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SMILES: COc1ccc(cc1)N1CCN(CC1)NC(=S)SCC(=O)NCc1ccc2OCOc2c1

InChI Key: InChIKey=AGBBPFYVZGIFQD-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50258999   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Carbonic anhydrase 1


(Homo sapiens (Human))		BDBM50258999
PNG
(CHEMBL4082586)
Show SMILES COc1ccc(cc1)N1CCN(CC1)NC(=S)SCC(=O)NCc1ccc2OCOc2c1
Show InChI InChI=1S/C22H26N4O4S2/c1-28-18-5-3-17(4-6-18)25-8-10-26(11-9-25)24-22(31)32-14-21(27)23-13-16-2-7-19-20(12-16)30-15-29-19/h2-7,12H,8-11,13-15H2,1H3,(H,23,27)(H,24,31)
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Similars
Article
PubMed
n/an/a 0.624n/an/an/an/an/an/a



Anadolu University

Curated by ChEMBL


Assay Description
Inhibition of human erythrocyte carbonic anhydrase-1

Eur J Med Chem 125: 190-196 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.035
BindingDB Entry DOI: 10.7270/Q2542R29
More data for this
Ligand-Target Pair