Found 632 hits with Last Name = 'mayer' and Initial = 's' Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM158419
(US9029393, 97)Show SMILES Cn1nc(-c2cnc3ccc(F)cn23)c2ccc(cc12)C(=O)N1CCCCCCC1 Show InChI InChI=1S/C23H24FN5O/c1-27-19-13-16(23(30)28-11-5-3-2-4-6-12-28)7-9-18(19)22(26-27)20-14-25-21-10-8-17(24)15-29(20)21/h7-10,13-15H,2-6,11-12H2,1H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
Similars
| US Patent
| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kaldi Pharma, SAS
US Patent
| Assay Description
Assay protocol: Compounds were evaluated on an in-vitro binding assay developed based on the technology described in the patent WO 98/55873. This ass... |
US Patent US9029393 (2015)
BindingDB Entry DOI: 10.7270/Q2D50KQH |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50011298
(CHEMBL3260730 | US9029393, 101)Show SMILES COC[C@H]1CCCN1C(=O)c1ccc2c(nn(C)c2c1)-c1cnc2ccc(cn12)C#N |r| Show InChI InChI=1S/C23H22N6O2/c1-27-19-10-16(23(30)28-9-3-4-17(28)14-31-2)6-7-18(19)22(26-27)20-12-25-21-8-5-15(11-24)13-29(20)21/h5-8,10,12-13,17H,3-4,9,14H2,1-2H3/t17-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| US Patent
| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kaldi Pharma, SAS
US Patent
| Assay Description
Assay protocol: Compounds were evaluated on an in-vitro binding assay developed based on the technology described in the patent WO 98/55873. This ass... |
US Patent US9029393 (2015)
BindingDB Entry DOI: 10.7270/Q2D50KQH |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM158417
(US9029393, 79)Show SMILES Cn1nc(-c2cnc3ccc(F)cn23)c2ccc(cc12)C(=O)N1CCCCCC1 Show InChI InChI=1S/C22H22FN5O/c1-26-18-12-15(22(29)27-10-4-2-3-5-11-27)6-8-17(18)21(25-26)19-13-24-20-9-7-16(23)14-28(19)20/h6-9,12-14H,2-5,10-11H2,1H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kaldi Pharma, SAS
US Patent
| Assay Description
Assay protocol: Compounds were evaluated on an in-vitro binding assay developed based on the technology described in the patent WO 98/55873. This ass... |
US Patent US9029393 (2015)
BindingDB Entry DOI: 10.7270/Q2D50KQH |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50011299
(CHEMBL3260731 | US9029393, 113)Show SMILES Fc1ccc2ncc(-c3noc4cc(ccc34)C(=O)N3CCCCCC3)n2c1 Show InChI InChI=1S/C21H19FN4O2/c22-15-6-8-19-23-12-17(26(19)13-15)20-16-7-5-14(11-18(16)28-24-20)21(27)25-9-3-1-2-4-10-25/h5-8,11-13H,1-4,9-10H2 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| US Patent
| 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kaldi Pharma, SAS
US Patent
| Assay Description
Assay protocol: Compounds were evaluated on an in-vitro binding assay developed based on the technology described in the patent WO 98/55873. This ass... |
US Patent US9029393 (2015)
BindingDB Entry DOI: 10.7270/Q2D50KQH |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Escherichia coli) | BDBM18049
(3-({[(4-{[(carbamimidamidomethanimidoyl)sulfanyl]m...)Show InChI InChI=1S/C14H22N8S2/c1-7-3-10(6-24-14(20)22-12(17)18)8(2)4-9(7)5-23-13(19)21-11(15)16/h3-4H,5-6H2,1-2H3,(H5,15,16,19,21)(H5,17,18,20,22) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| MMDB
PDB
Article
PubMed
| 11.5 | -45.3 | n/a | n/a | n/a | n/a | n/a | 7.5 | 25 |
University of Prince Edward Island
| Assay Description
The oxidation of NADPH was monitored at 340 nm using a Molecular Devices SpectraMax Plus 96-well microtiter plate reading spectrophotometer. Plots we... |
J Med Chem 49: 6977-86 (2006)
Article DOI: 10.1021/jm060570v
BindingDB Entry DOI: 10.7270/Q2T43RCM |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50011297
(CHEMBL3260729 | US9029393, 14)Show SMILES Fc1ccc2ncc(C(=O)c3ccc(cc3)C(=O)N3CCCCCC3)n2c1 Show InChI InChI=1S/C21H20FN3O2/c22-17-9-10-19-23-13-18(25(19)14-17)20(26)15-5-7-16(8-6-15)21(27)24-11-3-1-2-4-12-24/h5-10,13-14H,1-4,11-12H2 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| US Patent
| 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kaldi Pharma, SAS
US Patent
| Assay Description
Assay protocol: Compounds were evaluated on an in-vitro binding assay developed based on the technology described in the patent WO 98/55873. This ass... |
US Patent US9029393 (2015)
BindingDB Entry DOI: 10.7270/Q2D50KQH |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM158420
