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SMILES: CN1c2ccccc2OC[C@H](N2CCn3cc(Cc4ccccc4)nc3C2=O)C1=O

InChI Key: InChIKey=JUALEUIYXKGCTF-IBGZPJMESA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50244677   
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
Receptor-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))		BDBM50244677
PNG
(CHEMBL4066941)
Show SMILES CN1c2ccccc2OC[C@H](N2CCn3cc(Cc4ccccc4)nc3C2=O)C1=O |r|
Show InChI InChI=1S/C23H22N4O3/c1-25-18-9-5-6-10-20(18)30-15-19(22(25)28)27-12-11-26-14-17(24-21(26)23(27)29)13-16-7-3-2-4-8-16/h2-10,14,19H,11-13,15H2,1H3/t19-/m0/s1
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Article
PubMed
 107n/an/an/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of fluorescent-labeled 3-(3-((3-(4-amino-5-(4-(3-(2-fluoro-5-(trifluoromethyl)phenyl)ureido)-phenyl)-7H-pyrrolo[2,3-d]pyrimidin-7-yl)propy...

J Med Chem 61: 2384-2409 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01647
BindingDB Entry DOI: 10.7270/Q2V98BGX
More data for this
Ligand-Target Pair