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BDBM200497 US9670231, 1.25

SMILES: CC(C)(N)c1cc(cc(c1)C(F)(F)F)C(=O)N[C@@H]1[C@H]2Oc3ccc(Oc4ccnc5NC(=O)CCc45)cc3[C@@H]12

InChI Key: InChIKey=CLJJOJZHQFORCB-HJOGWXRNSA-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 = 200497   
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
B-RAF V600E


(Homo sapiens (Human))
BDBM200497
PNG
(US9670231, 1.25)
Show SMILES CC(C)(N)c1cc(cc(c1)C(F)(F)F)C(=O)N[C@@H]1[C@H]2Oc3ccc(Oc4ccnc5NC(=O)CCc45)cc3[C@@H]12 |r|
Show InChI InChI=1S/C28H25F3N4O4/c1-27(2,32)14-9-13(10-15(11-14)28(29,30)31)26(37)35-23-22-18-12-16(3-5-19(18)39-24(22)23)38-20-7-8-33-25-17(20)4-6-21(36)34-25/h3,5,7-12,22-24H,4,6,32H2,1-2H3,(H,35,37)(H,33,34,36)/t22-,23-,24-/m0/s1
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.710n/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))
BDBM200497
PNG
(US9670231, 1.25)
Show SMILES CC(C)(N)c1cc(cc(c1)C(F)(F)F)C(=O)N[C@@H]1[C@H]2Oc3ccc(Oc4ccnc5NC(=O)CCc45)cc3[C@@H]12 |r|
Show InChI InChI=1S/C28H25F3N4O4/c1-27(2,32)14-9-13(10-15(11-14)28(29,30)31)26(37)35-23-22-18-12-16(3-5-19(18)39-24(22)23)38-20-7-8-33-25-17(20)4-6-21(36)34-25/h3,5,7-12,22-24H,4,6,32H2,1-2H3,(H,35,37)(H,33,34,36)/t22-,23-,24-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.25n/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))
BDBM200497
PNG
(US9670231, 1.25)
Show SMILES CC(C)(N)c1cc(cc(c1)C(F)(F)F)C(=O)N[C@@H]1[C@H]2Oc3ccc(Oc4ccnc5NC(=O)CCc45)cc3[C@@H]12 |r|
Show InChI InChI=1S/C28H25F3N4O4/c1-27(2,32)14-9-13(10-15(11-14)28(29,30)31)26(37)35-23-22-18-12-16(3-5-19(18)39-24(22)23)38-20-7-8-33-25-17(20)4-6-21(36)34-25/h3,5,7-12,22-24H,4,6,32H2,1-2H3,(H,35,37)(H,33,34,36)/t22-,23-,24-/m0/s1
PDB
MMDB

KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.20n/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))
BDBM200497
PNG
(US9670231, 1.25)
Show SMILES CC(C)(N)c1cc(cc(c1)C(F)(F)F)C(=O)N[C@@H]1[C@H]2Oc3ccc(Oc4ccnc5NC(=O)CCc45)cc3[C@@H]12 |r|
Show InChI InChI=1S/C28H25F3N4O4/c1-27(2,32)14-9-13(10-15(11-14)28(29,30)31)26(37)35-23-22-18-12-16(3-5-19(18)39-24(22)23)38-20-7-8-33-25-17(20)4-6-21(36)34-25/h3,5,7-12,22-24H,4,6,32H2,1-2H3,(H,35,37)(H,33,34,36)/t22-,23-,24-/m0/s1
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.150n/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))
BDBM200497
PNG
(US9670231, 1.25)
Show SMILES CC(C)(N)c1cc(cc(c1)C(F)(F)F)C(=O)N[C@@H]1[C@H]2Oc3ccc(Oc4ccnc5NC(=O)CCc45)cc3[C@@H]12 |r|
Show InChI InChI=1S/C28H25F3N4O4/c1-27(2,32)14-9-13(10-15(11-14)28(29,30)31)26(37)35-23-22-18-12-16(3-5-19(18)39-24(22)23)38-20-7-8-33-25-17(20)4-6-21(36)34-25/h3,5,7-12,22-24H,4,6,32H2,1-2H3,(H,35,37)(H,33,34,36)/t22-,23-,24-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.480n/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