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BDBM107000 US8592579, 104

SMILES: C[C@]1(CCCN1c1nc(Nc2cc(n[nH]2)C2CC2)c2cccn2n1)C(=O)Nc1ccc(F)nc1

InChI Key: InChIKey=LQVXSNNAFNGRAH-QWVACARCNA-N

Data: 1 IC50

PDB links: 1 PDB ID matches this monomer.

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 107000   
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))
BDBM107000
PNG
(US8592579, 104)
Show SMILES C[C@]1(CCCN1c1nc(Nc2cc(n[nH]2)C2CC2)c2cccn2n1)C(=O)Nc1ccc(F)nc1
Show InChI InChI=1/C23H24FN9O/c1-23(21(34)26-15-7-8-18(24)25-13-15)9-3-10-32(23)22-28-20(17-4-2-11-33(17)31-22)27-19-12-16(29-30-19)14-5-6-14/h2,4,7-8,11-14H,3,5-6,9-10H2,1H3,(H,26,34)(H2,27,28,29,30,31)/t23-/s2
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PC cid
PC sid
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Similars

PDB
US Patent
n/an/a 2n/an/an/an/a7.4n/a



Bristol-Myers Squibb Co.

US Patent


Assay Description
Kinase assay using IGF1-receptor.


US Patent US8592579 (2013)


BindingDB Entry DOI: 10.7270/Q2SQ8Z12
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)