BindingDB logo
myBDB logout

107 similar compounds to monomer 11639

Compile data set for download or QSAR
Wt: 366.3
BDBM50001746
Wt: 474.2
BDBM123416
Wt: 488.3
BDBM123417
Wt: 436.4
BDBM123418
Wt: 450.4
BDBM123419
Wt: 423.4
BDBM123420
Wt: 423.4
BDBM123421
Wt: 417.4
BDBM123422
Wt: 443.4
BDBM123423
Wt: 477.8
BDBM123424
Wt: 512.3
BDBM123425
Wt: 512.3
BDBM123426
Wt: 546.7
BDBM123427
Wt: 457.4
BDBM123428
Wt: 511.4
BDBM123429
Displayed 1 to 15 (of 107 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 16 hits for monomerid = 50001746,123416,123417,123418,123419,123420,123421,123422,123423,123424,123425,123426,123427,123428,123429   
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
3-phosphoinositide dependent protein kinase-1


(Homo sapiens (human))
BDBM123416
PNG
(US8741944, 37)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1ccc(CCBr)cc1)C(F)(F)F
Show InChI InChI=1S/C18H15BrF3N3O2S/c19-10-9-12-1-3-13(4-2-12)16-11-17(18(20,21)22)24-25(16)14-5-7-15(8-6-14)28(23,26)27/h1-8,11H,9-10H2,(H2,23,26,27)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 4.20E+4n/an/an/an/an/an/a



The Ohio State University Research Foundation

US Patent


Assay Description
PDK-1 kinase activity This in vitro assay was performed using a PDK-1 kinase assay kit (Upstate, Lake Placid, N.Y.) according to the vendor's ins...


US Patent US8741944 (2014)


BindingDB Entry DOI: 10.7270/Q2TB15M1
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM50001746
PNG
(CHEMBL3238414)
Show SMILES CS(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1ccccc1)C(F)(F)F
Show InChI InChI=1S/C17H13F3N2O2S/c1-25(23,24)14-9-7-13(8-10-14)22-15(12-5-3-2-4-6-12)11-16(21-22)17(18,19)20/h2-11H,1H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 6.84E+3n/an/an/an/an/an/a



Keio University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant COX-2 by enzyme immunoassay


Bioorg Med Chem 22: 2529-34 (2014)


Article DOI: 10.1016/j.bmc.2014.02.032
BindingDB Entry DOI: 10.7270/Q2K35W5T
More data for this
Ligand-Target Pair
3-phosphoinositide dependent protein kinase-1


(Homo sapiens (human))
BDBM123418
PNG
(US8741944, 39)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1ccc(CCN=[N+]=[N-])cc1)C(F)(F)F
Show InChI InChI=1S/C18H15F3N6O2S/c19-18(20,21)17-11-16(13-3-1-12(2-4-13)9-10-24-26-22)27(25-17)14-5-7-15(8-6-14)30(23,28)29/h1-8,11H,9-10H2,(H2,23,28,29)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 3.20E+4n/an/an/an/an/an/a



The Ohio State University Research Foundation

US Patent


Assay Description
PDK-1 kinase activity This in vitro assay was performed using a PDK-1 kinase assay kit (Upstate, Lake Placid, N.Y.) according to the vendor's ins...


US Patent US8741944 (2014)


BindingDB Entry DOI: 10.7270/Q2TB15M1
More data for this
Ligand-Target Pair
3-phosphoinositide dependent protein kinase-1


(Homo sapiens (human))
BDBM123419
PNG
(US8741944, 40)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1ccc(CCCN=[N+]=[N-])cc1)C(F)(F)F
Show InChI InChI=1S/C19H17F3N6O2S/c20-19(21,22)18-12-17(14-5-3-13(4-6-14)2-1-11-25-27-23)28(26-18)15-7-9-16(10-8-15)31(24,29)30/h3-10,12H,1-2,11H2,(H2,24,29,30)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 3.40E+4n/an/an/an/an/an/a



The Ohio State University Research Foundation

US Patent


Assay Description
PDK-1 kinase activity This in vitro assay was performed using a PDK-1 kinase assay kit (Upstate, Lake Placid, N.Y.) according to the vendor's ins...


US Patent US8741944 (2014)


BindingDB Entry DOI: 10.7270/Q2TB15M1
More data for this
Ligand-Target Pair
3-phosphoinositide dependent protein kinase-1


(Homo sapiens (human))
BDBM123420
PNG
(US8741944, 41)
Show SMILES CCCCc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C20H20F3N3O2S/c1-2-3-4-14-5-7-15(8-6-14)18-13-19(20(21,22)23)25-26(18)16-9-11-17(12-10-16)29(24,27)28/h5-13H,2-4H2,1H3,(H2,24,27,28)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 2.00E+4n/an/an/an/an/an/a



The Ohio State University Research Foundation

US Patent


Assay Description
PDK-1 kinase activity This in vitro assay was performed using a PDK-1 kinase assay kit (Upstate, Lake Placid, N.Y.) according to the vendor's ins...