(US9029393, 107)Show SMILES Fc1ccc2ncc(-c3nn(Cc4ccccc4)c4cc(ccc34)C(=O)N3CCCCCC3)n2c1 Show InChI InChI=1S/C28H26FN5O/c29-22-11-13-26-30-17-25(33(26)19-22)27-23-12-10-21(28(35)32-14-6-1-2-7-15-32)16-24(23)34(31-27)18-20-8-4-3-5-9-20/h3-5,8-13,16-17,19H,1-2,6-7,14-15,18H2 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| 34 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kaldi Pharma, SAS
US Patent
| Assay Description
Assay protocol: Compounds were evaluated on an in-vitro binding assay developed based on the technology described in the patent WO 98/55873. This ass... |
US Patent US9029393 (2015)
BindingDB Entry DOI: 10.7270/Q2D50KQH |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM158412
(US9029393, 24)Show SMILES CCN(C1CCCCC1)C(=O)c1ccc(cc1Cl)C(=O)c1cnc2ccc(F)cn12 Show InChI InChI=1S/C23H23ClFN3O2/c1-2-27(17-6-4-3-5-7-17)23(30)18-10-8-15(12-19(18)24)22(29)20-13-26-21-11-9-16(25)14-28(20)21/h8-14,17H,2-7H2,1H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| 34 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kaldi Pharma, SAS
US Patent
| Assay Description
Assay protocol: Compounds were evaluated on an in-vitro binding assay developed based on the technology described in the patent WO 98/55873. This ass... |
US Patent US9029393 (2015)
BindingDB Entry DOI: 10.7270/Q2D50KQH |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM158424
(US9029393, 132)Show SMILES Fc1ccc2ncc(-n3nnc4cc(ccc34)C(=O)N3CCCCCC3)n2c1 Show InChI InChI=1S/C20H19FN6O/c21-15-6-8-18-22-12-19(26(18)13-15)27-17-7-5-14(11-16(17)23-24-27)20(28)25-9-3-1-2-4-10-25/h5-8,11-13H,1-4,9-10H2 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| 72 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kaldi Pharma, SAS
US Patent
| Assay Description
Assay protocol: Compounds were evaluated on an in-vitro binding assay developed based on the technology described in the patent WO 98/55873. This ass... |
US Patent US9029393 (2015)
BindingDB Entry DOI: 10.7270/Q2D50KQH |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM158426
(US9029393, 136)Show SMILES Nc1nc(-c2cnc3ccc(F)cn23)c2ccc(cc2n1)C(=O)N1CCCCCC1 Show InChI InChI=1S/C22H21FN6O/c23-15-6-8-19-25-12-18(29(19)13-15)20-16-7-5-14(11-17(16)26-22(24)27-20)21(30)28-9-3-1-2-4-10-28/h5-8,11-13H,1-4,9-10H2,(H2,24,26,27) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| 84 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kaldi Pharma, SAS
US Patent
| Assay Description
Assay protocol: Compounds were evaluated on an in-vitro binding assay developed based on the technology described in the patent WO 98/55873. This ass... |
US Patent US9029393 (2015)
BindingDB Entry DOI: 10.7270/Q2D50KQH |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM158413
(US9029393, 30)Show SMILES Nc1cc(ccc1C(=O)c1cnc2ccc(F)cn12)C(=O)N1CCCCCC1 Show InChI InChI=1S/C21H21FN4O2/c22-15-6-8-19-24-12-18(26(19)13-15)20(27)16-7-5-14(11-17(16)23)21(28)25-9-3-1-2-4-10-25/h5-8,11-13H,1-4,9-10,23H2 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| 103 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kaldi Pharma, SAS
US Patent
| Assay Description
Assay protocol: Compounds were evaluated on an in-vitro binding assay developed based on the technology described in the patent WO 98/55873. This ass... |
US Patent US9029393 (2015)
BindingDB Entry DOI: 10.7270/Q2D50KQH |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM158410
(US9029393, 10)Show SMILES CCN(C1CCCCC1)C(=O)c1ccc(cc1)C(=O)c1cnc2ccc(Br)cn12 Show InChI InChI=1S/C23H24BrN3O2/c1-2-26(19-6-4-3-5-7-19)23(29)17-10-8-16(9-11-17)22(28)20-14-25-21-13-12-18(24)15-27(20)21/h8-15,19H,2-7H2,1H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| 108 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kaldi Pharma, SAS
US Patent
| Assay Description
Assay protocol: Compounds were evaluated on an in-vitro binding assay developed based on the technology described in the patent WO 98/55873. This ass... |
US Patent US9029393 (2015)
BindingDB Entry DOI: 10.7270/Q2D50KQH |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM158414
(US9029393, 48)Show SMILES O=C(N(C1CCCCC1)C1CCCCC1)c1ccc(cc1)C(=O)c1cnc2ccccn12 Show InChI InChI=1S/C27H31N3O2/c31-26(24-19-28-25-13-7-8-18-29(24)25)20-14-16-21(17-15-20)27(32)30(22-9-3-1-4-10-22)23-11-5-2-6-12-23/h7-8,13-19,22-23H,1-6,9-12H2 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| 138 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kaldi Pharma, SAS
