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BDBM98199 US8481733, 10

SMILES: Nc1nccn2c(nc(-c3ccc(Oc4ccccc4)cc3)c12)[C@@H]1C[C@H](O)C1

InChI Key: InChIKey=SAFIVUCEBPHLEO-IYBDPMFKSA-N

Data: 1 IC50

PDB links: 1 PDB ID matches this monomer.

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 1 hit for monomerid = 98199   
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
Tyrosine kinase non-receptor protein 2


(Homo sapiens (Human))
BDBM98199
PNG
(US8481733, 10)
Show SMILES Nc1nccn2c(nc(-c3ccc(Oc4ccccc4)cc3)c12)[C@@H]1C[C@H](O)C1
Show InChI InChI=1S/C22H20N4O2/c23-21-20-19(25-22(15-12-16(27)13-15)26(20)11-10-24-21)14-6-8-18(9-7-14)28-17-4-2-1-3-5-17/h1-11,15-16,27H,12-13H2,(H2,23,24)/t15-,16+
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
MMDB
PC cid
PC sid
PDB
UniChem

Similars

PDB
n/an/a 153n/an/an/an/an/an/a



OSI Pharmaceuticals, LLC

US Patent


Assay Description
AlphaScreen (amplified luminescent proximity homogeneous assay) assay was used to test for ACK1 inhibitory activity.


US Patent US8481733 (2013)


BindingDB Entry DOI: 10.7270/Q2XD109J
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)