new BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 860 hits with Last Name = 'powers' and Initial = 'd'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cholecystokinin receptor


(Homo sapiens (Human))
BDBM50265494
PNG
((R)-N-methyl-2-(1-(3-(3-(1-methyl-2-oxo-5-phenyl-2...)
Show SMILES CNC(=O)COCC(=O)NCCCCCCNC(=O)COCC(=O)NCCOc1cccc(NC(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(C)C2=O)c1 |r,t:38|
Show InChI InChI=1S/C40H50N8O9/c1-41-33(49)24-55-25-34(50)42-19-10-3-4-11-20-43-35(51)26-56-27-36(52)44-21-22-57-30-16-12-15-29(23-30)45-40(54)47-38-39(53)48(2)32-18-9-8-17-31(32)37(46-38)28-13-6-5-7-14-28/h5-9,12-18,23,38H,3-4,10-11,19-22,24-27H2,1-2H3,(H,41,49)(H,42,50)(H,43,51)(H,44,52)(H2,45,47,54)/t38-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.0210n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Displacement of [125I]CCK-26-33 from CCK2R-MOPR (unknown origin) coexpressed in CHO cells


J Med Chem 52: 247-58 (2009)


Article DOI: 10.1021/jm800174p
BindingDB Entry DOI: 10.7270/Q22V2FZJ
More data for this
Ligand-Target Pair
Cannabinoid receptor 1/Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50265533
PNG
(2-({[(1S,5R,13R,14S,17S)-9,17-dihydroxy-4-methyl-1...)
Show SMILES CNC(=O)COCC(=O)NCCCCNC(=O)COCC(=O)N[C@H]1CC[C@@]2(O)[C@H]3Cc4cc(O)cc5O[C@@H]1[C@]2(CCN3C)c45 |r|
Show InChI InChI=1S/C30H43N5O9/c1-31-23(37)14-42-15-24(38)32-8-3-4-9-33-25(39)16-43-17-26(40)34-20-5-6-30(41)22-12-18-11-19(36)13-21-27(18)29(30,28(20)44-21)7-10-35(22)2/h11,13,20,22,28,36,41H,3-10,12,14-17H2,1-2H3,(H,31,37)(H,32,38)(H,33,39)(H,34,40)/t20-,22+,28-,29-,30+/m0/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.0298n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor (unknown origin) expressed in CHO cells


J Med Chem 52: 247-58 (2009)


Article DOI: 10.1021/jm800174p
BindingDB Entry DOI: 10.7270/Q22V2FZJ
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (Human))
BDBM50265533
PNG
(2-({[(1S,5R,13R,14S,17S)-9,17-dihydroxy-4-methyl-1...)
Show SMILES CNC(=O)COCC(=O)NCCCCNC(=O)COCC(=O)N[C@H]1CC[C@@]2(O)[C@H]3Cc4cc(O)cc5O[C@@H]1[C@]2(CCN3C)c45 |r|
Show InChI InChI=1S/C30H43N5O9/c1-31-23(37)14-42-15-24(38)32-8-3-4-9-33-25(39)16-43-17-26(40)34-20-5-6-30(41)22-12-18-11-19(36)13-21-27(18)29(30,28(20)44-21)7-10-35(22)2/h11,13,20,22,28,36,41H,3-10,12,14-17H2,1-2H3,(H,31,37)(H,32,38)(H,33,39)(H,34,40)/t20-,22+,28-,29-,30+/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.0407n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from CCK2R-MOPR (unknown origin) coexpressed in CHO cells


J Med Chem 52: 247-58 (2009)


Article DOI: 10.1021/jm800174p
BindingDB Entry DOI: 10.7270/Q22V2FZJ
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (Human))
BDBM50265494
PNG
((R)-N-methyl-2-(1-(3-(3-(1-methyl-2-oxo-5-phenyl-2...)
Show SMILES CNC(=O)COCC(=O)NCCCCCCNC(=O)COCC(=O)NCCOc1cccc(NC(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(C)C2=O)c1 |r,t:38|
Show InChI InChI=1S/C40H50N8O9/c1-41-33(49)24-55-25-34(50)42-19-10-3-4-11-20-43-35(51)26-56-27-36(52)44-21-22-57-30-16-12-15-29(23-30)45-40(54)47-38-39(53)48(2)32-18-9-8-17-31(32)37(46-38)28-13-6-5-7-14-28/h5-9,12-18,23,38H,3-4,10-11,19-22,24-27H2,1-2H3,(H,41,49)(H,42,50)(H,43,51)(H,44,52)(H2,45,47,54)/t38-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.0480n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Displacement of [125I]CCK-26-33 from CCK2 receptor (unknown origin) expressed in CHO cells


J Med Chem 52: 247-58 (2009)


Article DOI: 10.1021/jm800174p
BindingDB Entry DOI: 10.7270/Q22V2FZJ
More data for this
Ligand-Target Pair
ITGAV/ITGB3


(Homo sapiens (Human))
BDBM50146490
PNG
(3-(S)-Benzo[1,3]dioxol-5-yl-3-({(R)-5-oxo-1-[3-(1,...)
Show SMILES OC(=O)C[C@H](NC(=O)[C@H]1CN(C(=O)C1)c1cccc(NC2=NCCCN2)c1)c1ccc2OCOc2c1 |t:21|
Show InChI InChI=1S/C25H27N5O6/c31-22-10-16(13-30(22)18-4-1-3-17(11-18)28-25-26-7-2-8-27-25)24(34)29-19(12-23(32)33)15-5-6-20-21(9-15)36-14-35-20/h1,3-6,9,11,16,19H,2,7-8,10,12-14H2,(H,29,34)(H,32,33)(H2,26,27,28)/t16-,19+/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.100n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards vitronectin receptor (AlphaV-beta3 integrin).


