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BDBM14850 BIRB-796 Analog 41::N-(4-{3-tert-butyl-5-[({4-[2-(morpholin-4-yl)ethoxy]naphthalen-1-yl}carbamoyl)amino]-1H-pyrazol-1-yl}phenyl)acetamide::N-[4-(3-tert-Butyl-5-{3-[4-(2-morpholin-4-yl-ethoxy)-naphthalen-1-yl]-ureido}-pyrazol-1-yl)-phenyl]acetamide

SMILES: CC(=O)Nc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(OCCN2CCOCC2)c2ccccc12)C(C)(C)C

InChI Key: InChIKey=XIDKKVQQSVSGRR-UHFFFAOYSA-N

Data: 1 Kd

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 14850   
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
MAP kinase p38


(Mus musculus (mouse))
BDBM14850
PNG
(BIRB-796 Analog 41 | N-(4-{3-tert-butyl-5-[({4-[2-...)
Show SMILES CC(=O)Nc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(OCCN2CCOCC2)c2ccccc12)C(C)(C)C
Show InChI InChI=1S/C32H38N6O4/c1-22(39)33-23-9-11-24(12-10-23)38-30(21-29(36-38)32(2,3)4)35-31(40)34-27-13-14-28(26-8-6-5-7-25(26)27)42-20-17-37-15-18-41-19-16-37/h5-14,21H,15-20H2,1-4H3,(H,33,39)(H2,34,35,40)
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Similars

Article
PubMed
n/an/an/a 64n/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc



Assay Description
UV thermal melt experiments were carried out in a quartz cuvette loaded with sample containing enzyme and each test compound using a spectrophotomete...


J Med Chem 46: 4676-86 (2003)


Article DOI: 10.1021/jm030121k
BindingDB Entry DOI: 10.7270/Q24F1P00
More data for this
Ligand-Target Pair