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BDBM81470 CAS_14677::Methdilazine::NSC_14677::US9504692, 3943

SMILES: CN1CCC(CN2c3ccccc3Sc3ccccc23)C1

InChI Key: InChIKey=HTMIBDQKFHUPSX-UHFFFAOYSA-N

Data: 1 KI  1 IC50

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 = 81470   
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
Histamine H1 receptor


(RAT)
BDBM81470
PNG
(CAS_14677 | Methdilazine | NSC_14677 | US9504692, ...)
Show SMILES CN1CCC(CN2c3ccccc3Sc3ccccc23)C1
Show InChI InChI=1S/C18H20N2S/c1-19-11-10-14(12-19)13-20-15-6-2-4-8-17(15)21-18-9-5-3-7-16(18)20/h2-9,14H,10-13H2,1H3
KEGG

UniProtKB/SwissProt

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KEGG
PC cid
PC sid
UniChem

Patents


Similars

PubMed
2.30n/an/an/an/an/an/an/an/a



TBA

Curated by PDSP Ki Database




Proc Natl Acad Sci U S A 75: 6290-4 (1978)

More data for this
Ligand-Target Pair
GST-MALT lymphoma-associated translocation (MALT1)


(Homo sapiens (Human))
BDBM81470
PNG
(CAS_14677 | Methdilazine | NSC_14677 | US9504692, ...)
Show SMILES CN1CCC(CN2c3ccccc3Sc3ccccc23)C1
Show InChI InChI=1S/C18H20N2S/c1-19-11-10-14(12-19)13-20-15-6-2-4-8-17(15)21-18-9-5-3-7-16(18)20/h2-9,14H,10-13H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
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DrugBank
KEGG
PC cid
PC sid
UniChem

Patents


Similars

US Patent
n/an/a 6.25E+3n/an/an/an/an/an/a



HELMHOLTZ ZENTRUM MUNCHEN, DEUTSCHES FORSCHUNGSZENTRUM FUR GESUNDHEIT UND UMWELT (GMBH)

US Patent


Assay Description
To screen for small molecular weight compounds that can inhibit MALT1 protease activity, recombinant GSTMALT1 was purified from E. coli to establish ...


US Patent US9504692 (2016)

More data for this
Ligand-Target Pair