BindingDB logo
myBDB logout

null

SMILES: COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(c4OC)S(C)=O)C(C)(C)C)c4ccccc34)ccn2)cc(c1)C(=O)NCCN1CCS(=O)CC1

InChI Key: InChIKey=PDRRMIHGJSJJLS-UHFFFAOYSA-N

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 = 381150   
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))
BDBM381150
PNG
(3-((4-((4-(3-(5-(tert-Butyl)-2-methoxy-3-(methylsu...)
Show SMILES COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(c4OC)S(C)=O)C(C)(C)C)c4ccccc34)ccn2)cc(c1)C(=O)NCCN1CCS(=O)CC1
Show InChI InChI=1S/C42H48N6O7S2/c1-42(2,3)28-23-35(39(54-5)37(24-28)56(6)51)47-41(50)46-34-11-12-36(33-10-8-7-9-32(33)34)55-30-13-14-43-38(26-30)45-29-21-27(22-31(25-29)53-4)40(49)44-15-16-48-17-19-57(52)20-18-48/h7-14,21-26H,15-20H2,1-6H3,(H,43,45)(H,44,49)(H2,46,47,50)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 16n/an/an/an/an/an/a



Cephalon



Assay Description
Method 1: The inhibitory activities of test compounds against the p38 MAPKα isoform (MAPK14: Invitrogen), are evaluated indirectly by determinin...


J Med Chem 51: 5680-9 (2008)


BindingDB Entry DOI: 10.7270/Q2FB558N
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 alpha


(Homo sapiens (Human))
BDBM381150
PNG
(3-((4-((4-(3-(5-(tert-Butyl)-2-methoxy-3-(methylsu...)
Show SMILES COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(c4OC)S(C)=O)C(C)(C)C)c4ccccc34)ccn2)cc(c1)C(=O)NCCN1CCS(=O)CC1
Show InChI InChI=1S/C42H48N6O7S2/c1-42(2,3)28-23-35(39(54-5)37(24-28)56(6)51)47-41(50)46-34-11-12-36(33-10-8-7-9-32(33)34)55-30-13-14-43-38(26-30)45-29-21-27(22-31(25-29)53-4)40(49)44-15-16-48-17-19-57(52)20-18-48/h7-14,21-26H,15-20H2,1-6H3,(H,43,45)(H,44,49)(H2,46,47,50)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.97E+3n/an/an/an/an/an/a



Cephalon



Assay Description
Method 1: The inhibitory activities of compounds of the invention against the GSK 3α enzyme isoform (Invitrogen), are evaluated by determining ...


J Med Chem 51: 5680-9 (2008)


BindingDB Entry DOI: 10.7270/Q2FB558N
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM381150
PNG
(3-((4-((4-(3-(5-(tert-Butyl)-2-methoxy-3-(methylsu...)
Show SMILES COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(c4OC)S(C)=O)C(C)(C)C)c4ccccc34)ccn2)cc(c1)C(=O)NCCN1CCS(=O)CC1
Show InChI InChI=1S/C42H48N6O7S2/c1-42(2,3)28-23-35(39(54-5)37(24-28)56(6)51)47-41(50)46-34-11-12-36(33-10-8-7-9-32(33)34)55-30-13-14-43-38(26-30)45-29-21-27(22-31(25-29)53-4)40(49)44-15-16-48-17-19-57(52)20-18-48/h7-14,21-26H,15-20H2,1-6H3,(H,43,45)(H,44,49)(H2,46,47,50)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 124n/an/an/an/an/an/a



Cephalon



Assay Description
Method 2: The inhibitory activities of compounds of the invention against p38MAPKγ (MAPK12: Invitrogen), are evaluated in a similar fashion to t...


J Med Chem 51: 5680-9 (2008)


BindingDB Entry DOI: 10.7270/Q2FB558N
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM381150
PNG
(3-((4-((4-(3-(5-(tert-Butyl)-2-methoxy-3-(methylsu...)
Show SMILES COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(c4OC)S(C)=O)C(C)(C)C)c4ccccc34)ccn2)cc(c1)C(=O)NCCN1CCS(=O)CC1
Show InChI InChI=1S/C42H48N6O7S2/c1-42(2,3)28-23-35(39(54-5)37(24-28)56(6)51)47-41(50)46-34-11-12-36(33-10-8-7-9-32(33)34)55-30-13-14-43-38(26-30)45-29-21-27(22-31(25-29)53-4)40(49)44-15-16-48-17-19-57(52)20-18-48/h7-14,21-26H,15-20H2,1-6H3,(H,43,45)(H,44,49)(H2,46,47,50)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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



Cephalon



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...


J Med Chem 51: 5680-9 (2008)


BindingDB Entry DOI: 10.7270/Q2FB558N
More data for this
Ligand-Target Pair