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BDBM50184471 CHEMBL3822583

SMILES: CC(=O)N1CCC(CC1)n1ncc(Nc2ncc(Cl)c(n2)-c2cnc3ccccn23)c1C

InChI Key: InChIKey=ONDLPAJKNFWPJO-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 = 50184471   
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
Insulin-like growth factor I receptor


(Homo sapiens (Human))
BDBM50184471
PNG
(CHEMBL3822583)
Show SMILES CC(=O)N1CCC(CC1)n1ncc(Nc2ncc(Cl)c(n2)-c2cnc3ccccn23)c1C
Show InChI InChI=1S/C22H23ClN8O/c1-14-18(12-26-31(14)16-6-9-29(10-7-16)15(2)32)27-22-25-11-17(23)21(28-22)19-13-24-20-5-3-4-8-30(19)20/h3-5,8,11-13,16H,6-7,9-10H2,1-2H3,(H,25,27,28)
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PC cid
PC sid
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Article
PubMed
n/an/a 24n/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)


Article DOI: 10.1021/acs.jmedchem.6b00203
BindingDB Entry DOI: 10.7270/Q2KS6TG9
More data for this
Ligand-Target Pair
1,3-beta-glucan synthase component GLS2


(Saccharomyces cerevisiae)
BDBM50184471
PNG
(CHEMBL3822583)
Show SMILES CC(=O)N1CCC(CC1)n1ncc(Nc2ncc(Cl)c(n2)-c2cnc3ccccn23)c1C
Show InChI InChI=1S/C22H23ClN8O/c1-14-18(12-26-31(14)16-6-9-29(10-7-16)15(2)32)27-22-25-11-17(23)21(28-22)19-13-24-20-5-3-4-8-30(19)20/h3-5,8,11-13,16H,6-7,9-10H2,1-2H3,(H,25,27,28)
KEGG

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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 2.10E+4n/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)


Article DOI: 10.1021/acs.jmedchem.6b00203
BindingDB Entry DOI: 10.7270/Q2KS6TG9
More data for this
Ligand-Target Pair
Insulin-like growth factor I receptor


(Homo sapiens (Human))
BDBM50184471
PNG
(CHEMBL3822583)
Show SMILES CC(=O)N1CCC(CC1)n1ncc(Nc2ncc(Cl)c(n2)-c2cnc3ccccn23)c1C
Show InChI InChI=1S/C22H23ClN8O/c1-14-18(12-26-31(14)16-6-9-29(10-7-16)15(2)32)27-22-25-11-17(23)21(28-22)19-13-24-20-5-3-4-8-30(19)20/h3-5,8,11-13,16H,6-7,9-10H2,1-2H3,(H,25,27,28)
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PubMed
n/an/a 126n/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)


Article DOI: 10.1021/acs.jmedchem.6b00203
BindingDB Entry DOI: 10.7270/Q2KS6TG9
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50184471
PNG
(CHEMBL3822583)
Show SMILES CC(=O)N1CCC(CC1)n1ncc(Nc2ncc(Cl)c(n2)-c2cnc3ccccn23)c1C
Show InChI InChI=1S/C22H23ClN8O/c1-14-18(12-26-31(14)16-6-9-29(10-7-16)15(2)32)27-22-25-11-17(23)21(28-22)19-13-24-20-5-3-4-8-30(19)20/h3-5,8,11-13,16H,6-7,9-10H2,1-2H3,(H,25,27,28)
PDB
MMDB

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Reactome pathway
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UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 232n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of CDK2 (unknown origin)


J Med Chem 59: 4859-66 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00203
BindingDB Entry DOI: 10.7270/Q2KS6TG9
More data for this
Ligand-Target Pair