US Patent
| Assay Description
Assay protocol: Compounds were evaluated on an in-vitro binding assay developed based on the technology described in the patent WO 98/55873. This ass... |
US Patent US9029393 (2015)
BindingDB Entry DOI: 10.7270/Q2D50KQH |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM158422
(US9029393, 125)Show SMILES O=C(N1CCOCC1)c1ccc2c(noc2c1)-c1cnc2ccc(cn12)[N+]#[C-] Show InChI InChI=1S/C20H15N5O3/c1-21-14-3-5-18-22-11-16(25(18)12-14)19-15-4-2-13(10-17(15)28-23-19)20(26)24-6-8-27-9-7-24/h2-5,10-12H,6-9H2 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| 147 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kaldi Pharma, SAS
US Patent
| Assay Description
Assay protocol: Compounds were evaluated on an in-vitro binding assay developed based on the technology described in the patent WO 98/55873. This ass... |
US Patent US9029393 (2015)
BindingDB Entry DOI: 10.7270/Q2D50KQH |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM158416
(US9029393, 71)Show SMILES O=C(N1CCCc2ccccc12)c1ccc(cc1)C(=O)c1cnc2ccccn12 Show InChI InChI=1S/C24H19N3O2/c28-23(21-16-25-22-9-3-4-14-26(21)22)18-10-12-19(13-11-18)24(29)27-15-5-7-17-6-1-2-8-20(17)27/h1-4,6,8-14,16H,5,7,15H2 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| 171 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kaldi Pharma, SAS
US Patent
| Assay Description
Assay protocol: Compounds were evaluated on an in-vitro binding assay developed based on the technology described in the patent WO 98/55873. This ass... |
US Patent US9029393 (2015)
BindingDB Entry DOI: 10.7270/Q2D50KQH |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM158409
(US9029393, 7)Show SMILES CCN(C1CCCCC1)C(=O)c1ccc(cc1)C(=O)c1cnc2ccc(cn12)[N+]#[C-] Show InChI InChI=1S/C24H24N4O2/c1-3-27(20-7-5-4-6-8-20)24(30)18-11-9-17(10-12-18)23(29)21-15-26-22-14-13-19(25-2)16-28(21)22/h9-16,20H,3-8H2,1H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| 171 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kaldi Pharma, SAS
US Patent
| Assay Description
Assay protocol: Compounds were evaluated on an in-vitro binding assay developed based on the technology described in the patent WO 98/55873. This ass... |
US Patent US9029393 (2015)
BindingDB Entry DOI: 10.7270/Q2D50KQH |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM158418
(US9029393, 85)Show SMILES Cn1nc(-c2cnc3ccc(cn23)C(F)(F)F)c2ccc(cc12)C(=O)N1CCCCCC1 Show InChI InChI=1S/C23H22F3N5O/c1-29-18-12-15(22(32)30-10-4-2-3-5-11-30)6-8-17(18)21(28-29)19-13-27-20-9-7-16(14-31(19)20)23(24,25)26/h6-9,12-14H,2-5,10-11H2,1H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| 177 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kaldi Pharma, SAS
US Patent
| Assay Description
Assay protocol: Compounds were evaluated on an in-vitro binding assay developed based on the technology described in the patent WO 98/55873. This ass... |
US Patent US9029393 (2015)
BindingDB Entry DOI: 10.7270/Q2D50KQH |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM158415
(US9029393, 56)Show SMILES CCN(C(=O)c1ccc(cc1)C(=O)c1cnc2ccccn12)c1ccccc1 Show InChI InChI=1S/C23H19N3O2/c1-2-25(19-8-4-3-5-9-19)23(28)18-13-11-17(12-14-18)22(27)20-16-24-21-10-6-7-15-26(20)21/h3-16H,2H2,1H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| 188 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kaldi Pharma, SAS
US Patent
| Assay Description
Assay protocol: Compounds were evaluated on an in-vitro binding assay developed based on the technology described in the patent WO 98/55873. This ass... |
US Patent US9029393 (2015)
BindingDB Entry DOI: 10.7270/Q2D50KQH |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM158423
(US9029393, 129)Show SMILES CCN(C1CCCCC1)C(=O)c1ccc2nc(oc2c1)-c1cnc2ccccn12 Show InChI InChI=1S/C23H24N4O2/c1-2-26(17-8-4-3-5-9-17)23(28)16-11-12-18-20(14-16)29-22(25-18)19-15-24-21-10-6-7-13-27(19)21/h6-7,10-15,17H,2-5,8-9H2,1H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| 256 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kaldi Pharma, SAS
US Patent
| Assay Description
Assay protocol: Compounds were evaluated on an in-vitro binding assay developed based on the technology described in the patent WO 98/55873. This ass... |
US Patent US9029393 (2015)
BindingDB Entry DOI: 10.7270/Q2D50KQH |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM158411
