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SMILES: Nc1ccccc1SC(=[NH2+])C(=C=[N-])c1cccc(c1)C(O)c1cccc(c1)[N+]([O-])=O

InChI Key: InChIKey=WKTNMLIDLFXEOQ-UHFFFAOYSA-O

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50141400   
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
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (Human))		BDBM50141400
PNG
((Z)-3-Amino-3-(2-amino-phenylsulfanyl)-2-{3-[hydro...)
Show SMILES Nc1ccccc1SC(=[NH2+])C(=C=[N-])c1cccc(c1)C(O)c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C22H17N4O3S/c23-13-18(22(25)30-20-10-2-1-9-19(20)24)14-5-3-6-15(11-14)21(27)16-7-4-8-17(12-16)26(28)29/h1-12,21,25,27H,24H2/q-1/p+1
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n/an/a 17n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceuticals Research Institute

Curated by ChEMBL


Assay Description
Inhibitory potency against mitogen activated protein kinase kinase kinase 1

Bioorg Med Chem Lett 14: 1483-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.012
BindingDB Entry DOI: 10.7270/Q2H131F0
More data for this
Ligand-Target Pair