Bioorg Med Chem Lett 14: 2905-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.033
BindingDB Entry DOI: 10.7270/Q2416WJD
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50253148
PNG
(CHEMBL522689 | N-(S)-sec-Butyl-6-(6-methyl-3-(meth...)
Show SMILES CC[C@H](C)Nc1nncc2cc(ccc12)-c1c(C)ccc2c(NC)noc12 |r|
Show InChI InChI=1S/C21H23N5O/c1-5-13(3)24-21-16-9-7-14(10-15(16)11-23-25-21)18-12(2)6-8-17-19(18)27-26-20(17)22-4/h6-11,13H,5H2,1-4H3,(H,22,26)(H,24,25)/t13-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.200n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged p38alphaMAPK-induced ATF2 phosphorylation


J Med Chem 51: 6280-92 (2008)


Article DOI: 10.1021/jm8005405
BindingDB Entry DOI: 10.7270/Q218369B
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50253105
PNG
(6-Chloro-N-cyclopropyl-7-(1-((S)-3-methylmorpholin...)
Show SMILES CNc1noc2c(c(Cl)ccc12)-c1ccc2c(nncc2c1)N1CCOC[C@@H]1C |r|
Show InChI InChI=1S/C21H20ClN5O2/c1-12-11-28-8-7-27(12)21-15-4-3-13(9-14(15)10-24-25-21)18-17(22)6-5-16-19(18)29-26-20(16)23-2/h3-6,9-10,12H,7-8,11H2,1-2H3,(H,23,26)/t12-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.200n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged p38alphaMAPK-induced ATF2 phosphorylation


J Med Chem 51: 6280-92 (2008)


Article DOI: 10.1021/jm8005405
BindingDB Entry DOI: 10.7270/Q218369B
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50252776
PNG
(CHEMBL495493 | N-Ethyl-6-methyl-7-(1-((S)-3-methyl...)
Show SMILES CCNc1noc2c(c(C)ccc12)-c1ccc2c(nncc2c1)N1CCOC[C@@H]1C |r|
Show InChI InChI=1S/C23H25N5O2/c1-4-24-22-19-7-5-14(2)20(21(19)30-27-22)16-6-8-18-17(11-16)12-25-26-23(18)28-9-10-29-13-15(28)3/h5-8,11-12,15H,4,9-10,13H2,1-3H3,(H,24,27)/t15-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.300n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged p38alphaMAPK-induced ATF2 phosphorylation


J Med Chem 51: 6280-92 (2008)


Article DOI: 10.1021/jm8005405
BindingDB Entry DOI: 10.7270/Q218369B
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50253150
PNG
(CHEMBL493496 | N,6-Dimethyl-7-(1-((R)-3-methylmorp...)
Show SMILES CNc1noc2c(c(C)ccc12)-c1ccc2c(nncc2c1)N1CCOC[C@H]1C |r|
Show InChI InChI=1S/C22H23N5O2/c1-13-4-6-18-20(29-26-21(18)23-3)19(13)15-5-7-17-16(10-15)11-24-25-22(17)27-8-9-28-12-14(27)2/h4-7,10-11,14H,8-9,12H2,1-3H3,(H,23,26)/t14-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.300n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged p38alphaMAPK-induced ATF2 phosphorylation


J Med Chem 51: 6280-92 (2008)


Article DOI: 10.1021/jm8005405
BindingDB Entry DOI: 10.7270/Q218369B
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50253102
PNG
(6-Methyl-7-(1-((S)-3-methylmorpholino)phthalazin-6...)
Show SMILES C[C@H]1COCCN1c1nncc2cc(ccc12)-c1c(C)ccc2c(N)noc12 |r|
Show InChI InChI=1S/C21H21N5O2/c1-12-3-5-17-19(28-25-20(17)22)18(12)14-4-6-16-15(9-14)10-23-24-21(16)26-7-8-27-11-13(26)2/h3-6,9-10,13H,7-8,11H2,1-2H3,(H2,22,25)/t13-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.300n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged p38alphaMAPK-induced ATF2 phosphorylation


J Med Chem 51: 6280-92 (2008)


Article DOI: 10.1021/jm8005405
BindingDB Entry DOI: 10.7270/Q218369B
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50252777
PNG
(CHEMBL523374 | N,6-Dimethyl-7-(1-((S)-3-methylmorp...)
Show SMILES CNc1noc2c(c(C)ccc12)-c1ccc2c(nncc2c1)N1CCOC[C@@H]1C |r|
Show InChI InChI=1S/C22H23N5O2/c1-13-4-6-18-20(29-26-21(18)23-3)19(13)15-5-7-17-16(10-15)11-24-25-22(17)27-8-9-28-12-14(27)2/h4-7,10-11,14H,8-9,12H2,1-3H3,(H,23,26)/t14-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.400n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged p38alphaMAPK-induced ATF2 phosphorylation


J Med Chem 51: 6280-92 (2008)


Article DOI: 10.1021/jm8005405
BindingDB Entry DOI: 10.7270/Q218369B
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50253149
PNG
(6-Chloro-N-isopropyl-7-(1-((S)-3-methylmorpholino)...)
Show SMILES CC(C)Nc1noc2c(c(Cl)ccc12)-c1ccc2c(nncc2c1)N1CCOC[C@@H]1C |r|
Show InChI InChI=1S/C23H24ClN5O2/c1-13(2)26-22-18-6-7-19(24)20(21(18)31-28-22)15-4-5-17-16(10-15)11-25-27-23(17)29-8-9-30-12-14(29)3/h4-7,10-11,13-14H,8-9,12H2,1-3H3,(H,26,28)/t14-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.400n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged p38alphaMAPK-induced ATF2 phosphorylation


J Med Chem 51: 6280-92 (2008)


Article DOI: 10.1021/jm8005405
BindingDB Entry DOI: 10.7270/Q218369B
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50253103
PNG
(7-(1-Isopropoxyphthalazin-6-yl)-N,6-dimethylbenzo[...)
Show SMILES CNc1noc2c(c(C)ccc12)-c1ccc2c(OC(C)C)nncc2c1
Show InChI InChI=1S/C20H20N4O2/c1-11(2)25-20-15-8-6-13(9-14(15)10-22-23-20)17-12(3)5-7-16-18(17)26-24-19(16)21-4/h5-11H,1-4H3,(H,21,24)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.400n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged p38alphaMAPK-induced ATF2 phosphorylation


J Med Chem 51: 6280-92 (2008)


Article DOI: 10.1021/jm8005405
BindingDB Entry DOI: 10.7270/Q218369B
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50252735
PNG
(CHEMBL495084 | N-Cyclopropyl-6-methyl-7-(1-o-tolyl...)
Show SMILES Cc1ccccc1-c1nncc2cc(ccc12)-c1c(C)ccc2c(NC3CC3)noc12
Show InChI InChI=1S/C26H22N4O/c1-15-5-3-4-6-20(15)24-21-12-8-17(13-18(21)14-27-29-24)23-16(2)7-11-22-25(23)31-30-26(22)28-19-9-10-19/h3-8,11-14,19H,9-10H2,1-2H3,(H,28,30)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.400n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged p38alphaMAPK-induced ATF2 phosphorylation


J Med Chem 51: 6280-92 (2008)


