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BDBM50313558 (S)-4-(2-(3-chlorophenyl)-2-hydroxyethylamino)-3-(4-methyl-6-(4-methylpiperazin-1-yl)-1H-benzo[d]imidazol-2-yl)pyridin-2(1H)-one::CHEMBL1097358

SMILES: CN1CCN(CC1)c1cc(C)c2nc([nH]c2c1)-c1c(NC[C@@H](O)c2cccc(Cl)c2)cc[nH]c1=O

InChI Key: InChIKey=ABLYXLXBJMBVQN-JOCHJYFZSA-N

Data: 4 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50313558   
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))
BDBM50313558
PNG
((S)-4-(2-(3-chlorophenyl)-2-hydroxyethylamino)-3-(...)
Show SMILES CN1CCN(CC1)c1cc(C)c2nc([nH]c2c1)-c1c(NC[C@@H](O)c2cccc(Cl)c2)cc[nH]c1=O |r|
Show InChI InChI=1S/C26H29ClN6O2/c1-16-12-19(33-10-8-32(2)9-11-33)14-21-24(16)31-25(30-21)23-20(6-7-28-26(23)35)29-15-22(34)17-4-3-5-18(27)13-17/h3-7,12-14,22,34H,8-11,15H2,1-2H3,(H,30,31)(H2,28,29,35)/t22-/m1/s1
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Article
PubMed
n/an/a 18n/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant IGF-1R tyrosine kinase expressed in baculovirus system assessed as [33gamma]ATP phosphorylation of poly(Glu/Tyr) subs...


Bioorg Med Chem Lett 20: 1744-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.087
BindingDB Entry DOI: 10.7270/Q2MW2H95
More data for this
Ligand-Target Pair
Insulin-like growth factor I receptor


(Homo sapiens (Human))
BDBM50313558
PNG
((S)-4-(2-(3-chlorophenyl)-2-hydroxyethylamino)-3-(...)
Show SMILES CN1CCN(CC1)c1cc(C)c2nc([nH]c2c1)-c1c(NC[C@@H](O)c2cccc(Cl)c2)cc[nH]c1=O |r|
Show InChI InChI=1S/C26H29ClN6O2/c1-16-12-19(33-10-8-32(2)9-11-33)14-21-24(16)31-25(30-21)23-20(6-7-28-26(23)35)29-15-22(34)17-4-3-5-18(27)13-17/h3-7,12-14,22,34H,8-11,15H2,1-2H3,(H,30,31)(H2,28,29,35)/t22-/m1/s1
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Article
PubMed
n/an/a 18n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of IGF1R


Bioorg Med Chem Lett 20: 3182-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.057
BindingDB Entry DOI: 10.7270/Q2GX4BQB
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))
BDBM50313558
PNG
((S)-4-(2-(3-chlorophenyl)-2-hydroxyethylamino)-3-(...)
Show SMILES CN1CCN(CC1)c1cc(C)c2nc([nH]c2c1)-c1c(NC[C@@H](O)c2cccc(Cl)c2)cc[nH]c1=O |r|
Show InChI InChI=1S/C26H29ClN6O2/c1-16-12-19(33-10-8-32(2)9-11-33)14-21-24(16)31-25(30-21)23-20(6-7-28-26(23)35)29-15-22(34)17-4-3-5-18(27)13-17/h3-7,12-14,22,34H,8-11,15H2,1-2H3,(H,30,31)(H2,28,29,35)/t22-/m1/s1
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Article
PubMed
n/an/a 3.50E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 assessed as dealkylation of 7-benzyloxy-4-trifluoromethylcoumarin


Bioorg Med Chem Lett 20: 3182-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.057
BindingDB Entry DOI: 10.7270/Q2GX4BQB
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))
BDBM50313558
PNG
((S)-4-(2-(3-chlorophenyl)-2-hydroxyethylamino)-3-(...)
Show SMILES CN1CCN(CC1)c1cc(C)c2nc([nH]c2c1)-c1c(NC[C@@H](O)c2cccc(Cl)c2)cc[nH]c1=O |r|
Show InChI InChI=1S/C26H29ClN6O2/c1-16-12-19(33-10-8-32(2)9-11-33)14-21-24(16)31-25(30-21)23-20(6-7-28-26(23)35)29-15-22(34)17-4-3-5-18(27)13-17/h3-7,12-14,22,34H,8-11,15H2,1-2H3,(H,30,31)(H2,28,29,35)/t22-/m1/s1
PDB
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Reactome pathway
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UniProtKB/TrEMBL

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PC cid
PC sid
UniChem

Patents


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Article
PubMed
n/an/a 3.50E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 after 20 mins by BFC fluorescence assay


Bioorg Med Chem Lett 20: 1744-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.087
BindingDB Entry DOI: 10.7270/Q2MW2H95
More data for this
Ligand-Target Pair