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BDBM3689 4-[(3-Bromophenyl)amino]-6-[[3-(4-morpholino)propyl]amino]pyrimido[5,4-d]pyrimidine::4-anilinopyrimido[5,4-d]pyrimidine deriv. 5h::8-N-(3-bromophenyl)-2-N-[3-(morpholin-4-yl)propyl]-[1,3]diazino[5,4-d]pyrimidine-2,8-diamine

SMILES: Brc1cccc(Nc2ncnc3cnc(NCCCN4CCOCC4)nc23)c1

InChI Key: InChIKey=AKSMEOTWWFYYSQ-UHFFFAOYSA-N

Data: 2 IC50

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

Found 2 hits for monomerid = 3689   
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
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM3689
PNG
(4-[(3-Bromophenyl)amino]-6-[[3-(4-morpholino)propy...)
Show SMILES Brc1cccc(Nc2ncnc3cnc(NCCCN4CCOCC4)nc23)c1
Show InChI InChI=1S/C19H22BrN7O/c20-14-3-1-4-15(11-14)25-18-17-16(23-13-24-18)12-22-19(26-17)21-5-2-6-27-7-9-28-10-8-27/h1,3-4,11-13H,2,5-10H2,(H,21,22,26)(H,23,24,25)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3n/an/an/an/an/an/a



University of Zurich

Curated by ChEMBL


Assay Description
Inhibition of EGFR


J Med Chem 51: 1179-88 (2008)


Article DOI: 10.1021/jm070654j
BindingDB Entry DOI: 10.7270/Q29Z95RD
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM3689
PNG
(4-[(3-Bromophenyl)amino]-6-[[3-(4-morpholino)propy...)
Show SMILES Brc1cccc(Nc2ncnc3cnc(NCCCN4CCOCC4)nc23)c1
Show InChI InChI=1S/C19H22BrN7O/c20-14-3-1-4-15(11-14)25-18-17-16(23-13-24-18)12-22-19(26-17)21-5-2-6-27-7-9-28-10-8-27/h1,3-4,11-13H,2,5-10H2,(H,21,22,26)(H,23,24,25)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.90n/an/an/an/a7.422



University of Auckland



Assay Description
IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labe...


J Med Chem 40: 1820-6 (1997)


Article DOI: 10.1021/jm960879m
BindingDB Entry DOI: 10.7270/Q2J101C8
More data for this
Ligand-Target Pair