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BDBM50273344 CHEMBL4128888

SMILES: Nc1cccnc1N1CCC(CC1)C(=O)Nc1cnc(c(Cl)c1)-n1nccn1

InChI Key: InChIKey=XRLOYXFJBUUMBI-UHFFFAOYSA-N

Data: 3 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 4 hits for monomerid = 50273344   
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
MALT lymphoma-associated translocation (MALT1)


(Homo sapiens (Human))
BDBM50273344
PNG
(CHEMBL4128888)
Show SMILES Nc1cccnc1N1CCC(CC1)C(=O)Nc1cnc(c(Cl)c1)-n1nccn1
Show InChI InChI=1S/C18H19ClN8O/c19-14-10-13(11-22-16(14)27-23-6-7-24-27)25-18(28)12-3-8-26(9-4-12)17-15(20)2-1-5-21-17/h1-2,5-7,10-12H,3-4,8-9,20H2,(H,25,28)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 560n/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of MALT1 in human OCI-LY3 cells assessed a decrease in BCL10 cleavage after 24 hrs by ELISA


Bioorg Med Chem Lett 28: 2153-2158 (2018)


Article DOI: 10.1016/j.bmcl.2018.05.017
BindingDB Entry DOI: 10.7270/Q2G73H89
More data for this
Ligand-Target Pair
MALT lymphoma-associated translocation (MALT1)


(Homo sapiens (Human))
BDBM50273344
PNG
(CHEMBL4128888)
Show SMILES Nc1cccnc1N1CCC(CC1)C(=O)Nc1cnc(c(Cl)c1)-n1nccn1
Show InChI InChI=1S/C18H19ClN8O/c19-14-10-13(11-22-16(14)27-23-6-7-24-27)25-18(28)12-3-8-26(9-4-12)17-15(20)2-1-5-21-17/h1-2,5-7,10-12H,3-4,8-9,20H2,(H,25,28)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 80n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of MALT1 in PMA-stimulated human Jurkat T cells assessed as reduction in IL2 level pretreated for 30 mins followed by PMA-stimulation meas...


Bioorg Med Chem Lett 28: 2153-2158 (2018)


Article DOI: 10.1016/j.bmcl.2018.05.017
BindingDB Entry DOI: 10.7270/Q2G73H89
More data for this
Ligand-Target Pair
MALT lymphoma-associated translocation (MALT1)


(Homo sapiens (Human))
BDBM50273344
PNG
(CHEMBL4128888)
Show SMILES Nc1cccnc1N1CCC(CC1)C(=O)Nc1cnc(c(Cl)c1)-n1nccn1
Show InChI InChI=1S/C18H19ClN8O/c19-14-10-13(11-22-16(14)27-23-6-7-24-27)25-18(28)12-3-8-26(9-4-12)17-15(20)2-1-5-21-17/h1-2,5-7,10-12H,3-4,8-9,20H2,(H,25,28)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 90n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of cIAP2 fused MALT1 (unknown origin) expressed in HEK293 cells assessed as suppression of NF-kB activation after 24 hrs by luciferase rep...


Bioorg Med Chem Lett 28: 2153-2158 (2018)


Article DOI: 10.1016/j.bmcl.2018.05.017
BindingDB Entry DOI: 10.7270/Q2G73H89
More data for this
Ligand-Target Pair
MALT lymphoma-associated translocation (MALT1)


(Homo sapiens (Human))
BDBM50273344
PNG
(CHEMBL4128888)
Show SMILES Nc1cccnc1N1CCC(CC1)C(=O)Nc1cnc(c(Cl)c1)-n1nccn1
Show InChI InChI=1S/C18H19ClN8O/c19-14-10-13(11-22-16(14)27-23-6-7-24-27)25-18(28)12-3-8-26(9-4-12)17-15(20)2-1-5-21-17/h1-2,5-7,10-12H,3-4,8-9,20H2,(H,25,28)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 7n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of MALT1 (unknown origin) using Ac-Trp-Leu-Arg-Ser-Arg'Cys(PT14)-NH2 as substrate preincubated for 60 mins followed by substrate addition ...


Bioorg Med Chem Lett 28: 2153-2158 (2018)


Article DOI: 10.1016/j.bmcl.2018.05.017
BindingDB Entry DOI: 10.7270/Q2G73H89
More data for this
Ligand-Target Pair