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BDBM200805 US9670231, 2.3

SMILES: CCN1CCN(Cc2ccc(cc2C(F)(F)F)C(=O)N[C@@H]2[C@H]3Oc4ccc(Oc5ccnc(c5)C(=O)NC)cc4[C@@H]23)CC1

InChI Key: InChIKey=UYFPHIJXUONCKX-KCHLEUMXSA-N

Data: 5 IC50

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 5 hits for monomerid = 200805   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
B-RAF V600E


(Homo sapiens (Human))
BDBM200805
PNG
(US9670231, 2.3)
Show SMILES CCN1CCN(Cc2ccc(cc2C(F)(F)F)C(=O)N[C@@H]2[C@H]3Oc4ccc(Oc5ccnc(c5)C(=O)NC)cc4[C@@H]23)CC1
Show InChI InChI=1S/C31H32F3N5O4/c1-3-38-10-12-39(13-11-38)17-19-5-4-18(14-23(19)31(32,33)34)29(40)37-27-26-22-15-20(6-7-25(22)43-28(26)27)42-21-8-9-36-24(16-21)30(41)35-2/h4-9,14-16,26-28H,3,10-13,17H2,1-2H3,(H,35,41)(H,37,40)/t26-,27-,28-/m0/s1
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 54n/an/an/an/an/an/a



BeiGene, Ltd

US Patent


Assay Description
TBD


US Patent US9670231 (2017)


BindingDB Entry DOI: 10.7270/Q2F18WWF
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM200805
PNG
(US9670231, 2.3)
Show SMILES CCN1CCN(Cc2ccc(cc2C(F)(F)F)C(=O)N[C@@H]2[C@H]3Oc4ccc(Oc5ccnc(c5)C(=O)NC)cc4[C@@H]23)CC1
Show InChI InChI=1S/C31H32F3N5O4/c1-3-38-10-12-39(13-11-38)17-19-5-4-18(14-23(19)31(32,33)34)29(40)37-27-26-22-15-20(6-7-25(22)43-28(26)27)42-21-8-9-36-24(16-21)30(41)35-2/h4-9,14-16,26-28H,3,10-13,17H2,1-2H3,(H,35,41)(H,37,40)/t26-,27-,28-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 12n/an/an/an/an/an/a



BeiGene, Ltd

US Patent


Assay Description
TBD


US Patent US9670231 (2017)


BindingDB Entry DOI: 10.7270/Q2F18WWF
More data for this
Ligand-Target Pair
Epidermal growth factor receptor(L858R, T790M)


(Homo sapiens (Human))
BDBM200805
PNG
(US9670231, 2.3)
Show SMILES CCN1CCN(Cc2ccc(cc2C(F)(F)F)C(=O)N[C@@H]2[C@H]3Oc4ccc(Oc5ccnc(c5)C(=O)NC)cc4[C@@H]23)CC1
Show InChI InChI=1S/C31H32F3N5O4/c1-3-38-10-12-39(13-11-38)17-19-5-4-18(14-23(19)31(32,33)34)29(40)37-27-26-22-15-20(6-7-25(22)43-28(26)27)42-21-8-9-36-24(16-21)30(41)35-2/h4-9,14-16,26-28H,3,10-13,17H2,1-2H3,(H,35,41)(H,37,40)/t26-,27-,28-/m0/s1
PDB
MMDB

KEGG

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 22n/an/an/an/an/an/a



BeiGene, Ltd

US Patent


Assay Description
TBD


US Patent US9670231 (2017)


BindingDB Entry DOI: 10.7270/Q2F18WWF
More data for this
Ligand-Target Pair
Epidermal growth factor receptor(L858R)


(Homo sapiens (Human))
BDBM200805
PNG
(US9670231, 2.3)
Show SMILES CCN1CCN(Cc2ccc(cc2C(F)(F)F)C(=O)N[C@@H]2[C@H]3Oc4ccc(Oc5ccnc(c5)C(=O)NC)cc4[C@@H]23)CC1
Show InChI InChI=1S/C31H32F3N5O4/c1-3-38-10-12-39(13-11-38)17-19-5-4-18(14-23(19)31(32,33)34)29(40)37-27-26-22-15-20(6-7-25(22)43-28(26)27)42-21-8-9-36-24(16-21)30(41)35-2/h4-9,14-16,26-28H,3,10-13,17H2,1-2H3,(H,35,41)(H,37,40)/t26-,27-,28-/m0/s1
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 4.70n/an/an/an/an/an/a



BeiGene, Ltd

US Patent


Assay Description
TBD


US Patent US9670231 (2017)


BindingDB Entry DOI: 10.7270/Q2F18WWF
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM200805
PNG
(US9670231, 2.3)
Show SMILES CCN1CCN(Cc2ccc(cc2C(F)(F)F)C(=O)N[C@@H]2[C@H]3Oc4ccc(Oc5ccnc(c5)C(=O)NC)cc4[C@@H]23)CC1
Show InChI InChI=1S/C31H32F3N5O4/c1-3-38-10-12-39(13-11-38)17-19-5-4-18(14-23(19)31(32,33)34)29(40)37-27-26-22-15-20(6-7-25(22)43-28(26)27)42-21-8-9-36-24(16-21)30(41)35-2/h4-9,14-16,26-28H,3,10-13,17H2,1-2H3,(H,35,41)(H,37,40)/t26-,27-,28-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 7.10n/an/an/an/an/an/a



BeiGene, Ltd

US Patent


Assay Description
TBD


US Patent US9670231 (2017)


BindingDB Entry DOI: 10.7270/Q2F18WWF
More data for this
Ligand-Target Pair