US Patent US8741944 (2014)


BindingDB Entry DOI: 10.7270/Q2TB15M1
More data for this
Ligand-Target Pair
3-phosphoinositide dependent protein kinase-1


(Homo sapiens (human))
BDBM123421
PNG
(US8741944, 42)
Show SMILES CC(C)(C)c1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C20H20F3N3O2S/c1-19(2,3)14-6-4-13(5-7-14)17-12-18(20(21,22)23)25-26(17)15-8-10-16(11-9-15)29(24,27)28/h4-12H,1-3H3,(H2,24,27,28)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 3.40E+4n/an/an/an/an/an/a



The Ohio State University Research Foundation

US Patent


Assay Description
PDK-1 kinase activity This in vitro assay was performed using a PDK-1 kinase assay kit (Upstate, Lake Placid, N.Y.) according to the vendor's ins...


US Patent US8741944 (2014)


BindingDB Entry DOI: 10.7270/Q2TB15M1
More data for this
Ligand-Target Pair
3-phosphoinositide dependent protein kinase-1


(Homo sapiens (human))
BDBM123422
PNG
(US8741944, 43)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1ccc2ccccc2c1)C(F)(F)F
Show InChI InChI=1S/C20H14F3N3O2S/c21-20(22,23)19-12-18(15-6-5-13-3-1-2-4-14(13)11-15)26(25-19)16-7-9-17(10-8-16)29(24,27)28/h1-12H,(H2,24,27,28)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 2.40E+4n/an/an/an/an/an/a



The Ohio State University Research Foundation

US Patent


Assay Description
PDK-1 kinase activity This in vitro assay was performed using a PDK-1 kinase assay kit (Upstate, Lake Placid, N.Y.) according to the vendor's ins...


US Patent US8741944 (2014)


BindingDB Entry DOI: 10.7270/Q2TB15M1
More data for this
Ligand-Target Pair
3-phosphoinositide dependent protein kinase-1


(Homo sapiens (human))
BDBM123423
PNG
(US8741944, 45)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1ccc(cc1)-c1ccccc1)C(F)(F)F
Show InChI InChI=1S/C22H16F3N3O2S/c23-22(24,25)21-14-20(17-8-6-16(7-9-17)15-4-2-1-3-5-15)28(27-21)18-10-12-19(13-11-18)31(26,29)30/h1-14H,(H2,26,29,30)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 2.10E+4n/an/an/an/an/an/a



The Ohio State University Research Foundation

US Patent


Assay Description
PDK-1 kinase activity This in vitro assay was performed using a PDK-1 kinase assay kit (Upstate, Lake Placid, N.Y.) according to the vendor's ins...


US Patent US8741944 (2014)


BindingDB Entry DOI: 10.7270/Q2TB15M1
More data for this
Ligand-Target Pair
3-phosphoinositide dependent protein kinase-1


(Homo sapiens (human))
BDBM123424
PNG
(US8741944, 46)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1ccc(cc1)-c1ccc(Cl)cc1)C(F)(F)F
Show InChI InChI=1S/C22H15ClF3N3O2S/c23-17-7-5-15(6-8-17)14-1-3-16(4-2-14)20-13-21(22(24,25)26)28-29(20)18-9-11-19(12-10-18)32(27,30)31/h1-13H,(H2,27,30,31)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 2.20E+4n/an/an/an/an/an/a



The Ohio State University Research Foundation

US Patent


Assay Description
PDK-1 kinase activity This in vitro assay was performed using a PDK-1 kinase assay kit (Upstate, Lake Placid, N.Y.) according to the vendor's ins...


US Patent US8741944 (2014)


BindingDB Entry DOI: 10.7270/Q2TB15M1
More data for this
Ligand-Target Pair
3-phosphoinositide dependent protein kinase-1


(Homo sapiens (human))
BDBM123425
PNG
(US8741944, 47)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1ccc(cc1)-c1cc(Cl)cc(Cl)c1)C(F)(F)F
Show InChI InChI=1S/C22H14Cl2F3N3O2S/c23-16-9-15(10-17(24)11-16)13-1-3-14(4-2-13)20-12-21(22(25,26)27)29-30(20)18-5-7-19(8-6-18)33(28,31)32/h1-12H,(H2,28,31,32)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 1.80E+4n/an/an/an/an/an/a



The Ohio State University Research Foundation

US Patent


Assay Description
PDK-1 kinase activity This in vitro assay was performed using a PDK-1 kinase assay kit (Upstate, Lake Placid, N.Y.) according to the vendor's ins...


