.1016/j.bmcl.2015.05.096 BindingDB Entry DOI: 10.7270/Q2PC345N
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