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BDBM50130248 CHEMBL79004::N-(6-Chloro-9H-beta-carbolin-8-yl)-nicotinamide::PS-1145

SMILES: Clc1cc(NC(=O)c2cccnc2)c2[nH]c3cnccc3c2c1

InChI Key: InChIKey=JZRMBDHPALEPDM-UHFFFAOYSA-N

Data: 7 IC50  1 EC50

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 8 hits for monomerid = 50130248   
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 alpha


(Homo sapiens (Human))
BDBM50130248
PNG
(CHEMBL79004 | N-(6-Chloro-9H-beta-carbolin-8-yl)-n...)
Show SMILES Clc1cc(NC(=O)c2cccnc2)c2[nH]c3cnccc3c2c1
Show InChI InChI=1S/C17H11ClN4O/c18-11-6-13-12-3-5-20-9-15(12)21-16(13)14(7-11)22-17(23)10-2-1-4-19-8-10/h1-9,21H,(H,22,23)
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n/an/a 100n/an/an/an/an/an/a



Millennium Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against IkappaB kinase(IKK) isolated from HeLa cells activated with recombinant MEEK1 in an ELISA phosphorylaton assay.


Bioorg Med Chem Lett 13: 2419-22 (2003)


BindingDB Entry DOI: 10.7270/Q2PK0FJ7
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta


(Homo sapiens (Human))
BDBM50130248
PNG
(CHEMBL79004 | N-(6-Chloro-9H-beta-carbolin-8-yl)-n...)
Show SMILES Clc1cc(NC(=O)c2cccnc2)c2[nH]c3cnccc3c2c1
Show InChI InChI=1S/C17H11ClN4O/c18-11-6-13-12-3-5-20-9-15(12)21-16(13)14(7-11)22-17(23)10-2-1-4-19-8-10/h1-9,21H,(H,22,23)
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n/an/a 250n/an/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Inhibition of IKK-beta in the presence of 5uM ATP


Biochem J 408: 297-315 (2007)


Article DOI: 10.1042/BJ20070797
BindingDB Entry DOI: 10.7270/Q27082B4
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM50130248
PNG
(CHEMBL79004 | N-(6-Chloro-9H-beta-carbolin-8-yl)-n...)
Show SMILES Clc1cc(NC(=O)c2cccnc2)c2[nH]c3cnccc3c2c1
Show InChI InChI=1S/C17H11ClN4O/c18-11-6-13-12-3-5-20-9-15(12)21-16(13)14(7-11)22-17(23)10-2-1-4-19-8-10/h1-9,21H,(H,22,23)
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n/an/a 1.10E+3n/an/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Inhibition of PIM1 in the presence of 20uM ATP


Biochem J 408: 297-315 (2007)


Article DOI: 10.1042/BJ20070797
BindingDB Entry DOI: 10.7270/Q27082B4
More data for this
Ligand-Target Pair
Protein kinase C (PKC)


(Homo sapiens (Human))
BDBM50130248
PNG
(CHEMBL79004 | N-(6-Chloro-9H-beta-carbolin-8-yl)-n...)
Show SMILES Clc1cc(NC(=O)c2cccnc2)c2[nH]c3cnccc3c2c1
Show InChI InChI=1S/C17H11ClN4O/c18-11-6-13-12-3-5-20-9-15(12)21-16(13)14(7-11)22-17(23)10-2-1-4-19-8-10/h1-9,21H,(H,22,23)
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n/an/a>2.50E+4n/an/an/an/an/an/a



Millennium Pharmaceuticals Inc.

Curated by ChEMBL




Bioorg Med Chem Lett 13: 2419-22 (2003)


BindingDB Entry DOI: 10.7270/Q2PK0FJ7
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta


(Homo sapiens (Human))
BDBM50130248
PNG
(CHEMBL79004 | N-(6-Chloro-9H-beta-carbolin-8-yl)-n...)
Show SMILES Clc1cc(NC(=O)c2cccnc2)c2[nH]c3cnccc3c2c1
Show InChI InChI=1S/C17H11ClN4O/c18-11-6-13-12-3-5-20-9-15(12)21-16(13)14(7-11)22-17(23)10-2-1-4-19-8-10/h1-9,21H,(H,22,23)
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n/an/a 150n/an/an/an/an/an/a



Inha University

Curated by ChEMBL


Assay Description
Inhibition of IKK-beta by tome resolved fluorescence assay


Bioorg Med Chem Lett 20: 1075-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.033
BindingDB Entry DOI: 10.7270/Q2P84CVV
More data for this
Ligand-Target Pair
Inhibitor of NF-kappa-B kinase (IKK)


(Homo sapiens (Human))
BDBM50130248
PNG
(CHEMBL79004 | N-(6-Chloro-9H-beta-carbolin-8-yl)-n...)
Show SMILES Clc1cc(NC(=O)c2cccnc2)c2[nH]c3cnccc3c2c1
Show InChI InChI=1S/C17H11ClN4O/c18-11-6-13-12-3-5-20-9-15(12)21-16(13)14(7-11)22-17(23)10-2-1-4-19-8-10/h1-9,21H,(H,22,23)
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n/an/an/an/a 5.00E+3n/an/an/an/a



Millennium Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of GST-IkB phosphorylation by TNF-alpha stimulated HeLa cell lysate (IP-IKKgamma)


Bioorg Med Chem Lett 13: 2419-22 (2003)


BindingDB Entry DOI: 10.7270/Q2PK0FJ7
More data for this
Ligand-Target Pair
cAMP-dependent protein kinase (PKA)


(Homo sapiens (Human))
BDBM50130248
PNG
(CHEMBL79004 | N-(6-Chloro-9H-beta-carbolin-8-yl)-n...)
Show SMILES Clc1cc(NC(=O)c2cccnc2)c2[nH]c3cnccc3c2c1
Show InChI InChI=1S/C17H11ClN4O/c18-11-6-13-12-3-5-20-9-15(12)21-16(13)14(7-11)22-17(23)10-2-1-4-19-8-10/h1-9,21H,(H,22,23)
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n/an/a>2.50E+4n/an/an/an/an/an/a



Millennium Pharmaceuticals Inc.

Curated by ChEMBL




Bioorg Med Chem Lett 13: 2419-22 (2003)


BindingDB Entry DOI: 10.7270/Q2PK0FJ7
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-3


(Homo sapiens (Human))
BDBM50130248
PNG
(CHEMBL79004 | N-(6-Chloro-9H-beta-carbolin-8-yl)-n...)
Show SMILES Clc1cc(NC(=O)c2cccnc2)c2[nH]c3cnccc3c2c1
Show InChI InChI=1S/C17H11ClN4O/c18-11-6-13-12-3-5-20-9-15(12)21-16(13)14(7-11)22-17(23)10-2-1-4-19-8-10/h1-9,21H,(H,22,23)
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 880n/an/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Inhibition of PIM3 in the presence of 20uM ATP


Biochem J 408: 297-315 (2007)


Article DOI: 10.1042/BJ20070797
BindingDB Entry DOI: 10.7270/Q27082B4
More data for this
Ligand-Target Pair