(US9029393, 23)Show SMILES CCN(C1CCCCC1)C(=O)c1ccc(nc1)C(=O)c1cnc2ccccn12 Show InChI InChI=1S/C22H24N4O2/c1-2-25(17-8-4-3-5-9-17)22(28)16-11-12-18(23-14-16)21(27)19-15-24-20-10-6-7-13-26(19)20/h6-7,10-15,17H,2-5,8-9H2,1H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| 264 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kaldi Pharma, SAS
US Patent
| Assay Description
Assay protocol: Compounds were evaluated on an in-vitro binding assay developed based on the technology described in the patent WO 98/55873. This ass... |
US Patent US9029393 (2015)
BindingDB Entry DOI: 10.7270/Q2D50KQH |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM158421
(US9029393, 111)Show SMILES CN1CCN(CC1)C(=O)n1nc(-c2cnc3ccc(F)cn23)c2ccc(cc12)C(=O)N1CCCCCC1 Show InChI InChI=1S/C27H30FN7O2/c1-31-12-14-33(15-13-31)27(37)35-22-16-19(26(36)32-10-4-2-3-5-11-32)6-8-21(22)25(30-35)23-17-29-24-9-7-20(28)18-34(23)24/h6-9,16-18H,2-5,10-15H2,1H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| 291 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kaldi Pharma, SAS
US Patent
| Assay Description
Assay protocol: Compounds were evaluated on an in-vitro binding assay developed based on the technology described in the patent WO 98/55873. This ass... |
US Patent US9029393 (2015)
BindingDB Entry DOI: 10.7270/Q2D50KQH |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM158425
(US9029393, 134)Show SMILES Fc1ccc2ncc(-c3c[nH]c4cc(ccc34)C(=O)N3CCCCCC3)n2c1 Show InChI InChI=1S/C22H21FN4O/c23-16-6-8-21-25-13-20(27(21)14-16)18-12-24-19-11-15(5-7-17(18)19)22(28)26-9-3-1-2-4-10-26/h5-8,11-14,24H,1-4,9-10H2 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| 348 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kaldi Pharma, SAS
US Patent
| Assay Description
Assay protocol: Compounds were evaluated on an in-vitro binding assay developed based on the technology described in the patent WO 98/55873. This ass... |
US Patent US9029393 (2015)
BindingDB Entry DOI: 10.7270/Q2D50KQH |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM158427
(US9029393, 139)Show SMILES CCN(C1CCCCC1)C(=O)c1ccc(cc1)C(=O)c1cnc2ccc(Cl)nn12 Show InChI InChI=1S/C22H23ClN4O2/c1-2-26(17-6-4-3-5-7-17)22(29)16-10-8-15(9-11-16)21(28)18-14-24-20-13-12-19(23)25-27(18)20/h8-14,17H,2-7H2,1H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| 459 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kaldi Pharma, SAS
US Patent
| Assay Description
Assay protocol: Compounds were evaluated on an in-vitro binding assay developed based on the technology described in the patent WO 98/55873. This ass... |
US Patent US9029393 (2015)
BindingDB Entry DOI: 10.7270/Q2D50KQH |
More data for this
Ligand-Target Pair | |
Metabotropic glutamate receptor 2
(Homo sapiens (Human)) | BDBM50332633
(CHEMBL1630806 | N-(4-Methylphenyl)-7-oxo-7,7a-dihy...)Show InChI InChI=1S/C18H16N2O3/c1-11-6-8-12(9-7-11)19-17(21)18-10-14(18)16(20-22)13-4-2-3-5-15(13)23-18/h2-9,14,16H,10H2,1H3,(H,19,21) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Domain Therapeutics SA
Curated by ChEMBL
| Assay Description
Binding affinity to GFP tagged human mGluR2 containing truncated N-terminal region expressed in HEK cells by FRET assay |
J Med Chem 53: 8775-9 (2010)
Article DOI: 10.1021/jm101069m
BindingDB Entry DOI: 10.7270/Q2WD40VJ |
More data for this
Ligand-Target Pair | |
Metabotropic glutamate receptor 2
(Homo sapiens (Human)) | BDBM50332634
(CHEMBL1630807 | N-(4-Methoxyphenyl)-7-oxo-7,7a-dih...)Show InChI InChI=1S/C18H16N2O4/c1-23-12-8-6-11(7-9-12)19-17(21)18-10-14(18)16(20-22)13-4-2-3-5-15(13)24-18/h2-9,14,16H,10H2,1H3,(H,19,21) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Domain Therapeutics SA
Curated by ChEMBL
| Assay Description
Binding affinity to GFP tagged human mGluR2 containing truncated N-terminal region expressed in HEK cells by FRET assay |
J Med Chem 53: 8775-9 (2010)
Article DOI: 10.1021/jm101069m
BindingDB Entry DOI: 10.7270/Q2WD40VJ |
More data for this
Ligand-Target Pair | |
Metabotropic glutamate receptor 2
(Homo sapiens (Human)) | BDBM50332632
(CHEMBL1630805 | N-(4-Chlorophenyl)-7-oxo-7,7a-dihy...)Show InChI InChI=1S/C17H13ClN2O3/c18-10-5-7-11(8-6-10)19-16(21)17-9-13(17)15(20-22)12-3-1-2-4-14(12)23-17/h1-8,13,15H,9H2,(H,19,21) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Domain Therapeutics SA
Curated by ChEMBL
| Assay Description