Article DOI: 10.1021/jm8005405
BindingDB Entry DOI: 10.7270/Q218369B
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50252775
PNG
(6-(3-(cyclopropylamino)-6-methylbenzo[d]isoxazol-7...)
Show SMILES CC(C)Nc1nncc2cc(ccc12)-c1c(C)ccc2c(NC3CC3)noc12
Show InChI InChI=1S/C22H23N5O/c1-12(2)24-21-17-9-5-14(10-15(17)11-23-26-21)19-13(3)4-8-18-20(19)28-27-22(18)25-16-6-7-16/h4-5,8-12,16H,6-7H2,1-3H3,(H,24,26)(H,25,27)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.5n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged p38alphaMAPK-induced ATF2 phosphorylation


J Med Chem 51: 6280-92 (2008)


Article DOI: 10.1021/jm8005405
BindingDB Entry DOI: 10.7270/Q218369B
More data for this
Ligand-Target Pair
ITGAV/ITGB3


(Homo sapiens (Human))
BDBM50146492
PNG
(3-Benzo[1,3]dioxol-5-yl-3-({1-[2-fluoro-5-(1,4,5,6...)
Show SMILES OC(=O)CC(NC(=O)C1CN(C(=O)C1)c1cc(NC2=NCCCN2)ccc1F)c1ccc2OCOc2c1 |t:19|
Show InChI InChI=1S/C25H26FN5O6/c26-17-4-3-16(29-25-27-6-1-7-28-25)10-19(17)31-12-15(9-22(31)32)24(35)30-18(11-23(33)34)14-2-5-20-21(8-14)37-13-36-20/h2-5,8,10,15,18H,1,6-7,9,11-13H2,(H,30,35)(H,33,34)(H2,27,28,29)
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.5n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards vitronectin receptor (AlphaV-beta3 integrin).


Bioorg Med Chem Lett 14: 2905-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.033
BindingDB Entry DOI: 10.7270/Q2416WJD
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50253147
PNG
(CHEMBL494305 | N-Isopropyl-6-(6-methyl-3-(methylam...)
Show SMILES CNc1noc2c(c(C)ccc12)-c1ccc2c(NC(C)C)nncc2c1
Show InChI InChI=1S/C20H21N5O/c1-11(2)23-20-15-8-6-13(9-14(15)10-22-24-20)17-12(3)5-7-16-18(17)26-25-19(16)21-4/h5-11H,1-4H3,(H,21,25)(H,23,24)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.5n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged p38alphaMAPK-induced ATF2 phosphorylation


J Med Chem 51: 6280-92 (2008)


Article DOI: 10.1021/jm8005405
BindingDB Entry DOI: 10.7270/Q218369B
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50253104
PNG
(CHEMBL521860 | N-(6-Methyl-7-(1-((S)-3-methylmorph...)
Show SMILES C[C@H]1COCCN1c1nncc2cc(ccc12)-c1c(C)ccc2c(NC(C)=O)noc12 |r|
Show InChI InChI=1S/C23H23N5O3/c1-13-4-6-19-21(31-27-22(19)25-15(3)29)20(13)16-5-7-18-17(10-16)11-24-26-23(18)28-8-9-30-12-14(28)2/h4-7,10-11,14H,8-9,12H2,1-3H3,(H,25,27,29)/t14-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.600n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged p38alphaMAPK-induced ATF2 phosphorylation


J Med Chem 51: 6280-92 (2008)


Article DOI: 10.1021/jm8005405
BindingDB Entry DOI: 10.7270/Q218369B
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50252736
PNG
(CHEMBL522877 | N-Cyclopropyl-6-methyl-7-(1-((S)-3-...)
Show SMILES C[C@H]1COCCN1c1nncc2cc(ccc12)-c1c(C)ccc2c(NC3CC3)noc12 |r|
Show InChI InChI=1S/C24H25N5O2/c1-14-3-7-20-22(31-28-23(20)26-18-5-6-18)21(14)16-4-8-19-17(11-16)12-25-27-24(19)29-9-10-30-13-15(29)2/h3-4,7-8,11-12,15,18H,5-6,9-10,13H2,1-2H3,(H,26,28)/t15-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.700n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged p38alphaMAPK-induced ATF2 phosphorylation


J Med Chem 51: 6280-92 (2008)


Article DOI: 10.1021/jm8005405
BindingDB Entry DOI: 10.7270/Q218369B
More data for this
Ligand-Target Pair
ITGAV/ITGB3


(Homo sapiens (Human))
BDBM50146497
PNG
(3-Benzo[1,3]dioxol-5-yl-3-({5-oxo-1-[3-(1,4,5,6-te...)
Show SMILES OC(=O)CC(NC(=O)C1CN(C(=O)C1)c1cccc(NC2=NCCCN2)c1)c1ccc2OCOc2c1 |t:21|
Show InChI InChI=1S/C25H27N5O6/c31-22-10-16(13-30(22)18-4-1-3-17(11-18)28-25-26-7-2-8-27-25)24(34)29-19(12-23(32)33)15-5-6-20-21(9-15)36-14-35-20/h1,3-6,9,11,16,19H,2,7-8,10,12-14H2,(H,29,34)(H,32,33)(H2,26,27,28)
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
0.700n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Affinity for alphaIIb-beta3 integrin


Bioorg Med Chem Lett 14: 2905-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.033
BindingDB Entry DOI: 10.7270/Q2416WJD
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50252774
PNG
(1-((S)-4-(6-(3-(Cyclopropylamino)-6-methylbenzo[d]...)
Show SMILES C[C@H]1CN(CCN1c1nncc2cc(ccc12)-c1c(C)ccc2c(NC3CC3)noc12)C(C)=O |r|
Show InChI InChI=1S/C26H28N6O2/c1-15-4-8-22-24(34-30-25(22)28-20-6-7-20)23(15)18-5-9-21-19(12-18)13-27-29-26(21)32-11-10-31(17(3)33)14-16(32)2/h4-5,8-9,12-13,16,20H,6-7,10-11,14H2,1-3H3,(H,28,30)/t16-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.800n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged p38alphaMAPK-induced ATF2 phosphorylation


J Med Chem 51: 6280-92 (2008)


Article DOI: 10.1021/jm8005405
BindingDB Entry DOI: 10.7270/Q218369B
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50253101
PNG
(7-(1-Isopropylphthalazin-6-yl)-N,6-dimethylbenzo[d...)
Show SMILES CNc1noc2c(c(C)ccc12)-c1ccc2c(nncc2c1)C(C)C
Show InChI InChI=1S/C20H20N4O/c1-11(2)18-15-8-6-13(9-14(15)10-22-23-18)17-12(3)5-7-16-19(17)25-24-20(16)21-4/h5-11H,1-4H3,(H,21,24)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.10n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged p38alphaMAPK-induced ATF2 phosphorylation


J Med Chem 51: 6280-92 (2008)


Article DOI: 10.1021/jm8005405
BindingDB Entry DOI: 10.7270/Q218369B
More data for this
Ligand-Target Pair
ITGAV/ITGB3


(Homo sapiens (Human))
BDBM50146493
PNG
(3-({5-Oxo-1-[3-(1,4,5,6-tetrahydro-pyrimidin-2-yla...)
Show SMILES OC(=O)CC(NC(=O)C1CN(C(=O)C1)c1cccc(NC2=NCCCN2)c1)c1cccnc1 |t:21|
Show InChI InChI=1S/C23H26N6O4/c30-20-10-16(22(33)28-19(12-21(31)32)15-4-2-7-24-13-15)14-29(20)18-6-1-5-17(11-18)27-23-25-8-3-9-26-23/h1-2,4-7,11,13,16,19H,3,8-10,12,14H2,(H,28,33)(H,31,32)(H2,25,26,27)
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
1.40n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards vitronectin receptor (AlphaV-beta3 integrin).


