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BDBM50327180 5-(3-tert-butyl-5-(3-naphthalen-1-ylureido)-1H-pyrazol-1-yl)-N-(cyanomethyl)-2-methylbenzamide::CHEMBL1257930

SMILES: Cc1ccc(cc1C(=O)NCC#N)-n1nc(cc1NC(=O)Nc1cccc2ccccc12)C(C)(C)C

InChI Key: InChIKey=AUISCILDAZIGDV-UHFFFAOYSA-N

Data: 1 KI  1 Kd

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50327180   
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
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50327180
PNG
(5-(3-tert-butyl-5-(3-naphthalen-1-ylureido)-1H-pyr...)
Show SMILES Cc1ccc(cc1C(=O)NCC#N)-n1nc(cc1NC(=O)Nc1cccc2ccccc12)C(C)(C)C
Show InChI InChI=1S/C28H28N6O2/c1-18-12-13-20(16-22(18)26(35)30-15-14-29)34-25(17-24(33-34)28(2,3)4)32-27(36)31-23-11-7-9-19-8-5-6-10-21(19)23/h5-13,16-17H,15H2,1-4H3,(H,30,35)(H2,31,32,36)
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
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AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
252n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to full-length GST-tagged p38alpha after 2.5 hrs by TR-FRET competition binding assay


Bioorg Med Chem Lett 20: 5787-92 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.097
BindingDB Entry DOI: 10.7270/Q2MC907J
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50327180
PNG
(5-(3-tert-butyl-5-(3-naphthalen-1-ylureido)-1H-pyr...)
Show SMILES Cc1ccc(cc1C(=O)NCC#N)-n1nc(cc1NC(=O)Nc1cccc2ccccc12)C(C)(C)C
Show InChI InChI=1S/C28H28N6O2/c1-18-12-13-20(16-22(18)26(35)30-15-14-29)34-25(17-24(33-34)28(2,3)4)32-27(36)31-23-11-7-9-19-8-5-6-10-21(19)23/h5-13,16-17H,15H2,1-4H3,(H,30,35)(H2,31,32,36)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 55n/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to full-length GST-tagged p38alpha by surface plasmon resonance assay


Bioorg Med Chem Lett 20: 5787-92 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.097
BindingDB Entry DOI: 10.7270/Q2MC907J
More data for this
Ligand-Target Pair