BindingDB logo
myBDB logout

BDBM298393 4-[[4-[[4-[[5-tert-Butyl-3-(methanesulfonamido)-2-methoxy-phenyl]carbamoylamino]-1-naphthyl]oxy]-2-pyridyl]amino]-2-ethynyl-N-(2-morpholinoethyl)benzamide::US10125100, Example 15

SMILES: COc1c(NC(=O)Nc2ccc(Oc3ccnc(Nc4ccc(C(=O)NCCN5CCOCC5)c(c4)C#C)c3)c3ccccc23)cc(cc1NS(C)(=O)=O)C(C)(C)C

InChI Key: InChIKey=DQBWTIIAKDUFDY-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 298393   
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
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM298393
PNG
(4-[[4-[[4-[[5-tert-Butyl-3-(methanesulfonamido)-2-...)
Show SMILES COc1c(NC(=O)Nc2ccc(Oc3ccnc(Nc4ccc(C(=O)NCCN5CCOCC5)c(c4)C#C)c3)c3ccccc23)cc(cc1NS(C)(=O)=O)C(C)(C)C
Show InChI InChI=1S/C43H47N7O7S/c1-7-28-24-30(12-13-32(28)41(51)45-18-19-50-20-22-56-23-21-50)46-39-27-31(16-17-44-39)57-38-15-14-35(33-10-8-9-11-34(33)38)47-42(52)48-36-25-29(43(2,3)4)26-37(40(36)55-5)49-58(6,53)54/h1,8-17,24-27,49H,18-23H2,2-6H3,(H,44,46)(H,45,51)(H2,47,48,52)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 64n/an/an/an/an/an/a



Topivert Pharma Limited

US Patent


Assay Description
The inhibitory activities of test compounds against the p38 MAPKα isoform (MAPK14: Invitrogen) are evaluated indirectly by determining the level...


US Patent US10125100 (2018)

More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (human))
BDBM298393
PNG
(4-[[4-[[4-[[5-tert-Butyl-3-(methanesulfonamido)-2-...)
Show SMILES COc1c(NC(=O)Nc2ccc(Oc3ccnc(Nc4ccc(C(=O)NCCN5CCOCC5)c(c4)C#C)c3)c3ccccc23)cc(cc1NS(C)(=O)=O)C(C)(C)C
Show InChI InChI=1S/C43H47N7O7S/c1-7-28-24-30(12-13-32(28)41(51)45-18-19-50-20-22-56-23-21-50)46-39-27-31(16-17-44-39)57-38-15-14-35(33-10-8-9-11-34(33)38)47-42(52)48-36-25-29(43(2,3)4)26-37(40(36)55-5)49-58(6,53)54/h1,8-17,24-27,49H,18-23H2,2-6H3,(H,44,46)(H,45,51)(H2,47,48,52)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 2.79E+3n/an/an/an/an/an/a



Topivert Pharma Limited

US Patent


Assay Description
The inhibitory activities of compounds of the invention against the GSK 3α enzyme isoform (Invitrogen), are evaluated by determining the level o...


US Patent US10125100 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (human))
BDBM298393
PNG
(4-[[4-[[4-[[5-tert-Butyl-3-(methanesulfonamido)-2-...)
Show SMILES COc1c(NC(=O)Nc2ccc(Oc3ccnc(Nc4ccc(C(=O)NCCN5CCOCC5)c(c4)C#C)c3)c3ccccc23)cc(cc1NS(C)(=O)=O)C(C)(C)C
Show InChI InChI=1S/C43H47N7O7S/c1-7-28-24-30(12-13-32(28)41(51)45-18-19-50-20-22-56-23-21-50)46-39-27-31(16-17-44-39)57-38-15-14-35(33-10-8-9-11-34(33)38)47-42(52)48-36-25-29(43(2,3)4)26-37(40(36)55-5)49-58(6,53)54/h1,8-17,24-27,49H,18-23H2,2-6H3,(H,44,46)(H,45,51)(H2,47,48,52)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 163n/an/an/an/an/an/a



Topivert Pharma Limited

US Patent


Assay Description
The inhibitory activities of compounds of the invention against c-Src and Syk enzymes (Invitrogen), are evaluated in a similar fashion to that descri...


US Patent US10125100 (2018)

More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM298393
PNG
(4-[[4-[[4-[[5-tert-Butyl-3-(methanesulfonamido)-2-...)
Show SMILES COc1c(NC(=O)Nc2ccc(Oc3ccnc(Nc4ccc(C(=O)NCCN5CCOCC5)c(c4)C#C)c3)c3ccccc23)cc(cc1NS(C)(=O)=O)C(C)(C)C
Show InChI InChI=1S/C43H47N7O7S/c1-7-28-24-30(12-13-32(28)41(51)45-18-19-50-20-22-56-23-21-50)46-39-27-31(16-17-44-39)57-38-15-14-35(33-10-8-9-11-34(33)38)47-42(52)48-36-25-29(43(2,3)4)26-37(40(36)55-5)49-58(6,53)54/h1,8-17,24-27,49H,18-23H2,2-6H3,(H,44,46)(H,45,51)(H2,47,48,52)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 43n/an/an/an/an/an/a



Topivert Pharma Limited

US Patent


Assay Description
The inhibitory activities of compounds of the invention against c-Src and Syk enzymes (Invitrogen), are evaluated in a similar fashion to that descri...


US Patent US10125100 (2018)

More data for this
Ligand-Target Pair