Bioorg Med Chem Lett 14: 2905-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.033
BindingDB Entry DOI: 10.7270/Q2416WJD
More data for this
Ligand-Target Pair
MAP kinase p38


(Homo sapiens (Human))
BDBM50252777
PNG
(CHEMBL523374 | N,6-Dimethyl-7-(1-((S)-3-methylmorp...)
Show SMILES CNc1noc2c(c(C)ccc12)-c1ccc2c(nncc2c1)N1CCOC[C@@H]1C |r|
Show InChI InChI=1S/C22H23N5O2/c1-13-4-6-18-20(29-26-21(18)23-3)19(13)15-5-7-17-16(10-15)11-24-25-22(17)27-8-9-28-12-14(27)2/h4-7,10-11,14H,8-9,12H2,1-3H3,(H,23,26)/t14-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.80n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged p38beta-induced ATF2 phosphorylation


J Med Chem 51: 6280-92 (2008)


Article DOI: 10.1021/jm8005405
BindingDB Entry DOI: 10.7270/Q218369B
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50252738
PNG
(6-Methyl-7-(1-((S)-3-methylmorpholino)phthalazin-6...)
Show SMILES C[C@H]1COCCN1c1nncc2cc(ccc12)-c1c(C)ccc2c(N)nsc12 |r|
Show InChI InChI=1S/C21H21N5OS/c1-12-3-5-17-19(28-25-20(17)22)18(12)14-4-6-16-15(9-14)10-23-24-21(16)26-7-8-27-11-13(26)2/h3-6,9-10,13H,7-8,11H2,1-2H3,(H2,22,25)/t13-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
2n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged p38alphaMAPK-induced ATF2 phosphorylation


J Med Chem 51: 6280-92 (2008)


Article DOI: 10.1021/jm8005405
BindingDB Entry DOI: 10.7270/Q218369B
More data for this
Ligand-Target Pair
ITGAV/ITGB3


(Homo sapiens (Human))
BDBM50146481
PNG
(3-Benzo[1,3]dioxol-5-yl-3-({1-[3-(3-benzyl-ureido)...)
Show SMILES OC(=O)CC(NC(=O)C1CN(C(=O)C1)c1cccc(NC(=O)NCc2ccccc2)c1)c1ccc2OCOc2c1
Show InChI InChI=1S/C29H28N4O7/c34-26-12-20(28(37)32-23(14-27(35)36)19-9-10-24-25(11-19)40-17-39-24)16-33(26)22-8-4-7-21(13-22)31-29(38)30-15-18-5-2-1-3-6-18/h1-11,13,20,23H,12,14-17H2,(H,32,37)(H,35,36)(H2,30,31,38)
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
2.40n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards vitronectin receptor (AlphaV-beta3 integrin).


Bioorg Med Chem Lett 14: 2905-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.033
BindingDB Entry DOI: 10.7270/Q2416WJD
More data for this
Ligand-Target Pair
ITGAV/ITGB3


(Homo sapiens (Human))
BDBM50146488
PNG
(3-{[1-(2-Fluoro-5-guanidino-phenyl)-5-oxo-pyrrolid...)
Show SMILES [#7]\[#6](-[#7])=[#7]/c1ccc(F)c(c1)-[#7]-1-[#6]-[#6](-[#6]-[#6]-1=O)-[#6](=O)-[#7]-[#6](-[#6]-[#6](-[#8])=O)-c1cccnc1
Show InChI InChI=1S/C20H21FN6O4/c21-14-4-3-13(25-20(22)23)7-16(14)27-10-12(6-17(27)28)19(31)26-15(8-18(29)30)11-2-1-5-24-9-11/h1-5,7,9,12,15H,6,8,10H2,(H,26,31)(H,29,30)(H4,22,23,25)
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
2.90n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Affinity for alphaIIb-beta3 integrin


Bioorg Med Chem Lett 14: 2905-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.033
BindingDB Entry DOI: 10.7270/Q2416WJD
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (Human))
BDBM50265490
PNG
(CHEMBL501238 | N-{m-[R(+)-1]Ureaphenoxy}ethyldigly...)
Show SMILES CN1CC[C@]23[C@H]4Oc5cc(O)cc(C[C@@H]1[C@]2(O)CC[C@@H]4NC(=O)COCC(=O)NNC(=O)COCC(=O)NCCOc1cccc(NC(=O)N[C@@H]2N=C(c4ccccc4)c4ccccc4N(C)C2=O)c1)c35 |r,t:54|
Show InChI InChI=1S/C50H55N9O12/c1-58-19-17-49-43-30-21-32(60)24-37(43)71-45(49)35(15-16-50(49,67)38(58)22-30)53-40(62)26-69-28-42(64)57-56-41(63)27-68-25-39(61)51-18-20-70-33-12-8-11-31(23-33)52-48(66)55-46-47(65)59(2)36-14-7-6-13-34(36)44(54-46)29-9-4-3-5-10-29/h3-14,21,23-24,35,38,45-46,60,67H,15-20,22,25-28H2,1-2H3,(H,51,61)(H,53,62)(H,56,63)(H,57,64)(H2,52,55,66)/t35-,38+,45-,46-,49-,50+/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
3.90n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from CCK2R-MOPR (unknown origin) coexpressed in CHO cells


J Med Chem 52: 247-58 (2009)


Article DOI: 10.1021/jm800174p
BindingDB Entry DOI: 10.7270/Q22V2FZJ
More data for this
Ligand-Target Pair
ITGAV/ITGB3