Binding affinity to GFP tagged human mGluR2 containing truncated N-terminal region expressed in HEK cells by FRET assay |
J Med Chem 53: 8775-9 (2010)
Article DOI: 10.1021/jm101069m
BindingDB Entry DOI: 10.7270/Q2WD40VJ |
More data for this
Ligand-Target Pair | |
Metabotropic glutamate receptor 2
(Homo sapiens (Human)) | BDBM50332631
(CHEMBL1630804 | N-(4-Fluorophenyl)-7-oxo-7,7a-dihy...)Show InChI InChI=1S/C17H13FN2O3/c18-10-5-7-11(8-6-10)19-16(21)17-9-13(17)15(20-22)12-3-1-2-4-14(12)23-17/h1-8,13,15H,9H2,(H,19,21) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 6.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Domain Therapeutics SA
Curated by ChEMBL
| Assay Description
Binding affinity to GFP tagged human mGluR2 containing truncated N-terminal region expressed in HEK cells by FRET assay |
J Med Chem 53: 8775-9 (2010)
Article DOI: 10.1021/jm101069m
BindingDB Entry DOI: 10.7270/Q2WD40VJ |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50241077
(CHEMBL4060815)Show SMILES CNC(=O)c1ccc2CCc3cc(Nc4cc(NC(=O)c5cccc(F)c5)c(F)cc4F)ccc3C(=O)c2c1 Show InChI InChI=1S/C30H22F3N3O3/c1-34-29(38)19-8-6-16-5-7-17-12-21(9-10-22(17)28(37)23(16)13-19)35-26-15-27(25(33)14-24(26)32)36-30(39)18-3-2-4-20(31)11-18/h2-4,6,8-15,35H,5,7H2,1H3,(H,34,38)(H,36,39) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.100 | n/a | n/a | n/a | n/a | n/a | n/a |
Eberhard-Karls-Universitaet Tuebingen
Curated by ChEMBL
| Assay Description
Inhibition of P38 alpha MAPK (unknown origin) by ELISA |
J Med Chem 60: 8027-8054 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00745
BindingDB Entry DOI: 10.7270/Q2RV0QVZ |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50241058
(CHEMBL4104440)Show SMILES CNC(=O)c1ccc2CCc3cc(Nc4cc(NC(=O)c5ccc(cc5)C(F)(F)F)c(F)cc4F)ccc3C(=O)c2c1 Show InChI InChI=1S/C31H22F5N3O3/c1-37-29(41)19-5-3-16-2-4-18-12-21(10-11-22(18)28(40)23(16)13-19)38-26-15-27(25(33)14-24(26)32)39-30(42)17-6-8-20(9-7-17)31(34,35)36/h3,5-15,38H,2,4H2,1H3,(H,37,41)(H,39,42) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a |
Eberhard-Karls-Universitaet Tuebingen
Curated by ChEMBL
| Assay Description
Inhibition of P38 alpha MAPK (unknown origin) by ELISA |
J Med Chem 60: 8027-8054 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00745
BindingDB Entry DOI: 10.7270/Q2RV0QVZ |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50241013
(CHEMBL4066023)Show SMILES OCC(O)CNC(=O)c1ccc2CCc3cc(Nc4cc(NC(=O)c5ccccc5)c(F)cc4F)ccc3C(=O)c2c1 Show InChI InChI=1S/C32H27F2N3O5/c33-26-14-27(34)29(37-32(42)19-4-2-1-3-5-19)15-28(26)36-22-10-11-24-20(12-22)8-6-18-7-9-21(13-25(18)30(24)40)31(41)35-16-23(39)17-38/h1-5,7,9-15,23,36,38-39H,6,8,16-17H2,(H,35,41)(H,37,42) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a |
Eberhard-Karls-Universitaet Tuebingen
Curated by ChEMBL
| Assay Description
Inhibition of P38 alpha MAPK (unknown origin) by ELISA |
J Med Chem 60: 8027-8054 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00745
BindingDB Entry DOI: 10.7270/Q2RV0QVZ |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50425360
(CHEMBL2316207)Show SMILES Fc1ccc(Nc2ccc3c(CCc4ccc(cc4C3=O)C(=O)NCCN3CCOCC3)c2)cc1NC(=O)c1ccccc1 Show InChI InChI=1S/C35H33FN4O4/c36-31-13-11-28(22-32(31)39-35(43)24-4-2-1-3-5-24)38-27-10-12-29-25(20-27)8-6-23-7-9-26(21-30(23)33(29)41)34(42)37-14-15-40-16-18-44-19-17-40/h1-5,7,9-13,20-22,38H,6,8,14-19H2,(H,37,42)(H,39,43) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| n/a | n/a | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a |
University of T£bingen
Curated by ChEMBL
| Assay Description
Inhibition of p38alpha MAP kinase (unknown origin) by ELISA |
J Med Chem 56: 241-53 (2013)
Article DOI: 10.1021/jm301539x
BindingDB Entry DOI: 10.7270/Q2TB187B |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50241078
(CHEMBL4073561)Show SMILES CNC(=O)c1ccc2CCc3cc(Nc4cc(NC(=O)c5ccc(Cl)cc5)c(F)cc4F)ccc3C(=O)c2c1 Show InChI InChI=1S/C30H22ClF2N3O3/c1-34-29(38)19-5-3-16-2-4-18-12-21(10-11-22(18)28(37)23(16)13-19)35-26-15-27(25(33)14-24(26)32)36-30(39)17-6-8-20(31)9-7-17/h3,5-15,35H,2,4H2,1H3,(H,34,38)(H,36,39) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a |
Eberhard-Karls-Universitaet Tuebingen
Curated by ChEMBL
| Assay Description
Inhibition of P38 alpha MAPK (unknown origin) by ELISA |
J Med Chem 60: 8027-8054 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00745
