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BDBM313754 US10167282, Compound TBAP-05

SMILES: CC(C)(C)c1cc(NC(=O)Nc2ccc(Oc3ccnc4[nH]c(=O)cnc34)cc2F)n(n1)-c1ccnc(O)c1

InChI Key: InChIKey=VUNDVBODCIFXGP-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 313754   
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))
BDBM313754
PNG
(US10167282, Compound TBAP-05)
Show SMILES CC(C)(C)c1cc(NC(=O)Nc2ccc(Oc3ccnc4[nH]c(=O)cnc34)cc2F)n(n1)-c1ccnc(O)c1
Show InChI InChI=1S/C26H23FN8O4/c1-26(2,3)19-12-20(35(34-19)14-6-8-28-21(36)10-14)32-25(38)31-17-5-4-15(11-16(17)27)39-18-7-9-29-24-23(18)30-13-22(37)33-24/h4-13H,1-3H3,(H,28,36)(H,29,33,37)(H2,31,32,38)
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 450n/an/an/an/an/an/a



CANCER RESEARCH TECHNOLOGY LIMITED; INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (THE)

US Patent


Assay Description
Mutant BRAF WM266.4 Cells.


US Patent US10167282 (2019)


BindingDB Entry DOI: 10.7270/Q2GQ70V2
More data for this
Ligand-Target Pair
B-Raf (V600E)


(Homo sapiens (Human))
BDBM313754
PNG
(US10167282, Compound TBAP-05)
Show SMILES CC(C)(C)c1cc(NC(=O)Nc2ccc(Oc3ccnc4[nH]c(=O)cnc34)cc2F)n(n1)-c1ccnc(O)c1
Show InChI InChI=1S/C26H23FN8O4/c1-26(2,3)19-12-20(35(34-19)14-6-8-28-21(36)10-14)32-25(38)31-17-5-4-15(11-16(17)27)39-18-7-9-29-24-23(18)30-13-22(37)33-24/h4-13H,1-3H3,(H,28,36)(H,29,33,37)(H2,31,32,38)
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 390n/an/an/an/an/an/a



CANCER RESEARCH TECHNOLOGY LIMITED; INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (THE)

US Patent


Assay Description
V600EBRAF was generated by infection of SF9 insect cells cultured in SF-900 II medium (Invitrogen, Paisley, Scotland) with a baculovirus containing f...


US Patent US10167282 (2019)


BindingDB Entry DOI: 10.7270/Q2GQ70V2
More data for this
Ligand-Target Pair