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BDBM50336188 8-{[5-Chloro-2-(4-{[1-(3-hydroxypropyl)-1H-pyrazol-4-yl]methyl}piperazin-1-yl)isonicotinoyl]amino}-1-(4-fluorophenyl)-4,5-dihydro-1H-benzo[g]indazole-3-carboxamide::CHEMBL1669595

SMILES: NC(=O)c1nn(c-2c1CCc1ccc(NC(=O)c3cc(ncc3Cl)N3CCN(Cc4cnn(CCCO)c4)CC3)cc-21)-c1ccc(F)cc1

InChI Key: InChIKey=LWGAEQZMVWXORJ-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50336188   
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
Inhibitor of nuclear factor kappa-B kinase subunit beta


(Homo sapiens (Human))
BDBM50336188
PNG
(8-{[5-Chloro-2-(4-{[1-(3-hydroxypropyl)-1H-pyrazol...)
Show SMILES NC(=O)c1nn(c-2c1CCc1ccc(NC(=O)c3cc(ncc3Cl)N3CCN(Cc4cnn(CCCO)c4)CC3)cc-21)-c1ccc(F)cc1
Show InChI InChI=1S/C35H35ClFN9O3/c36-30-19-39-31(44-13-11-43(12-14-44)20-22-18-40-45(21-22)10-1-15-47)17-29(30)35(49)41-25-6-2-23-3-9-27-32(34(38)48)42-46(33(27)28(23)16-25)26-7-4-24(37)5-8-26/h2,4-8,16-19,21,47H,1,3,9-15,20H2,(H2,38,48)(H,41,49)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.20n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant IKK2 in human PBMC


Bioorg Med Chem 19: 1242-55 (2011)


Article DOI: 10.1016/j.bmc.2010.12.027
BindingDB Entry DOI: 10.7270/Q2F76CTN
More data for this
Ligand-Target Pair