BindingDB Entry DOI: 10.7270/Q2RV0QVZ |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50425360
(CHEMBL2316207)Show SMILES Fc1ccc(Nc2ccc3c(CCc4ccc(cc4C3=O)C(=O)NCCN3CCOCC3)c2)cc1NC(=O)c1ccccc1 Show InChI InChI=1S/C35H33FN4O4/c36-31-13-11-28(22-32(31)39-35(43)24-4-2-1-3-5-24)38-27-10-12-29-25(20-27)8-6-23-7-9-26(21-30(23)33(29)41)34(42)37-14-15-40-16-18-44-19-17-40/h1-5,7,9-13,20-22,38H,6,8,14-19H2,(H,37,42)(H,39,43) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| n/a | n/a | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a |
Eberhard-Karls-Universitaet Tuebingen
Curated by ChEMBL
| Assay Description
Inhibition of P38 alpha MAPK (unknown origin) by ELISA |
J Med Chem 60: 8027-8054 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00745
BindingDB Entry DOI: 10.7270/Q2RV0QVZ |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50241059
(CHEMBL4069496)Show SMILES CNC(=O)c1ccc2CCc3cc(Nc4cc(NC(=O)c5cccc(OC)c5)c(F)cc4F)ccc3C(=O)c2c1 Show InChI InChI=1S/C31H25F2N3O4/c1-34-30(38)20-9-7-17-6-8-18-12-21(10-11-23(18)29(37)24(17)14-20)35-27-16-28(26(33)15-25(27)32)36-31(39)19-4-3-5-22(13-19)40-2/h3-5,7,9-16,35H,6,8H2,1-2H3,(H,34,38)(H,36,39) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a |
Eberhard-Karls-Universitaet Tuebingen
Curated by ChEMBL
| Assay Description
Inhibition of P38 alpha MAPK (unknown origin) by ELISA |
J Med Chem 60: 8027-8054 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00745
BindingDB Entry DOI: 10.7270/Q2RV0QVZ |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50241010
(CHEMBL4074237)Show SMILES Cc1cc(F)c(NC(=O)c2ccccc2)cc1Nc1ccc2c(CCc3ccc(cc3C2=O)C(=O)NC[C@@H](O)CO)c1 |r| Show InChI InChI=1S/C33H30FN3O5/c1-19-13-28(34)30(37-33(42)21-5-3-2-4-6-21)16-29(19)36-24-11-12-26-22(14-24)9-7-20-8-10-23(15-27(20)31(26)40)32(41)35-17-25(39)18-38/h2-6,8,10-16,25,36,38-39H,7,9,17-18H2,1H3,(H,35,41)(H,37,42)/t25-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.280 | n/a | n/a | n/a | n/a | n/a | n/a |
Eberhard-Karls-Universitaet Tuebingen
Curated by ChEMBL
| Assay Description
Inhibition of P38 alpha MAPK in human whole blood assessed as reduction in TNF-alpha release after 10 mins by ELISA |
J Med Chem 60: 8027-8054 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00745
BindingDB Entry DOI: 10.7270/Q2RV0QVZ |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50241055
(CHEMBL4066347)Show SMILES OCCNC(=O)c1ccc2CCc3cc(Nc4ccc(F)c(NC(=O)c5ccccc5)c4)ccc3C(=O)c2c1 Show InChI InChI=1S/C31H26FN3O4/c32-27-13-11-24(18-28(27)35-31(39)20-4-2-1-3-5-20)34-23-10-12-25-21(16-23)8-6-19-7-9-22(17-26(19)29(25)37)30(38)33-14-15-36/h1-5,7,9-13,16-18,34,36H,6,8,14-15H2,(H,33,38)(H,35,39) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
MMDB
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 0.300 | n/a | n/a | n/a | n/a | n/a | n/a |
Eberhard-Karls-Universitaet Tuebingen
Curated by ChEMBL
| Assay Description
Inhibition of P38 alpha MAPK (unknown origin) by ELISA |
J Med Chem 60: 8027-8054 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00745
BindingDB Entry DOI: 10.7270/Q2RV0QVZ |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50241017
(CHEMBL4101643)Show SMILES NC(=O)c1ccc2CCc3cc(Nc4ccc(F)c(NC(=O)c5ccccc5)c4)ccc3C(=O)c2c1 Show InChI InChI=1S/C29H22FN3O3/c30-25-13-11-22(16-26(25)33-29(36)18-4-2-1-3-5-18)32-21-10-12-23-19(14-21)8-6-17-7-9-20(28(31)35)15-24(17)27(23)34/h1-5,7,9-16,32H,6,8H2,(H2,31,35)(H,33,36) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.300 | n/a | n/a | n/a | n/a | n/a | n/a |
Eberhard-Karls-Universitaet Tuebingen
Curated by ChEMBL
| Assay Description
Inhibition of P38 alpha MAPK (unknown origin) by ELISA |
J Med Chem 60: 8027-8054 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00745
BindingDB Entry DOI: 10.7270/Q2RV0QVZ |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50241062
(CHEMBL4100394)Show SMILES CNC(=O)c1ccc2CCc3cc(Nc4cc(NC(=O)c5cccc(Cl)c5)c(F)cc4F)ccc3C(=O)c2c1 Show InChI InChI=1S/C30H22ClF2N3O3/c1-34-29(38)19-8-6-16-5-7-17-12-21(9-10-22(17)28(37)23(16)13-19)35-26-15-27(25(33)14-24(26)32)36-30(39)18-3-2-4-20(31)11-18/h2-4,6,8-15,35H,5,7H2,1H3,(H,34,38)(H,36,39) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.300 | n/a | n/a | n/a | n/a | n/a | n/a |
Eberhard-Karls-Universitaet Tuebingen
Curated by ChEMBL
| Assay Description
