Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 4' and Ligand = 'BDBM50185298'   

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 4 (Homo sapiens (Human))	BDBM50185298 (CHEMBL3823514) Show SMILES NS(=O)(=O)c1ccc(NC(=O)CCC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCC(=O)Nc2ccc(cc2)S(N)(=O)=O)cc1 Show InChI InChI=1S/C112H208N6O53S2/c113-172(123,124)107-5-1-105(2-6-107)117-111(121)11-9-109(119)115-13-15-127-17-19-129-21-23-131-25-27-133-29-31-135-33-35-137-37-39-139-41-43-141-45-47-143-49-51-145-53-55-147-57-59-149-61-63-151-65-67-153-69-71-155-73-75-157-77-79-159-81-83-161-85-87-163-89-91-165-93-95-167-97-99-169-101-103-171-104-102-170-100-98-168-96-94-166-92-90-164-88-86-162-84-82-160-80-78-158-76-74-156-72-70-154-68-66-152-64-62-150-60-58-148-56-54-146-52-50-144-48-46-142-44-42-140-40-38-138-36-34-136-32-30-134-28-26-132-24-22-130-20-18-128-16-14-116-110(120)10-12-112(122)118-106-3-7-108(8-4-106)173(114,125)126/h1-8H,9-104H2,(H,115,119)(H,116,120)(H,117,121)(H,118,122)(H2,113,123,124)(H2,114,125,126)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Temple University School of Pharmacy Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 4 preincubated for 15 mins prior to testing by stopped-flow CO2 hydration assay				J Med Chem 59: 5077-88 (2016) Article DOI: 10.1021/acs.jmedchem.6b00492 BindingDB Entry DOI: 10.7270/Q2HT2R80
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