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BDBM50389156 CHEMBL2064722

SMILES: COc1c(Nc2ncc(Cl)c(N[C@@H]3[C@@H]4C[C@@H](C=C4)[C@@H]3C(N)=O)n2)ccc2CCC(CCc12)N1CCN(C)CC1

InChI Key: InChIKey=HZNGMZVVNFDRTL-MWJXMWDENA-N

Data: 4 IC50

Find this compound or compounds like it in BindingDB or PDB:
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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50389156   
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
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50389156
PNG
(CHEMBL2064722)
Show SMILES COc1c(Nc2ncc(Cl)c(N[C@@H]3[C@@H]4C[C@@H](C=C4)[C@@H]3C(N)=O)n2)ccc2CCC(CCc12)N1CCN(C)CC1
Show InChI InChI=1/C29H38ClN7O2/c1-36-11-13-37(14-12-36)20-7-5-17-6-10-23(26(39-2)21(17)9-8-20)33-29-32-16-22(30)28(35-29)34-25-19-4-3-18(15-19)24(25)27(31)38/h3-4,6,10,16,18-20,24-25H,5,7-9,11-15H2,1-2H3,(H2,31,38)(H2,32,33,34,35)/t18-,19+,20?,24+,25-/s2
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 20n/an/an/an/an/an/a



Cephalon Inc

Curated by ChEMBL


Assay Description
Inhibition of ALK tyrosine phosphorylation in human Karpas-299 cells after 2 hrs in presence of mouse plasma


J Med Chem 55: 4580-93 (2012)


Article DOI: 10.1021/jm201550q
BindingDB Entry DOI: 10.7270/Q23F4QQN
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50389156
PNG
(CHEMBL2064722)
Show SMILES COc1c(Nc2ncc(Cl)c(N[C@@H]3[C@@H]4C[C@@H](C=C4)[C@@H]3C(N)=O)n2)ccc2CCC(CCc12)N1CCN(C)CC1
Show InChI InChI=1/C29H38ClN7O2/c1-36-11-13-37(14-12-36)20-7-5-17-6-10-23(26(39-2)21(17)9-8-20)33-29-32-16-22(30)28(35-29)34-25-19-4-3-18(15-19)24(25)27(31)38/h3-4,6,10,16,18-20,24-25H,5,7-9,11-15H2,1-2H3,(H2,31,38)(H2,32,33,34,35)/t18-,19+,20?,24+,25-/s2
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 16.2n/an/an/an/an/an/a



Cephalon Inc

Curated by ChEMBL


Assay Description
Inhibition of human ALK cytoplasmic domain expressed in baculovirus using GST-PLCgamma as substrate preincubated for 15 mins before substrate additio...


J Med Chem 55: 4580-93 (2012)


Article DOI: 10.1021/jm201550q
BindingDB Entry DOI: 10.7270/Q23F4QQN
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50389156
PNG
(CHEMBL2064722)
Show SMILES COc1c(Nc2ncc(Cl)c(N[C@@H]3[C@@H]4C[C@@H](C=C4)[C@@H]3C(N)=O)n2)ccc2CCC(CCc12)N1CCN(C)CC1
Show InChI InChI=1/C29H38ClN7O2/c1-36-11-13-37(14-12-36)20-7-5-17-6-10-23(26(39-2)21(17)9-8-20)33-29-32-16-22(30)28(35-29)34-25-19-4-3-18(15-19)24(25)27(31)38/h3-4,6,10,16,18-20,24-25H,5,7-9,11-15H2,1-2H3,(H2,31,38)(H2,32,33,34,35)/t18-,19+,20?,24+,25-/s2
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.10n/an/an/an/an/an/a



Cephalon Inc

Curated by ChEMBL


Assay Description
Inhibition of human ALK cytoplasmic domain expressed in baculovirus using GST-PLCgamma as substrate preincubated for 15 mins before substrate additio...


J Med Chem 55: 4580-93 (2012)


Article DOI: 10.1021/jm201550q
BindingDB Entry DOI: 10.7270/Q23F4QQN
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))
BDBM50389156
PNG
(CHEMBL2064722)
Show SMILES COc1c(Nc2ncc(Cl)c(N[C@@H]3[C@@H]4C[C@@H](C=C4)[C@@H]3C(N)=O)n2)ccc2CCC(CCc12)N1CCN(C)CC1
Show InChI InChI=1/C29H38ClN7O2/c1-36-11-13-37(14-12-36)20-7-5-17-6-10-23(26(39-2)21(17)9-8-20)33-29-32-16-22(30)28(35-29)34-25-19-4-3-18(15-19)24(25)27(31)38/h3-4,6,10,16,18-20,24-25H,5,7-9,11-15H2,1-2H3,(H2,31,38)(H2,32,33,34,35)/t18-,19+,20?,24+,25-/s2
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 200n/an/an/an/an/an/a



Cephalon Inc

Curated by ChEMBL


Assay Description
Inhibition of ALK tyrosine phosphorylation in human Karpas-299 cells after 2 hrs in presence of mouse plasma


J Med Chem 55: 4580-93 (2012)


Article DOI: 10.1021/jm201550q
BindingDB Entry DOI: 10.7270/Q23F4QQN
More data for this
Ligand-Target Pair