(Homo sapiens (Human))
BDBM50146482
PNG
(3-({1-[3-(4,5-Dihydro-1H-imidazol-2-ylamino)-pheny...)
Show SMILES OC(=O)CC(NC(=O)C1CN(C(=O)C1)c1cccc(NC2=NCCN2)c1)c1cccnc1 |t:21|
Show InChI InChI=1S/C22H24N6O4/c29-19-9-15(21(32)27-18(11-20(30)31)14-3-2-6-23-12-14)13-28(19)17-5-1-4-16(10-17)26-22-24-7-8-25-22/h1-6,10,12,15,18H,7-9,11,13H2,(H,27,32)(H,30,31)(H2,24,25,26)
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
5.10n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Affinity for alphaIIb-beta3 integrin


Bioorg Med Chem Lett 14: 2905-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.033
BindingDB Entry DOI: 10.7270/Q2416WJD
More data for this
Ligand-Target Pair
Cannabinoid receptor 1/Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50265491
PNG
(1-{1-Diglycoldiamide-2-[m-(R(+)-1)ureaphenoxy]etha...)
Show SMILES CN1CC[C@]23[C@H]4Oc5cc(O)cc(C[C@@H]1[C@]2(O)CC[C@@H]4NC(=O)COCC(=O)NCCNC(=O)COCC(=O)NCCOc1cccc(NC(=O)N[C@@H]2N=C(c4ccccc4)c4ccccc4N(C)C2=O)c1)c35 |r,t:56|
Show InChI InChI=1S/C52H59N9O12/c1-60-21-17-51-45-32-23-34(62)26-39(45)73-47(51)37(15-16-52(51,69)40(60)24-32)57-44(66)30-71-28-42(64)54-19-18-53-41(63)27-70-29-43(65)55-20-22-72-35-12-8-11-33(25-35)56-50(68)59-48-49(67)61(2)38-14-7-6-13-36(38)46(58-48)31-9-4-3-5-10-31/h3-14,23,25-26,37,40,47-48,62,69H,15-22,24,27-30H2,1-2H3,(H,53,63)(H,54,64)(H,55,65)(H,57,66)(H2,56,59,68)/t37-,40+,47-,48-,51-,52+/m0/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
5.70n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor (unknown origin) expressed in CHO cells


J Med Chem 52: 247-58 (2009)


Article DOI: 10.1021/jm800174p
BindingDB Entry DOI: 10.7270/Q22V2FZJ
More data for this
Ligand-Target Pair
Cannabinoid receptor 1/Mu-type opioid receptor


(Homo sapiens (Human))
BDBM21015
PNG
((2S)-2-{2-[(2R)-2-[(2S)-2-amino-3-(4-hydroxyphenyl...)
Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N(C)[C@@H](Cc1ccccc1)C(=O)NCCO
Show InChI InChI=1S/C26H35N5O6/c1-17(30-25(36)21(27)14-19-8-10-20(33)11-9-19)24(35)29-16-23(34)31(2)22(26(37)28-12-13-32)15-18-6-4-3-5-7-18/h3-11,17,21-22,32-33H,12-16,27H2,1-2H3,(H,28,37)(H,29,35)(H,30,36)/t17-,21+,22+/m1/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
KEGG
PC cid
PC sid
UniChem
Article
PubMed
6.70n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor (unknown origin) expressed in CHO cells


J Med Chem 52: 247-58 (2009)


Article DOI: 10.1021/jm800174p
BindingDB Entry DOI: 10.7270/Q22V2FZJ
More data for this
Ligand-Target Pair
ITGAV/ITGB3


(Homo sapiens (Human))
BDBM50146485
PNG
(3-(R)-Benzo[1,3]dioxol-5-yl-3-({(R)-5-oxo-1-[3-(1,...)
Show SMILES OC(=O)C[C@@H](NC(=O)[C@H]1CN(C(=O)C1)c1cccc(NC2=NCCCN2)c1)c1ccc2OCOc2c1 |t:21|
Show InChI InChI=1S/C25H27N5O6/c31-22-10-16(13-30(22)18-4-1-3-17(11-18)28-25-26-7-2-8-27-25)24(34)29-19(12-23(32)33)15-5-6-20-21(9-15)36-14-35-20/h1,3-6,9,11,16,19H,2,7-8,10,12-14H2,(H,29,34)(H,32,33)(H2,26,27,28)/t16-,19-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
7.30n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards vitronectin receptor (AlphaV-beta3 integrin).


Bioorg Med Chem Lett 14: 2905-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.033
BindingDB Entry DOI: 10.7270/Q2416WJD
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (Human))
BDBM50265491
PNG
(1-{1-Diglycoldiamide-2-[m-(R(+)-1)ureaphenoxy]etha...)
Show SMILES CN1CC[C@]23[C@H]4Oc5cc(O)cc(C[C@@H]1[C@]2(O)CC[C@@H]4NC(=O)COCC(=O)NCCNC(=O)COCC(=O)NCCOc1cccc(NC(=O)N[C@@H]2N=C(c4ccccc4)c4ccccc4N(C)C2=O)c1)c35 |r,t:56|
Show InChI InChI=1S/C52H59N9O12/c1-60-21-17-51-45-32-23-34(62)26-39(45)73-47(51)37(15-16-52(51,69)40(60)24-32)57-44(66)30-71-28-42(64)54-19-18-53-41(63)27-70-29-43(65)55-20-22-72-35-12-8-11-33(25-35)56-50(68)59-48-49(67)61(2)38-14-7-6-13-36(38)46(58-48)31-9-4-3-5-10-31/h3-14,23,25-26,37,40,47-48,62,69H,15-22,24,27-30H2,1-2H3,(H,53,63)(H,54,64)(H,55,65)(H,57,66)(H2,56,59,68)/t37-,40+,47-,48-,51-,52+/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
7.30n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from CCK2R-MOPR (unknown origin) coexpressed in CHO cells


J Med Chem 52: 247-58 (2009)


Article DOI: 10.1021/jm800174p
BindingDB Entry DOI: 10.7270/Q22V2FZJ
More data for this
Ligand-Target Pair
Cannabinoid receptor 1/Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50265490
PNG
(CHEMBL501238 | N-{m-[R(+)-1]Ureaphenoxy}ethyldigly...)
Show SMILES CN1CC[C@]23[C@H]4Oc5cc(O)cc(C[C@@H]1[C@]2(O)CC[C@@H]4NC(=O)COCC(=O)NNC(=O)COCC(=O)NCCOc1cccc(NC(=O)N[C@@H]2N=C(c4ccccc4)c4ccccc4N(C)C2=O)c1)c35 |r,t:54|
Show InChI InChI=1S/C50H55N9O12/c1-58-19-17-49-43-30-21-32(60)24-37(43)71-45(49)35(15-16-50(49,67)38(58)22-30)53-40(62)26-69-28-42(64)57-56-41(63)27-68-25-39(61)51-18-20-70-33-12-8-11-31(23-33)52-48(66)55-46-47(65)59(2)36-14-7-6-13-34(36)44(54-46)29-9-4-3-5-10-29/h3-14,21,23-24,35,38,45-46,60,67H,15-20,22,25-28H2,1-2H3,(H,51,61)(H,53,62)(H,56,63)(H,57,64)(H2,52,55,66)/t35-,38+,45-,46-,49-,50+/m0/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
8.30n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor (unknown origin) expressed in CHO cells