Inhibition of P38 alpha MAPK (unknown origin) by ELISA |
J Med Chem 60: 8027-8054 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00745
BindingDB Entry DOI: 10.7270/Q2RV0QVZ |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50425359
(CHEMBL2316490)Show SMILES Fc1ccc(Nc2ccc3c(CCc4ccc(OCCN5CCOCC5)cc4C3=O)c2)cc1NC(=O)c1ccsc1 Show InChI InChI=1S/C32H30FN3O4S/c33-29-8-5-25(18-30(29)35-32(38)23-9-16-41-20-23)34-24-4-7-27-22(17-24)2-1-21-3-6-26(19-28(21)31(27)37)40-15-12-36-10-13-39-14-11-36/h3-9,16-20,34H,1-2,10-15H2,(H,35,38) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.300 | n/a | n/a | n/a | n/a | n/a | n/a |
University of T£bingen
Curated by ChEMBL
| Assay Description
Inhibition of p38alpha MAP kinase (unknown origin) by ELISA |
J Med Chem 56: 241-53 (2013)
Article DOI: 10.1021/jm301539x
BindingDB Entry DOI: 10.7270/Q2TB187B |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50241014
(CHEMBL4087408)Show SMILES Fc1cc(F)c(Nc2ccc3c(CCc4ccc(cc4C3=O)C(=O)NCCN3CCOCC3)c2)cc1NC(=O)c1ccccc1 Show InChI InChI=1S/C35H32F2N4O4/c36-29-20-30(37)32(40-35(44)23-4-2-1-3-5-23)21-31(29)39-26-10-11-27-24(18-26)8-6-22-7-9-25(19-28(22)33(27)42)34(43)38-12-13-41-14-16-45-17-15-41/h1-5,7,9-11,18-21,39H,6,8,12-17H2,(H,38,43)(H,40,44) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.400 | n/a | n/a | n/a | n/a | n/a | n/a |
Eberhard-Karls-Universitaet Tuebingen
Curated by ChEMBL
| Assay Description
Inhibition of P38 alpha MAPK (unknown origin) by ELISA |
J Med Chem 60: 8027-8054 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00745
BindingDB Entry DOI: 10.7270/Q2RV0QVZ |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50241020
(CHEMBL4072910)Show SMILES COC(=O)c1ccc2COc3cc(Nc4cc(NC(=O)c5ccsc5)c(F)cc4C)ccc3C(=O)c2c1 Show InChI InChI=1S/C28H21FN2O5S/c1-15-9-22(29)24(31-27(33)18-7-8-37-14-18)12-23(15)30-19-5-6-20-25(11-19)36-13-17-4-3-16(28(34)35-2)10-21(17)26(20)32/h3-12,14,30H,13H2,1-2H3,(H,31,33) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.400 | n/a | n/a | n/a | n/a | n/a | n/a |
Eberhard-Karls-Universitaet Tuebingen
Curated by ChEMBL
| Assay Description
Inhibition of P38 alpha MAPK (unknown origin) by ELISA |
J Med Chem 60: 8027-8054 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00745
BindingDB Entry DOI: 10.7270/Q2RV0QVZ |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50241061
(CHEMBL4089021)Show SMILES CNC(=O)c1ccc2CCc3cc(Nc4cc(NC(=O)c5ccc(F)cc5)c(F)cc4F)ccc3C(=O)c2c1 Show InChI InChI=1S/C30H22F3N3O3/c1-34-29(38)19-5-3-16-2-4-18-12-21(10-11-22(18)28(37)23(16)13-19)35-26-15-27(25(33)14-24(26)32)36-30(39)17-6-8-20(31)9-7-17/h3,5-15,35H,2,4H2,1H3,(H,34,38)(H,36,39) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.400 | n/a | n/a | n/a | n/a | n/a | n/a |
Eberhard-Karls-Universitaet Tuebingen
Curated by ChEMBL
| Assay Description
Inhibition of P38 alpha MAPK (unknown origin) by ELISA |
J Med Chem 60: 8027-8054 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00745
BindingDB Entry DOI: 10.7270/Q2RV0QVZ |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50241060
(CHEMBL4096722)Show SMILES CNC(=O)c1ccc2CCc3cc(Nc4cc(NC(=O)c5ccc(OC)cc5)c(F)cc4F)ccc3C(=O)c2c1 Show InChI InChI=1S/C31H25F2N3O4/c1-34-30(38)20-6-4-17-3-5-19-13-21(9-12-23(19)29(37)24(17)14-20)35-27-16-28(26(33)15-25(27)32)36-31(39)18-7-10-22(40-2)11-8-18/h4,6-16,35H,3,5H2,1-2H3,(H,34,38)(H,36,39) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.400 | n/a | n/a | n/a | n/a | n/a | n/a |
Eberhard-Karls-Universitaet Tuebingen
Curated by ChEMBL
| Assay Description
Inhibition of P38 alpha MAPK (unknown origin) by ELISA |
J Med Chem 60: 8027-8054 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00745
BindingDB Entry DOI: 10.7270/Q2RV0QVZ |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50241032
(CHEMBL4082939)Show SMILES NC(=O)c1ccc2CCc3cc(Nc4cc(NC(=O)c5cccs5)c(F)cc4F)ccc3C(=O)c2c1 Show InChI InChI=1S/C27H19F2N3O3S/c28-20-12-21(29)23(32-27(35)24-2-1-9-36-24)13-22(20)31-17-7-8-18-15(10-17)5-3-14-4-6-16(26(30)34)11-19(14)25(18)33/h1-2,4,6-13,31H,3,5H2,(H2,30,34)(H,32,35) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.400 | n/a | n/a | n/a | n/a | n/a | n/a |
Eberhard-Karls-Universitaet Tuebingen
Curated by ChEMBL
| Assay Description
Inhibition of P38 alpha MAPK (unknown origin) by ELISA |
J Med Chem 60: 8027-8054 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00745