US Patent US8741944 (2014)


BindingDB Entry DOI: 10.7270/Q2TB15M1
More data for this
Ligand-Target Pair
3-phosphoinositide dependent protein kinase-1


(Homo sapiens (human))
BDBM123426
PNG
(US8741944, 48)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1ccc(cc1)-c1cccc(Cl)c1Cl)C(F)(F)F
Show InChI InChI=1S/C22H14Cl2F3N3O2S/c23-18-3-1-2-17(21(18)24)13-4-6-14(7-5-13)19-12-20(22(25,26)27)29-30(19)15-8-10-16(11-9-15)33(28,31)32/h1-12H,(H2,28,31,32)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 2.30E+4n/an/an/an/an/an/a



The Ohio State University Research Foundation

US Patent


Assay Description
PDK-1 kinase activity This in vitro assay was performed using a PDK-1 kinase assay kit (Upstate, Lake Placid, N.Y.) according to the vendor's ins...


US Patent US8741944 (2014)


BindingDB Entry DOI: 10.7270/Q2TB15M1
More data for this
Ligand-Target Pair
3-phosphoinositide dependent protein kinase-1


(Homo sapiens (human))
BDBM123427
PNG
(US8741944, 49)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1ccc(cc1)-c1cc(Cl)c(Cl)cc1Cl)C(F)(F)F
Show InChI InChI=1S/C22H13Cl3F3N3O2S/c23-17-10-19(25)18(24)9-16(17)12-1-3-13(4-2-12)20-11-21(22(26,27)28)30-31(20)14-5-7-15(8-6-14)34(29,32)33/h1-11H,(H2,29,32,33)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 9.00E+3n/an/an/an/an/an/a



The Ohio State University Research Foundation

US Patent


Assay Description
PDK-1 kinase activity This in vitro assay was performed using a PDK-1 kinase assay kit (Upstate, Lake Placid, N.Y.) according to the vendor's ins...


US Patent US8741944 (2014)


BindingDB Entry DOI: 10.7270/Q2TB15M1
More data for this
Ligand-Target Pair
3-phosphoinositide dependent protein kinase-1


(Homo sapiens (human))
BDBM123428
PNG
(US8741944, 50)
Show SMILES Cc1ccc(cc1)-c1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C23H18F3N3O2S/c1-15-2-4-16(5-3-15)17-6-8-18(9-7-17)21-14-22(23(24,25)26)28-29(21)19-10-12-20(13-11-19)32(27,30)31/h2-14H,1H3,(H2,27,30,31)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 1.50E+4n/an/an/an/an/an/a



The Ohio State University Research Foundation

US Patent


Assay Description
PDK-1 kinase activity This in vitro assay was performed using a PDK-1 kinase assay kit (Upstate, Lake Placid, N.Y.) according to the vendor's ins...


US Patent US8741944 (2014)


BindingDB Entry DOI: 10.7270/Q2TB15M1
More data for this
Ligand-Target Pair
3-phosphoinositide dependent protein kinase-1


(Homo sapiens (human))
BDBM123429
PNG
(US8741944, 51)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1ccc(cc1)-c1ccc(cc1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C23H15F6N3O2S/c24-22(25,26)17-7-5-15(6-8-17)14-1-3-16(4-2-14)20-13-21(23(27,28)29)31-32(20)18-9-11-19(12-10-18)35(30,33)34/h1-13H,(H2,30,33,34)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 1.80E+4n/an/an/an/an/an/a



The Ohio State University Research Foundation

US Patent


Assay Description
PDK-1 kinase activity This in vitro assay was performed using a PDK-1 kinase assay kit (Upstate, Lake Placid, N.Y.) according to the vendor's ins...


US Patent US8741944 (2014)


BindingDB Entry DOI: 10.7270/Q2TB15M1
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50001746
PNG
(CHEMBL3238414)
Show SMILES CS(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1ccccc1)C(F)(F)F
Show InChI InChI=1S/C17H13F3N2O2S/c1-25(23,24)14-9-7-13(8-10-14)22-15(12-5-3-2-4-6-12)11-16(21-22)17(18,19)20/h2-11H,1H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>5.00E+5n/an/an/an/an/an/a



Keio University

Curated by ChEMBL


Assay Description
Inhibition of purified ovine COX-1 by enzyme immunoassay


Bioorg Med Chem 22: 2529-34 (2014)


Article DOI: 10.1016/j.bmc.2014.02.032
BindingDB Entry DOI: 10.7270/Q2K35W5T
More data for this
Ligand-Target Pair
3-phosphoinositide dependent protein kinase-1


(Homo sapiens (human))
BDBM123417
PNG
(US8741944, 38)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1ccc(CCCBr)cc1)C(F)(F)F
Show InChI InChI=1S/C19H17BrF3N3O2S/c20-11-1-2-13-3-5-14(6-4-13)17-12-18(19(21,22)23)25-26(17)15-7-9-16(10-8-15)29(24,27)28/h3-10,12H,1-2,11H2,(H2,24,27,28)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 3.80E+4n/an/an/an/an/an/a



The Ohio State University Research Foundation

US Patent


Assay Description
PDK-1 kinase activity This in vitro assay was performed using a PDK-1 kinase assay kit (Upstate, Lake Placid, N.Y.) according to the vendor's ins...


US Patent US8741944 (2014)


BindingDB Entry DOI: 10.7270/Q2TB15M1
More data for this
Ligand-Target Pair