J Med Chem 52: 247-58 (2009)


Article DOI: 10.1021/jm800174p
BindingDB Entry DOI: 10.7270/Q22V2FZJ
More data for this
Ligand-Target Pair
ITGAV/ITGB3


(Homo sapiens (Human))
BDBM50146496
PNG
((S)-3-({(R)-1-[3-(3-Benzyl-ureido)-phenyl]-5-oxo-p...)
Show SMILES OC(=O)C[C@H](NC(=O)[C@H]1CN(C(=O)C1)c1cccc(NC(=O)NCc2ccccc2)c1)c1cccc(F)c1
Show InChI InChI=1S/C28H27FN4O5/c29-21-9-4-8-19(12-21)24(15-26(35)36)32-27(37)20-13-25(34)33(17-20)23-11-5-10-22(14-23)31-28(38)30-16-18-6-2-1-3-7-18/h1-12,14,20,24H,13,15-17H2,(H,32,37)(H,35,36)(H2,30,31,38)/t20-,24+/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
10n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Affinity for alphaIIb-beta3 integrin


Bioorg Med Chem Lett 14: 2905-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.033
BindingDB Entry DOI: 10.7270/Q2416WJD
More data for this
Ligand-Target Pair
ITGAV/ITGB3


(Homo sapiens (Human))
BDBM50146495
PNG
(3-({1-[3-(3-Benzyl-ureido)-phenyl]-5-oxo-pyrrolidi...)
Show SMILES OC(=O)CC(NC(=O)C1CN(C(=O)C1)c1cccc(NC(=O)NCc2ccccc2)c1)c1cccnc1
Show InChI InChI=1S/C27H27N5O5/c33-24-12-20(26(36)31-23(14-25(34)35)19-8-5-11-28-16-19)17-32(24)22-10-4-9-21(13-22)30-27(37)29-15-18-6-2-1-3-7-18/h1-11,13,16,20,23H,12,14-15,17H2,(H,31,36)(H,34,35)(H2,29,30,37)
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
10n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Affinity for alphaIIb-beta3 integrin


Bioorg Med Chem Lett 14: 2905-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.033
BindingDB Entry DOI: 10.7270/Q2416WJD
More data for this
Ligand-Target Pair
ITGAV/ITGB3


(Homo sapiens (Human))
BDBM50146484
PNG
(3-({1-[3-(3-Benzyl-ureido)-phenyl]-5-oxo-pyrrolidi...)
Show SMILES OC(=O)CC(NC(=O)C1CN(C(=O)C1)c1cccc(NC(=O)NCc2ccccc2)c1)c1cccc(F)c1
Show InChI InChI=1S/C28H27FN4O5/c29-21-9-4-8-19(12-21)24(15-26(35)36)32-27(37)20-13-25(34)33(17-20)23-11-5-10-22(14-23)31-28(38)30-16-18-6-2-1-3-7-18/h1-12,14,20,24H,13,15-17H2,(H,32,37)(H,35,36)(H2,30,31,38)
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
11n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards vitronectin receptor (AlphaV-beta3 integrin).


Bioorg Med Chem Lett 14: 2905-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.033
BindingDB Entry DOI: 10.7270/Q2416WJD
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (Human))
BDBM21015
PNG
((2S)-2-{2-[(2R)-2-[(2S)-2-amino-3-(4-hydroxyphenyl...)
Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N(C)[C@@H](Cc1ccccc1)C(=O)NCCO
Show InChI InChI=1S/C26H35N5O6/c1-17(30-25(36)21(27)14-19-8-10-20(33)11-9-19)24(35)29-16-23(34)31(2)22(26(37)28-12-13-32)15-18-6-4-3-5-7-18/h3-11,17,21-22,32-33H,12-16,27H2,1-2H3,(H,28,37)(H,29,35)(H,30,36)/t17-,21+,22+/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
KEGG
PC cid
PC sid
UniChem
Article
PubMed
11n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from CCK2R-MOPR (unknown origin) coexpressed in CHO cells


J Med Chem 52: 247-58 (2009)


Article DOI: 10.1021/jm800174p
BindingDB Entry DOI: 10.7270/Q22V2FZJ
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (Human))
BDBM50006878
PNG
((R)-1-(1-Methyl-2-oxo-5-phenyl-2,3-dihydro-1H-benz...)
Show SMILES CN1c2ccccc2C(=N[C@@H](NC(=O)Nc2ccc(C)cc2)C1=O)c1ccccc1 |c:9|
Show InChI InChI=1S/C24H22N4O2/c1-16-12-14-18(15-13-16)25-24(30)27-22-23(29)28(2)20-11-7-6-10-19(20)21(26-22)17-8-4-3-5-9-17/h3-15,22H,1-2H3,(H2,25,27,30)/t22-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
14n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Displacement of [125I]CCK-26-33 from CCK2R-MOPR (unknown origin) coexpressed in CHO cells


J Med Chem 52: 247-58 (2009)


Article DOI: 10.1021/jm800174p
BindingDB Entry DOI: 10.7270/Q22V2FZJ
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (Human))
BDBM50265493
PNG
(CHEMBL442943 | N-{m-[R(+)-1]Ureaphenoxy}ethyl-N'-o...)
Show SMILES CN1CC[C@]23[C@H]4Oc5cc(O)cc(C[C@@H]1[C@]2(O)CC[C@@H]4NC(=O)COCC(=O)NCCOc1cccc(NC(=O)N[C@@H]2N=C(c4ccccc4)c4ccccc4N(C)C2=O)c1)c35 |r,t:45|
Show InChI InChI=1S/C46H49N7O9/c1-52-19-17-45-39-28-21-30(54)24-35(39)62-41(45)33(15-16-46(45,59)36(52)22-28)49-38(56)26-60-25-37(55)47-18-20-61-31-12-8-11-29(23-31)48-44(58)51-42-43(57)53(2)34-14-7-6-13-32(34)40(50-42)27-9-4-3-5-10-27/h3-14,21,23-24,33,36,41-42,54,59H,15-20,22,25-26H2,1-2H3,(H,47,55)(H,49,56)(H2,48,51,58)/t33-,36+,41-,42-,45-,46+/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
14.2n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from CCK2R-MOPR (unknown origin) coexpressed in CHO cells