BindingDB Entry DOI: 10.7270/Q2RV0QVZ |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50425384
(CHEMBL2316466)Show SMILES Fc1cc(F)c(Nc2ccc3c(CCc4ccc(OCCN5CCOCC5)cc4C3=O)c2)cc1NC(=O)c1ccsc1 Show InChI InChI=1S/C32H29F2N3O4S/c33-27-17-28(34)30(36-32(39)22-7-14-42-19-22)18-29(27)35-23-4-6-25-21(15-23)2-1-20-3-5-24(16-26(20)31(25)38)41-13-10-37-8-11-40-12-9-37/h3-7,14-19,35H,1-2,8-13H2,(H,36,39) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of T£bingen
Curated by ChEMBL
| Assay Description
Inhibition of p38alpha MAP kinase (unknown origin) by ELISA |
J Med Chem 56: 241-53 (2013)
Article DOI: 10.1021/jm301539x
BindingDB Entry DOI: 10.7270/Q2TB187B |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50241016
(CHEMBL4077602)Show SMILES CNC(=O)c1ccc2CCc3cc(Nc4ccc(F)c(NC(=O)c5ccccc5)c4)ccc3C(=O)c2c1 Show InChI InChI=1S/C30H24FN3O3/c1-32-29(36)21-10-8-18-7-9-20-15-22(11-13-24(20)28(35)25(18)16-21)33-23-12-14-26(31)27(17-23)34-30(37)19-5-3-2-4-6-19/h2-6,8,10-17,33H,7,9H2,1H3,(H,32,36)(H,34,37) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Eberhard-Karls-Universitaet Tuebingen
Curated by ChEMBL
| Assay Description
Inhibition of P38 alpha MAPK (unknown origin) by ELISA |
J Med Chem 60: 8027-8054 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00745
BindingDB Entry DOI: 10.7270/Q2RV0QVZ |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50241037
(CHEMBL4076170)Show SMILES NC(=O)c1ccc2CCc3cc(Nc4ccc(F)c(NC(=O)c5cccs5)c4)ccc3C(=O)c2c1 Show InChI InChI=1S/C27H20FN3O3S/c28-22-10-8-19(14-23(22)31-27(34)24-2-1-11-35-24)30-18-7-9-20-16(12-18)5-3-15-4-6-17(26(29)33)13-21(15)25(20)32/h1-2,4,6-14,30H,3,5H2,(H2,29,33)(H,31,34) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 0.600 | n/a | n/a | n/a | n/a | n/a | n/a |
Eberhard-Karls-Universitaet Tuebingen
Curated by ChEMBL
| Assay Description
Inhibition of P38 alpha MAPK (unknown origin) by ELISA |
J Med Chem 60: 8027-8054 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00745
BindingDB Entry DOI: 10.7270/Q2RV0QVZ |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50241027
(CHEMBL4064695)Show SMILES COC(=O)c1ccc2COc3cc(Nc4ccc(F)c(NC(=O)c5cccs5)c4)ccc3C(=O)c2c1 Show InChI InChI=1S/C27H19FN2O5S/c1-34-27(33)15-4-5-16-14-35-23-13-18(6-8-19(23)25(31)20(16)11-15)29-17-7-9-21(28)22(12-17)30-26(32)24-3-2-10-36-24/h2-13,29H,14H2,1H3,(H,30,32) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.600 | n/a | n/a | n/a | n/a | n/a | n/a |
Eberhard-Karls-Universitaet Tuebingen
Curated by ChEMBL
| Assay Description
Inhibition of P38 alpha MAPK (unknown origin) by ELISA |
J Med Chem 60: 8027-8054 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00745
BindingDB Entry DOI: 10.7270/Q2RV0QVZ |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50241000
(CHEMBL4092372)Show SMILES OCCNC(=O)c1ccc2CCc3cc(Nc4cc(NC(=O)c5cccs5)c(F)cc4F)ccc3C(=O)c2c1 Show InChI InChI=1S/C29H23F2N3O4S/c30-22-14-23(31)25(34-29(38)26-2-1-11-39-26)15-24(22)33-19-7-8-20-17(12-19)5-3-16-4-6-18(13-21(16)27(20)36)28(37)32-9-10-35/h1-2,4,6-8,11-15,33,35H,3,5,9-10H2,(H,32,37)(H,34,38) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| n/a | n/a | 0.600 | n/a | n/a | n/a | n/a | n/a | n/a |
Eberhard-Karls-Universitaet Tuebingen
Curated by ChEMBL
| Assay Description
Opioid receptor binding affinity in rat brain membrane preparations by the displacement of [3H]- DPDPE (Opioid receptor delta 1-selective radioligand... |
J Med Chem 60: 8027-8054 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00745
BindingDB Entry DOI: 10.7270/Q2RV0QVZ |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50241038
(CHEMBL4071095)Show SMILES OCCNC(=O)c1ccc2CCc3cc(Nc4ccc(F)c(NC(=O)c5cccs5)c4)ccc3C(=O)c2c1 Show InChI InChI=1S/C29H24FN3O4S/c30-24-10-8-21(16-25(24)33-29(37)26-2-1-13-38-26)32-20-7-9-22-18(14-20)5-3-17-4-6-19(15-23(17)27(22)35)28(36)31-11-12-34/h1-2,4,6-10,13-16,32,34H,3,5,11-12H2,(H,31,36)(H,33,37) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.600 | n/a | n/a | n/a | n/a | n/a | n/a |
Eberhard-Karls-Universitaet Tuebingen
Curated by ChEMBL
| Assay Description
Inhibition of P38 alpha MAPK (unknown origin) by ELISA |
J Med Chem 60: 8027-8054 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00745
BindingDB Entry DOI: 10.7270/Q2RV0QVZ |
More data for this
Ligand-Target Pair | |
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