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BDBM50184453 CHEMBL3822619

SMILES: CCc1nn(cc1Nc1ncc(Cl)c(n1)-c1cnn2ccccc12)C1CCN(CC1)C(C)=O

InChI Key: InChIKey=GVBSYPNRBBBGNI-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50184453   
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
1,3-beta-glucan synthase component GLS2


(Saccharomyces cerevisiae)
BDBM50184453
PNG
(CHEMBL3822619)
Show SMILES CCc1nn(cc1Nc1ncc(Cl)c(n1)-c1cnn2ccccc12)C1CCN(CC1)C(C)=O
Show InChI InChI=1S/C23H25ClN8O/c1-3-19-20(14-32(29-19)16-7-10-30(11-8-16)15(2)33)27-23-25-13-18(24)22(28-23)17-12-26-31-9-5-4-6-21(17)31/h4-6,9,12-14,16H,3,7-8,10-11H2,1-2H3,(H,25,27,28)
KEGG

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PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 5.20E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human ERG expressed in CHOK1 cells after 6 mins by electrophysiology assay


J Med Chem 59: 4859-66 (2016)


BindingDB Entry DOI: 10.7270/Q2KS6TG9
More data for this
Ligand-Target Pair
Insulin-like growth factor I receptor


(Homo sapiens (Human))
BDBM50184453
PNG
(CHEMBL3822619)
Show SMILES CCc1nn(cc1Nc1ncc(Cl)c(n1)-c1cnn2ccccc12)C1CCN(CC1)C(C)=O
Show InChI InChI=1S/C23H25ClN8O/c1-3-19-20(14-32(29-19)16-7-10-30(11-8-16)15(2)33)27-23-25-13-18(24)22(28-23)17-12-26-31-9-5-4-6-21(17)31/h4-6,9,12-14,16H,3,7-8,10-11H2,1-2H3,(H,25,27,28)
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PC sid
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PubMed
n/an/a 49n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of IGF1-induced human IGF1R autophosphorylation expressed in IGF-1R knock-out mouse fibroblasts


J Med Chem 59: 4859-66 (2016)


BindingDB Entry DOI: 10.7270/Q2KS6TG9
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50184453
PNG
(CHEMBL3822619)
Show SMILES CCc1nn(cc1Nc1ncc(Cl)c(n1)-c1cnn2ccccc12)C1CCN(CC1)C(C)=O
Show InChI InChI=1S/C23H25ClN8O/c1-3-19-20(14-32(29-19)16-7-10-30(11-8-16)15(2)33)27-23-25-13-18(24)22(28-23)17-12-26-31-9-5-4-6-21(17)31/h4-6,9,12-14,16H,3,7-8,10-11H2,1-2H3,(H,25,27,28)
PDB
MMDB

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PC sid
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n/an/a 113n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of CDK2 (unknown origin)


J Med Chem 59: 4859-66 (2016)


BindingDB Entry DOI: 10.7270/Q2KS6TG9
More data for this
Ligand-Target Pair
Insulin-like growth factor I receptor


(Homo sapiens (Human))
BDBM50184453
PNG
(CHEMBL3822619)
Show SMILES CCc1nn(cc1Nc1ncc(Cl)c(n1)-c1cnn2ccccc12)C1CCN(CC1)C(C)=O
Show InChI InChI=1S/C23H25ClN8O/c1-3-19-20(14-32(29-19)16-7-10-30(11-8-16)15(2)33)27-23-25-13-18(24)22(28-23)17-12-26-31-9-5-4-6-21(17)31/h4-6,9,12-14,16H,3,7-8,10-11H2,1-2H3,(H,25,27,28)
PDB
MMDB

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KEGG

UniProtKB/SwissProt

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antibodypedia
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PC cid
PC sid
UniChem

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PubMed
n/an/a 31n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant human IGF-1R using fluorescent labeled FL-KKSRGDYMTMQIG-CONH2 as substrate after 1 hr 50 mins


J Med Chem 59: 4859-66 (2016)


BindingDB Entry DOI: 10.7270/Q2KS6TG9
More data for this
Ligand-Target Pair