J Med Chem 52: 247-58 (2009)


Article DOI: 10.1021/jm800174p
BindingDB Entry DOI: 10.7270/Q22V2FZJ
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50253151
PNG
(6-Methyl-7-(1-((S)-3-methylmorpholino)phthalazin-6...)
Show SMILES C[C@H]1COCCN1c1nncc2cc(ccc12)-c1c(C)ccc2c(N)n[nH]c12 |r|
Show InChI InChI=1S/C21H22N6O/c1-12-3-5-17-19(24-25-20(17)22)18(12)14-4-6-16-15(9-14)10-23-26-21(16)27-7-8-28-11-13(27)2/h3-6,9-10,13H,7-8,11H2,1-2H3,(H3,22,24,25)/t13-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
16n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged p38alphaMAPK-induced ATF2 phosphorylation


J Med Chem 51: 6280-92 (2008)


Article DOI: 10.1021/jm8005405
BindingDB Entry DOI: 10.7270/Q218369B
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (Human))
BDBM50265492
PNG
(1-{1-Diglycoldiamide-6-[m-(R(+)-1)ureaphenoxy]etha...)
Show SMILES CN1CC[C@]23[C@H]4Oc5cc(O)cc(C[C@@H]1[C@]2(O)CC[C@@H]4NC(=O)COCC(=O)NCCCCCCNC(=O)COCC(=O)NCCOc1cccc(NC(=O)N[C@@H]2N=C(c4ccccc4)c4ccccc4N(C)C2=O)c1)c35 |r,t:60|
Show InChI InChI=1S/C56H67N9O12/c1-64-25-21-55-49-36-27-38(66)30-43(49)77-51(55)41(19-20-56(55,73)44(64)28-36)61-48(70)34-75-32-46(68)58-23-11-4-3-10-22-57-45(67)31-74-33-47(69)59-24-26-76-39-16-12-15-37(29-39)60-54(72)63-52-53(71)65(2)42-18-9-8-17-40(42)50(62-52)35-13-6-5-7-14-35/h5-9,12-18,27,29-30,41,44,51-52,66,73H,3-4,10-11,19-26,28,31-34H2,1-2H3,(H,57,67)(H,58,68)(H,59,69)(H,61,70)(H2,60,63,72)/t41-,44+,51-,52-,55-,56+/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
16.3n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from CCK2R-MOPR (unknown origin) coexpressed in CHO cells


J Med Chem 52: 247-58 (2009)


Article DOI: 10.1021/jm800174p
BindingDB Entry DOI: 10.7270/Q22V2FZJ
More data for this
Ligand-Target Pair
ITGAV/ITGB3


(Homo sapiens (Human))
BDBM50146489
PNG
(3-{[1-(3-Guanidino-phenyl)-5-oxo-pyrrolidine-3-car...)
Show SMILES [#7]\[#6](-[#7])=[#7]/c1cccc(c1)-[#7]-1-[#6]-[#6](-[#6]-[#6]-1=O)-[#6](=O)-[#7]-[#6](-[#6]-[#6](-[#8])=O)-c1cccnc1
Show InChI InChI=1S/C20H22N6O4/c21-20(22)24-14-4-1-5-15(8-14)26-11-13(7-17(26)27)19(30)25-16(9-18(28)29)12-3-2-6-23-10-12/h1-6,8,10,13,16H,7,9,11H2,(H,25,30)(H,28,29)(H4,21,22,24)
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
17n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards vitronectin receptor (AlphaV-beta3 integrin).


Bioorg Med Chem Lett 14: 2905-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.033
BindingDB Entry DOI: 10.7270/Q2416WJD
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (Human))
BDBM50006878
PNG
((R)-1-(1-Methyl-2-oxo-5-phenyl-2,3-dihydro-1H-benz...)
Show SMILES CN1c2ccccc2C(=N[C@@H](NC(=O)Nc2ccc(C)cc2)C1=O)c1ccccc1 |c:9|
Show InChI InChI=1S/C24H22N4O2/c1-16-12-14-18(15-13-16)25-24(30)27-22-23(29)28(2)20-11-7-6-10-19(20)21(26-22)17-8-4-3-5-9-17/h3-15,22H,1-2H3,(H2,25,27,30)/t22-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
18n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Displacement of [125I]CCK-26-33 from CCK2 receptor (unknown origin) expressed in CHO cells


J Med Chem 52: 247-58 (2009)


Article DOI: 10.1021/jm800174p
BindingDB Entry DOI: 10.7270/Q22V2FZJ
More data for this
Ligand-Target Pair
Cannabinoid receptor 1/Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50265493
PNG
(CHEMBL442943 | N-{m-[R(+)-1]Ureaphenoxy}ethyl-N'-o...)
Show SMILES CN1CC[C@]23[C@H]4Oc5cc(O)cc(C[C@@H]1[C@]2(O)CC[C@@H]4NC(=O)COCC(=O)NCCOc1cccc(NC(=O)N[C@@H]2N=C(c4ccccc4)c4ccccc4N(C)C2=O)c1)c35 |r,t:45|
Show InChI InChI=1S/C46H49N7O9/c1-52-19-17-45-39-28-21-30(54)24-35(39)62-41(45)33(15-16-46(45,59)36(52)22-28)49-38(56)26-60-25-37(55)47-18-20-61-31-12-8-11-29(23-31)48-44(58)51-42-43(57)53(2)34-14-7-6-13-32(34)40(50-42)27-9-4-3-5-10-27/h3-14,21,23-24,33,36,41-42,54,59H,15-20,22,25-26H2,1-2H3,(H,47,55)(H,49,56)(H2,48,51,58)/t33-,36+,41-,42-,45-,46+/m0/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
24.1n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor (unknown origin) expressed in CHO cells


J Med Chem 52: 247-58 (2009)


Article DOI: 10.1021/jm800174p
BindingDB Entry DOI: 10.7270/Q22V2FZJ
More data for this
Ligand-Target Pair
Cannabinoid receptor 1/Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50265492
PNG
(1-{1-Diglycoldiamide-6-[m-(R(+)-1)ureaphenoxy]etha...)
Show SMILES CN1CC[C@]23[C@H]4Oc5cc(O)cc(C[C@@H]1[C@]2(O)CC[C@@H]4NC(=O)COCC(=O)NCCCCCCNC(=O)COCC(=O)NCCOc1cccc(NC(=O)N[C@@H]2N=C(c4ccccc4)c4ccccc4N(C)C2=O)c1)c35 |r,t:60|
Show InChI InChI=1S/C56H67N9O12/c1-64-25-21-55-49-36-27-38(66)30-43(49)77-51(55)41(19-20-56(55,73)44(64)28-36)61-48(70)34-75-32-46(68)58-23-11-4-3-10-22-57-45(67)31-74-33-47(69)59-24-26-76-39-16-12-15-37(29-39)60-54(72)63-52-53(71)65(2)42-18-9-8-17-40(42)50(62-52)35-13-6-5-7-14-35/h5-9,12-18,27,29-30,41,44,51-52,66,73H,3-4,10-11,19-26,28,31-34H2,1-2H3,(H,57,67)(H,58,68)(H,59,69)(H,61,70)(H2,60,63,72)/t41-,44+,51-,52-,55-,56+/m0/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
29.4n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor (unknown origin) expressed in CHO cells


J Med Chem 52: 247-58 (2009)


Article DOI: 10.1021/jm800174p
BindingDB Entry DOI: 10.7270/Q22V2FZJ
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (Human))
BDBM50265491
PNG
(1-{1-Diglycoldiamide-2-[m-(R(+)-1)ureaphenoxy]etha...)
Show SMILES CN1CC[C@]23[C@H]4Oc5cc(O)cc(C[C@@H]1[C@]2(O)CC[C@@H]4NC(=O)COCC(=O)NCCNC(=O)COCC(=O)NCCOc1cccc(NC(=O)N[C@@H]2N=C(c4ccccc4)c4ccccc4N(C)C2=O)c1)c35 |r,t:56|
Show InChI InChI=1S/C52H59N9O12/c1-60-21-17-51-45-32-23-34(62)26-39(45)73-47(51)37(15-16-52(51,69)40(60)24-32)57-44(66)30-71-28-42(64)54-19-18-53-41(63)27-70-29-43(65)55-20-22-72-35-12-8-11-33(25-35)56-50(68)59-48-49(67)61(2)38-14-7-6-13-36(38)46(58-48)31-9-4-3-5-10-31/h3-14,23,25-26,37,40,47-48,62,69H,15-22,24,27-30H2,1-2H3,(H,53,63)(H,54,64)(H,55,65)(H,57,66)(H2,56,59,68)/t37-,40+,47-,48-,51-,52+/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
33n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Displacement of [125I]CCK-26-33 from CCK2R-MOPR (unknown origin) coexpressed in CHO cells


J Med Chem 52: 247-58 (2009)


Article DOI: 10.1021/jm800174p
BindingDB Entry DOI: 10.7270/Q22V2FZJ
More data for this
Ligand-Target Pair
ITGAV/ITGB3


(Homo sapiens (Human))
BDBM50146494
PNG
(3-{[1-(2-Chloro-5-guanidino-phenyl)-5-oxo-pyrrolid...)
Show SMILES [#7]\[#6](-[#7])=[#7]/c1ccc(Cl)c(c1)-[#7]-1-[#6]-[#6](-[#6]-[#6]-1=O)-[#6](=O)-[#7]-[#6](-[#6]-[#6](-[#8])=O)-c1cccnc1
Show InChI InChI=1S/C20H21ClN6O4/c21-14-4-3-13(25-20(22)23)7-16(14)27-10-12(6-17(27)28)19(31)26-15(8-18(29)30)11-2-1-5-24-9-11/h1-5,7,9,12,15H,6,8,10H2,(H,26,31)(H,29,30)(H4,22,23,25)
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
53n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards vitronectin receptor (AlphaV-beta3 integrin).


Bioorg Med Chem Lett 14: 2905-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.033
BindingDB Entry DOI: 10.7270/Q2416WJD
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (Human))
BDBM50265490
PNG
(CHEMBL501238 | N-{m-[R(+)-1]Ureaphenoxy}ethyldigly...)
Show SMILES CN1CC[C@]23[C@H]4Oc5cc(O)cc(C[C@@H]1[C@]2(O)CC[C@@H]4NC(=O)COCC(=O)NNC(=O)COCC(=O)NCCOc1cccc(NC(=O)N[C@@H]2N=C(c4ccccc4)c4ccccc4N(C)C2=O)c1)c35 |r,t:54|
Show InChI InChI=1S/C50H55N9O12/c1-58-19-17-49-43-30-21-32(60)24-37(43)71-45(49)35(15-16-50(49,67)38(58)22-30)53-40(62)26-69-28-42(64)57-56-41(63)27-68-25-39(61)51-18-20-70-33-12-8-11-31(23-33)52-48(66)55-46-47(65)59(2)36-14-7-6-13-34(36)44(54-46)29-9-4-3-5-10-29/h3-14,21,23-24,35,38,45-46,60,67H,15-20,22,25-28H2,1-2H3,(H,51,61)(H,53,62)(H,56,63)(H,57,64)(H2,52,55,66)/t35-,38+,45-,46-,49-,50+/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
57n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Displacement of [125I]CCK-26-33 from CCK2R-MOPR (unknown origin) coexpressed in CHO cells


J Med Chem 52: 247-58 (2009)


Article DOI: 10.1021/jm800174p
BindingDB Entry DOI: 10.7270/Q22V2FZJ
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (Human))
BDBM50265491
PNG
(1-{1-Diglycoldiamide-2-[m-(R(+)-1)ureaphenoxy]etha...)
Show SMILES CN1CC[C@]23[C@H]4Oc5cc(O)cc(C[C@@H]1[C@]2(O)CC[C@@H]4NC(=O)COCC(=O)NCCNC(=O)COCC(=O)NCCOc1cccc(NC(=O)N[C@@H]2N=C(c4ccccc4)c4ccccc4N(C)C2=O)c1)c35 |r,t:56|
Show InChI InChI=1S/C52H59N9O12/c1-60-21-17-51-45-32-23-34(62)26-39(45)73-47(51)37(15-16-52(51,69)40(60)24-32)57-44(66)30-71-28-42(64)54-19-18-53-41(63)27-70-29-43(65)55-20-22-72-35-12-8-11-33(25-35)56-50(68)59-48-49(67)61(2)38-14-7-6-13-36(38)46(58-48)31-9-4-3-5-10-31/h3-14,23,25-26,37,40,47-48,62,69H,15-22,24,27-30H2,1-2H3,(H,53,63)(H,54,64)(H,55,65)(H,57,66)(H2,56,59,68)/t37-,40+,47-,48-,51-,52+/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
71n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Displacement of [125I]CCK-26-33 from CCK2 receptor (unknown origin) expressed in CHO cells


J Med Chem 52: 247-58 (2009)


Article DOI: 10.1021/jm800174p
BindingDB Entry DOI: 10.7270/Q22V2FZJ
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 860 total )  |  Next  |  Last  >>
Jump to: