Found 19 hits Enz. Inhib. hit(s) with all data for entry = 50003602 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 |
|---|
Mitogen-activated protein kinase 11/12/13/14
(Homo sapiens (Human)) | BDBM50473625
(CHEMBL69319)Show SMILES CN(C)C(=O)[C@@]1(C)CO[C@@H](OC1)c1nc(c([nH]1)-c1ccnc(NCC2CC2)n1)-c1ccc(F)cc1 |wU:9.12,5.5,wD:5.4,(23.19,-11.78,;22.43,-10.44,;23.2,-9.1,;20.89,-10.44,;20.11,-11.77,;20.12,-9.1,;20.89,-7.77,;19.36,-7.77,;17.82,-7.77,;17.05,-9.1,;17.82,-10.44,;19.34,-10.44,;15.51,-9.1,;14.6,-10.34,;13.12,-9.87,;13.14,-8.31,;14.61,-7.84,;11.81,-7.54,;11.81,-5.99,;10.46,-5.22,;9.13,-5.99,;9.13,-7.54,;7.79,-8.31,;6.46,-7.54,;5.12,-8.31,;4.36,-9.64,;3.59,-8.31,;10.46,-8.31,;11.89,-10.76,;12.04,-12.28,;10.8,-13.2,;9.38,-12.56,;8.04,-13.33,;9.22,-11.02,;10.48,-10.12,)| Show InChI InChI=1S/C25H29FN6O3/c1-25(23(33)32(2)3)13-34-22(35-14-25)21-30-19(16-6-8-17(26)9-7-16)20(31-21)18-10-11-27-24(29-18)28-12-15-4-5-15/h6-11,15,22H,4-5,12-14H2,1-3H3,(H,30,31)(H,27,28,29)/t22-,25- | PDB
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a |
Aventis Pharma S.A.
Curated by ChEMBL
| Assay Description
Inhibition of p38-related TNF alpha release by human monocyte cell line (THP-1) |
J Med Chem 45: 2173-84 (2002)
Article DOI: 10.1021/jm011132l
BindingDB Entry DOI: 10.7270/Q2WW7MFK |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 11/12/13/14
(Homo sapiens (Human)) | BDBM50473629
(CHEMBL70053 | RPR-238677)Show SMILES CN1CCN(CC1)C(=O)[C@@]1(C)CO[C@@H](OC1)c1nc(c([nH]1)-c1ccnc(NCC2CC2)n1)-c1ccc(F)cc1 |wU:13.17,9.10,wD:9.9,(22.52,-6.15,;20.98,-6.15,;20.21,-4.81,;18.66,-4.8,;17.9,-6.13,;18.65,-7.46,;20.19,-7.48,;16.36,-6.13,;15.59,-7.46,;15.6,-4.8,;16.36,-3.46,;14.84,-3.46,;13.3,-3.46,;12.54,-4.79,;13.3,-6.12,;14.83,-6.12,;11,-4.79,;10.07,-6.03,;8.62,-5.54,;8.63,-4,;10.1,-3.53,;7.3,-3.23,;7.3,-1.68,;5.96,-.91,;4.62,-1.68,;4.62,-3.23,;3.28,-4,;1.95,-3.23,;.62,-4,;-.16,-5.33,;-.93,-4,;5.96,-4,;7.37,-6.45,;5.96,-5.8,;4.72,-6.7,;4.87,-8.25,;3.53,-9,;6.29,-8.88,;7.53,-7.97,)| Show InChI InChI=1S/C28H34FN7O3/c1-28(26(37)36-13-11-35(2)12-14-36)16-38-25(39-17-28)24-33-22(19-5-7-20(29)8-6-19)23(34-24)21-9-10-30-27(32-21)31-15-18-3-4-18/h5-10,18,25H,3-4,11-17H2,1-2H3,(H,33,34)(H,30,31,32)/t25-,28- | PDB
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| PC cid
PC sid
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| Article
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| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Aventis Pharma S.A.
Curated by ChEMBL
| Assay Description
Inhibition of p38-related TNF alpha release by human monocyte cell line (THP-1) |
J Med Chem 45: 2173-84 (2002)
Article DOI: 10.1021/jm011132l
BindingDB Entry DOI: 10.7270/Q2WW7MFK |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 11/12/13/14
(Homo sapiens (Human)) | BDBM50473626
(CHEMBL71572 | RPR-239938)Show SMILES CCCNC(=O)[C@@]1(C)CO[C@@H](OC1)c1nc(c([nH]1)-c1ccnc(NCc2ccco2)n1)-c1ccc(F)cc1 |wU:10.13,6.6,wD:6.5,(23.17,-14.45,;22.4,-13.11,;23.18,-11.78,;22.42,-10.43,;20.88,-10.43,;20.1,-11.76,;20.11,-9.1,;20.88,-7.77,;19.35,-7.77,;17.82,-7.77,;17.04,-9.1,;17.82,-10.43,;19.33,-10.43,;15.5,-9.1,;14.59,-10.34,;13.12,-9.86,;13.13,-8.3,;14.61,-7.84,;11.8,-7.53,;11.8,-5.99,;10.45,-5.22,;9.12,-5.99,;9.12,-7.53,;7.79,-8.3,;6.46,-7.53,;5.12,-8.3,;3.72,-7.69,;2.69,-8.83,;3.46,-10.17,;4.96,-9.85,;10.45,-8.3,;11.88,-10.76,;12.04,-12.28,;10.8,-13.19,;9.38,-12.56,;8.04,-13.32,;9.22,-11.01,;10.48,-10.12,)| Show InChI InChI=1S/C27H29FN6O4/c1-3-11-29-25(35)27(2)15-37-24(38-16-27)23-33-21(17-6-8-18(28)9-7-17)22(34-23)20-10-12-30-26(32-20)31-14-19-5-4-13-36-19/h4-10,12-13,24H,3,11,14-16H2,1-2H3,(H,29,35)(H,33,34)(H,30,31,32)/t24-,27- | PDB
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UniProtKB/SwissProt
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Aventis Pharma S.A.
Curated by ChEMBL
| Assay Description
Inhibition of p38-related TNF alpha release by human monocyte cell line (THP-1) |
J Med Chem 45: 2173-84 (2002)
Article DOI: 10.1021/jm011132l
BindingDB Entry DOI: 10.7270/Q2WW7MFK |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 11/12/13/14
(Homo sapiens (Human)) | BDBM50473627
(CHEMBL308203 | RPR-239939)Show SMILES CCCNC(=O)[C@@]1(C)CO[C@@H](OC1)c1nc(c([nH]1)-c1ccnc(NCCCOC)n1)-c1ccc(F)cc1 |wU:10.13,6.6,wD:6.5,(26.03,-17.02,;25.26,-15.68,;23.72,-15.68,;22.96,-14.34,;21.42,-14.34,;20.64,-15.67,;20.66,-13.01,;21.42,-11.67,;19.89,-11.68,;18.37,-11.67,;17.6,-13,;18.37,-14.33,;19.89,-14.33,;16.06,-13,;15.14,-14.24,;13.68,-13.75,;13.68,-12.21,;15.15,-11.75,;12.35,-11.44,;12.35,-9.89,;11.02,-9.12,;9.69,-9.89,;9.69,-11.44,;8.35,-12.21,;7.02,-11.44,;5.68,-12.21,;4.35,-11.44,;3.02,-12.2,;1.69,-11.43,;11.02,-12.21,;12.44,-14.65,;12.59,-16.18,;11.35,-17.08,;9.94,-16.45,;8.6,-17.21,;9.79,-14.91,;11.04,-14.01,)| Show InChI InChI=1S/C26H33FN6O4/c1-4-11-28-24(34)26(2)15-36-23(37-16-26)22-32-20(17-6-8-18(27)9-7-17)21(33-22)19-10-13-30-25(31-19)29-12-5-14-35-3/h6-10,13,23H,4-5,11-12,14-16H2,1-3H3,(H,28,34)(H,32,33)(H,29,30,31)/t23-,26- | PDB
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UniProtKB/SwissProt
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antibodypedia
antibodypedia
antibodypedia
GoogleScholar
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Aventis Pharma S.A.
Curated by ChEMBL
| Assay Description
Inhibition of p38-related TNF alpha release by human monocyte cell line (THP-1) |
J Med Chem 45: 2173-84 (2002)
Article DOI: 10.1021/jm011132l
BindingDB Entry DOI: 10.7270/Q2WW7MFK |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 13
(Mus musculus) | BDBM50473623
(CHEMBL309802 | RPR-238778)Show SMILES CN(C)C(=O)[C@@]1(C)CO[C@@H](OC1)c1nc(c([nH]1)-c1ccnc(NCc2ccccn2)n1)-c1ccc(F)cc1 |wU:9.12,5.5,wD:5.4,(19.11,-7.82,;18.34,-6.49,;19.11,-5.14,;16.8,-6.47,;16.03,-7.82,;16.04,-5.16,;16.8,-3.81,;15.28,-3.83,;13.74,-3.81,;12.98,-5.14,;13.74,-6.47,;15.27,-6.47,;11.44,-5.14,;10.53,-6.39,;9.06,-5.91,;9.08,-4.37,;10.55,-3.9,;7.75,-3.59,;7.75,-2.04,;6.4,-1.27,;5.07,-2.04,;5.07,-3.59,;3.74,-4.36,;2.41,-3.59,;1.07,-4.36,;-.26,-3.58,;-1.59,-4.35,;-1.6,-5.89,;-.25,-6.66,;1.08,-5.89,;6.4,-4.36,;7.82,-6.8,;6.42,-6.17,;5.16,-7.05,;5.33,-8.59,;3.97,-9.36,;6.74,-9.22,;7.98,-8.33,)| Show InChI InChI=1S/C27H28FN7O3/c1-27(25(36)35(2)3)15-37-24(38-16-27)23-33-21(17-7-9-18(28)10-8-17)22(34-23)20-11-13-30-26(32-20)31-14-19-6-4-5-12-29-19/h4-13,24H,14-16H2,1-3H3,(H,33,34)(H,30,31,32)/t24-,27- | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Aventis Pharma S.A.
Curated by ChEMBL
| Assay Description
Inhibition of murine Mitogen-activated protein kinase p38 |
J Med Chem 45: 2173-84 (2002)
Article DOI: 10.1021/jm011132l
BindingDB Entry DOI: 10.7270/Q2WW7MFK |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 13
(Mus musculus) | BDBM50473629
(CHEMBL70053 | RPR-238677)Show SMILES CN1CCN(CC1)C(=O)[C@@]1(C)CO[C@@H](OC1)c1nc(c([nH]1)-c1ccnc(NCC2CC2)n1)-c1ccc(F)cc1 |wU:13.17,9.10,wD:9.9,(22.52,-6.15,;20.98,-6.15,;20.21,-4.81,;18.66,-4.8,;17.9,-6.13,;18.65,-7.46,;20.19,-7.48,;16.36,-6.13,;15.59,-7.46,;15.6,-4.8,;16.36,-3.46,;14.84,-3.46,;13.3,-3.46,;12.54,-4.79,;13.3,-6.12,;14.83,-6.12,;11,-4.79,;10.07,-6.03,;8.62,-5.54,;8.63,-4,;10.1,-3.53,;7.3,-3.23,;7.3,-1.68,;5.96,-.91,;4.62,-1.68,;4.62,-3.23,;3.28,-4,;1.95,-3.23,;.62,-4,;-.16,-5.33,;-.93,-4,;5.96,-4,;7.37,-6.45,;5.96,-5.8,;4.72,-6.7,;4.87,-8.25,;3.53,-9,;6.29,-8.88,;7.53,-7.97,)| Show InChI InChI=1S/C28H34FN7O3/c1-28(26(37)36-13-11-35(2)12-14-36)16-38-25(39-17-28)24-33-22(19-5-7-20(29)8-6-19)23(34-24)21-9-10-30-27(32-21)31-15-18-3-4-18/h5-10,18,25H,3-4,11-17H2,1-2H3,(H,33,34)(H,30,31,32)/t25-,28- | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Aventis Pharma S.A.
Curated by ChEMBL
| Assay Description
Inhibition of murine Mitogen-activated protein kinase p38 |
J Med Chem 45: 2173-84 (2002)
Article DOI: 10.1021/jm011132l
BindingDB Entry DOI: 10.7270/Q2WW7MFK |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 13
(Mus musculus) | BDBM50473632
(CHEMBL71425 | RPR-239457)Show SMILES C[C@@]1(CO[C@@H](OC1)c1nc(c([nH]1)-c1ccnc(NCC2CC2)n1)-c1ccc(F)cc1)C(=O)NC1CC1 |wU:4.7,1.0,wD:1.34,(21.05,-9.06,;20.3,-10.39,;19.53,-9.06,;17.99,-9.06,;17.23,-10.39,;17.99,-11.72,;19.52,-11.72,;15.69,-10.39,;14.76,-11.63,;13.3,-11.15,;13.31,-9.61,;14.79,-9.13,;11.98,-8.82,;11.98,-7.28,;10.64,-6.51,;9.31,-7.28,;9.31,-8.82,;7.96,-9.59,;6.62,-8.82,;5.29,-9.59,;4.52,-10.93,;3.75,-9.59,;10.64,-9.59,;12.05,-12.05,;10.65,-11.41,;9.4,-12.31,;9.55,-13.85,;8.21,-14.61,;10.97,-14.48,;12.21,-13.57,;21.05,-11.72,;20.28,-13.05,;22.59,-11.72,;23.37,-13.08,;23.37,-14.62,;24.7,-13.85,)| Show InChI InChI=1S/C26H29FN6O3/c1-26(24(34)30-18-8-9-18)13-35-23(36-14-26)22-32-20(16-4-6-17(27)7-5-16)21(33-22)19-10-11-28-25(31-19)29-12-15-2-3-15/h4-7,10-11,15,18,23H,2-3,8-9,12-14H2,1H3,(H,30,34)(H,32,33)(H,28,29,31)/t23-,26- | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Aventis Pharma S.A.
Curated by ChEMBL
| Assay Description
Inhibition of murine Mitogen-activated protein kinase p38 |
J Med Chem 45: 2173-84 (2002)
Article DOI: 10.1021/jm011132l
BindingDB Entry DOI: 10.7270/Q2WW7MFK |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 13
(Mus musculus) | BDBM50473626
(CHEMBL71572 | RPR-239938)Show SMILES CCCNC(=O)[C@@]1(C)CO[C@@H](OC1)c1nc(c([nH]1)-c1ccnc(NCc2ccco2)n1)-c1ccc(F)cc1 |wU:10.13,6.6,wD:6.5,(23.17,-14.45,;22.4,-13.11,;23.18,-11.78,;22.42,-10.43,;20.88,-10.43,;20.1,-11.76,;20.11,-9.1,;20.88,-7.77,;19.35,-7.77,;17.82,-7.77,;17.04,-9.1,;17.82,-10.43,;19.33,-10.43,;15.5,-9.1,;14.59,-10.34,;13.12,-9.86,;13.13,-8.3,;14.61,-7.84,;11.8,-7.53,;11.8,-5.99,;10.45,-5.22,;9.12,-5.99,;9.12,-7.53,;7.79,-8.3,;6.46,-7.53,;5.12,-8.3,;3.72,-7.69,;2.69,-8.83,;3.46,-10.17,;4.96,-9.85,;10.45,-8.3,;11.88,-10.76,;12.04,-12.28,;10.8,-13.19,;9.38,-12.56,;8.04,-13.32,;9.22,-11.01,;10.48,-10.12,)| Show InChI InChI=1S/C27H29FN6O4/c1-3-11-29-25(35)27(2)15-37-24(38-16-27)23-33-21(17-6-8-18(28)9-7-17)22(34-23)20-10-12-30-26(32-20)31-14-19-5-4-13-36-19/h4-10,12-13,24H,3,11,14-16H2,1-2H3,(H,29,35)(H,33,34)(H,30,31,32)/t24-,27- | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Aventis Pharma S.A.
Curated by ChEMBL
| Assay Description
Inhibition of murine Mitogen-activated protein kinase p38 |
J Med Chem 45: 2173-84 (2002)
Article DOI: 10.1021/jm011132l
BindingDB Entry DOI: 10.7270/Q2WW7MFK |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 13
(Mus musculus) | BDBM50473627
(CHEMBL308203 | RPR-239939)Show SMILES CCCNC(=O)[C@@]1(C)CO[C@@H](OC1)c1nc(c([nH]1)-c1ccnc(NCCCOC)n1)-c1ccc(F)cc1 |wU:10.13,6.6,wD:6.5,(26.03,-17.02,;25.26,-15.68,;23.72,-15.68,;22.96,-14.34,;21.42,-14.34,;20.64,-15.67,;20.66,-13.01,;21.42,-11.67,;19.89,-11.68,;18.37,-11.67,;17.6,-13,;18.37,-14.33,;19.89,-14.33,;16.06,-13,;15.14,-14.24,;13.68,-13.75,;13.68,-12.21,;15.15,-11.75,;12.35,-11.44,;12.35,-9.89,;11.02,-9.12,;9.69,-9.89,;9.69,-11.44,;8.35,-12.21,;7.02,-11.44,;5.68,-12.21,;4.35,-11.44,;3.02,-12.2,;1.69,-11.43,;11.02,-12.21,;12.44,-14.65,;12.59,-16.18,;11.35,-17.08,;9.94,-16.45,;8.6,-17.21,;9.79,-14.91,;11.04,-14.01,)| Show InChI InChI=1S/C26H33FN6O4/c1-4-11-28-24(34)26(2)15-36-23(37-16-26)22-32-20(17-6-8-18(27)9-7-17)21(33-22)19-10-13-30-25(31-19)29-12-5-14-35-3/h6-10,13,23H,4-5,11-12,14-16H2,1-3H3,(H,28,34)(H,32,33)(H,29,30,31)/t23-,26- | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Aventis Pharma S.A.
Curated by ChEMBL
| Assay Description
Inhibition of murine Mitogen-activated protein kinase p38 |
J Med Chem 45: 2173-84 (2002)
Article DOI: 10.1021/jm011132l
BindingDB Entry DOI: 10.7270/Q2WW7MFK |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 13
(Mus musculus) | BDBM50473625
(CHEMBL69319)Show SMILES CN(C)C(=O)[C@@]1(C)CO[C@@H](OC1)c1nc(c([nH]1)-c1ccnc(NCC2CC2)n1)-c1ccc(F)cc1 |wU:9.12,5.5,wD:5.4,(23.19,-11.78,;22.43,-10.44,;23.2,-9.1,;20.89,-10.44,;20.11,-11.77,;20.12,-9.1,;20.89,-7.77,;19.36,-7.77,;17.82,-7.77,;17.05,-9.1,;17.82,-10.44,;19.34,-10.44,;15.51,-9.1,;14.6,-10.34,;13.12,-9.87,;13.14,-8.31,;14.61,-7.84,;11.81,-7.54,;11.81,-5.99,;10.46,-5.22,;9.13,-5.99,;9.13,-7.54,;7.79,-8.31,;6.46,-7.54,;5.12,-8.31,;4.36,-9.64,;3.59,-8.31,;10.46,-8.31,;11.89,-10.76,;12.04,-12.28,;10.8,-13.2,;9.38,-12.56,;8.04,-13.33,;9.22,-11.02,;10.48,-10.12,)| Show InChI InChI=1S/C25H29FN6O3/c1-25(23(33)32(2)3)13-34-22(35-14-25)21-30-19(16-6-8-17(26)9-7-16)20(31-21)18-10-11-27-24(29-18)28-12-15-4-5-15/h6-11,15,22H,4-5,12-14H2,1-3H3,(H,30,31)(H,27,28,29)/t22-,25- | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Aventis Pharma S.A.
Curated by ChEMBL
| Assay Description
Inhibition of murine Mitogen-activated protein kinase p38 |
J Med Chem 45: 2173-84 (2002)
Article DOI: 10.1021/jm011132l
BindingDB Entry DOI: 10.7270/Q2WW7MFK |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 11/12/13/14
(Homo sapiens (Human)) | BDBM50473623
(CHEMBL309802 | RPR-238778)Show SMILES CN(C)C(=O)[C@@]1(C)CO[C@@H](OC1)c1nc(c([nH]1)-c1ccnc(NCc2ccccn2)n1)-c1ccc(F)cc1 |wU:9.12,5.5,wD:5.4,(19.11,-7.82,;18.34,-6.49,;19.11,-5.14,;16.8,-6.47,;16.03,-7.82,;16.04,-5.16,;16.8,-3.81,;15.28,-3.83,;13.74,-3.81,;12.98,-5.14,;13.74,-6.47,;15.27,-6.47,;11.44,-5.14,;10.53,-6.39,;9.06,-5.91,;9.08,-4.37,;10.55,-3.9,;7.75,-3.59,;7.75,-2.04,;6.4,-1.27,;5.07,-2.04,;5.07,-3.59,;3.74,-4.36,;2.41,-3.59,;1.07,-4.36,;-.26,-3.58,;-1.59,-4.35,;-1.6,-5.89,;-.25,-6.66,;1.08,-5.89,;6.4,-4.36,;7.82,-6.8,;6.42,-6.17,;5.16,-7.05,;5.33,-8.59,;3.97,-9.36,;6.74,-9.22,;7.98,-8.33,)| Show InChI InChI=1S/C27H28FN7O3/c1-27(25(36)35(2)3)15-37-24(38-16-27)23-33-21(17-7-9-18(28)10-8-17)22(34-23)20-11-13-30-26(32-20)31-14-19-6-4-5-12-29-19/h4-13,24H,14-16H2,1-3H3,(H,33,34)(H,30,31,32)/t24-,27- | PDB
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Aventis Pharma S.A.
Curated by ChEMBL
| Assay Description
Inhibition of p38-related TNF alpha release by human monocyte THP-1 cell lines |
J Med Chem 45: 2173-84 (2002)
Article DOI: 10.1021/jm011132l
BindingDB Entry DOI: 10.7270/Q2WW7MFK |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 13
(Mus musculus) | BDBM50473622
(CHEMBL70705 | RPR-239497)Show SMILES CC(C)NC(=O)[C@@]1(C)CO[C@@H](OC1)c1nc(c([nH]1)-c1ccnc(NCC2CC2)n1)-c1ccc(F)cc1 |wU:10.13,6.6,wD:6.5,(22.4,-13.11,;23.18,-11.78,;24.72,-11.79,;22.42,-10.43,;20.88,-10.43,;20.1,-11.76,;20.11,-9.1,;20.88,-7.77,;19.35,-7.77,;17.82,-7.77,;17.04,-9.1,;17.82,-10.43,;19.33,-10.43,;15.5,-9.1,;14.59,-10.34,;13.12,-9.86,;13.13,-8.3,;14.61,-7.84,;11.8,-7.53,;11.8,-5.99,;10.45,-5.22,;9.12,-5.99,;9.12,-7.53,;7.79,-8.3,;6.46,-7.53,;5.12,-8.3,;3.58,-8.3,;4.35,-9.64,;10.45,-8.3,;11.88,-10.76,;12.04,-12.28,;10.8,-13.19,;9.38,-12.56,;8.04,-13.32,;9.22,-11.01,;10.48,-10.12,)| Show InChI InChI=1S/C26H31FN6O3/c1-15(2)30-24(34)26(3)13-35-23(36-14-26)22-32-20(17-6-8-18(27)9-7-17)21(33-22)19-10-11-28-25(31-19)29-12-16-4-5-16/h6-11,15-16,23H,4-5,12-14H2,1-3H3,(H,30,34)(H,32,33)(H,28,29,31)/t23-,26- | PDB
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Aventis Pharma S.A.
Curated by ChEMBL
| Assay Description
Inhibition of murine Mitogen-activated protein kinase p38 |
J Med Chem 45: 2173-84 (2002)
Article DOI: 10.1021/jm011132l
BindingDB Entry DOI: 10.7270/Q2WW7MFK |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 13
(Mus musculus) | BDBM50473630
(CHEMBL67911 | RPR-235455)Show SMILES COCCNc1nccc(n1)-c1[nH]c(nc1-c1ccc(F)cc1)[C@H]1OC[C@](C)(CO1)C(=O)NCC1CC1 |wU:23.25,26.33,wD:26.29,(-2.96,-3.99,;-1.63,-3.23,;-.3,-4,;1.05,-3.23,;2.38,-4,;3.72,-3.23,;3.72,-1.68,;5.05,-.91,;6.38,-1.68,;6.38,-3.23,;5.05,-4,;7.71,-4,;9.18,-3.53,;10.09,-4.78,;9.17,-6.03,;7.71,-5.54,;6.46,-6.44,;6.61,-7.97,;5.38,-8.87,;3.97,-8.24,;2.62,-8.99,;3.81,-6.7,;5.06,-5.8,;11.63,-4.78,;12.39,-3.45,;13.92,-3.46,;14.69,-4.79,;15.45,-6.12,;13.92,-6.11,;12.39,-6.11,;15.45,-3.45,;14.66,-2.12,;16.99,-3.44,;17.74,-2.08,;19.28,-2.08,;20.62,-2.83,;20.61,-1.29,)| Show InChI InChI=1S/C26H31FN6O4/c1-26(24(34)30-13-16-3-4-16)14-36-23(37-15-26)22-32-20(17-5-7-18(27)8-6-17)21(33-22)19-9-10-28-25(31-19)29-11-12-35-2/h5-10,16,23H,3-4,11-15H2,1-2H3,(H,30,34)(H,32,33)(H,28,29,31)/t23-,26+ | PDB
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Aventis Pharma S.A.
Curated by ChEMBL
| Assay Description
Inhibition of murine Mitogen-activated protein kinase p38 |
J Med Chem 45: 2173-84 (2002)
Article DOI: 10.1021/jm011132l
BindingDB Entry DOI: 10.7270/Q2WW7MFK |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 11/12/13/14
(Homo sapiens (Human)) | BDBM50473631
(CHEMBL308003 | RPR-200765A)Show SMILES CS(O)(=O)=O.C[C@@]1(CO[C@@H](OC1)c1nc(c([nH]1)-c1ccncc1)-c1ccc(F)cc1)C(=O)N1CCOCC1 |r,wU:9.11,6.4,wD:6.32,(-4.22,-11.83,;-2.87,-11.07,;-2.89,-12.61,;-1.33,-11.07,;-2.89,-9.53,;17.16,-13,;16.4,-14.35,;15.64,-13.02,;14.1,-13,;13.35,-14.33,;14.1,-15.66,;15.63,-15.66,;11.81,-14.33,;10.88,-15.59,;9.43,-15.1,;9.43,-13.56,;10.9,-13.09,;8.1,-12.79,;6.77,-13.56,;5.44,-12.79,;5.44,-11.25,;6.77,-10.46,;8.1,-11.23,;8.17,-15.99,;8.34,-17.52,;7.1,-18.42,;5.68,-17.79,;4.35,-18.56,;5.53,-16.25,;6.77,-15.36,;17.16,-15.68,;16.39,-17.01,;18.7,-15.68,;19.46,-14.35,;21.01,-14.36,;21.77,-15.7,;20.98,-17.03,;19.44,-17.02,)| Show InChI InChI=1S/C24H25FN4O4.CH4O3S/c1-24(23(30)29-10-12-31-13-11-29)14-32-22(33-15-24)21-27-19(16-2-4-18(25)5-3-16)20(28-21)17-6-8-26-9-7-17;1-5(2,3)4/h2-9,22H,10-15H2,1H3,(H,27,28);1H3,(H,2,3,4)/t22-,24-; | PDB
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Aventis Pharma S.A.
Curated by ChEMBL
| Assay Description
Inhibition of p38-related TNF alpha release by human monocyte cell line (THP-1) |
J Med Chem 45: 2173-84 (2002)
Article DOI: 10.1021/jm011132l
BindingDB Entry DOI: 10.7270/Q2WW7MFK |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 13
(Mus musculus) | BDBM50473628
(CHEMBL307604 | RPR-235315)Show SMILES COCCNC(=O)[C@]1(C)CO[C@@H](OC1)c1nc(c([nH]1)-c1ccnc(NCC=C)n1)-c1ccc(F)cc1 |wU:11.14,7.6,wD:7.7,(23.55,-.85,;22.21,-.1,;20.89,-.9,;19.34,-.91,;18.59,-2.25,;17.05,-2.27,;16.26,-.94,;16.29,-3.6,;17.05,-4.94,;15.51,-2.27,;13.99,-2.27,;13.23,-3.6,;13.99,-4.93,;15.51,-4.94,;11.68,-3.6,;10.77,-4.84,;9.3,-4.37,;9.3,-2.83,;10.77,-2.34,;7.97,-2.04,;7.97,-.5,;6.64,.27,;5.31,-.5,;5.31,-2.04,;3.97,-2.81,;2.64,-2.04,;1.29,-2.81,;-.04,-2.04,;6.64,-2.81,;8.06,-5.26,;8.21,-6.78,;6.97,-7.69,;5.56,-7.06,;4.21,-7.82,;5.4,-5.52,;6.66,-4.62,)| Show InChI InChI=1S/C25H29FN6O4/c1-4-10-28-24-29-11-9-18(30-24)20-19(16-5-7-17(26)8-6-16)31-21(32-20)22-35-14-25(2,15-36-22)23(33)27-12-13-34-3/h4-9,11,22H,1,10,12-15H2,2-3H3,(H,27,33)(H,31,32)(H,28,29,30)/t22-,25+ | PDB
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| n/a | n/a | 62 | n/a | n/a | n/a | n/a | n/a | n/a |
Aventis Pharma S.A.
Curated by ChEMBL
| Assay Description
Inhibition of murine Mitogen-activated protein kinase p38 |
J Med Chem 45: 2173-84 (2002)
Article DOI: 10.1021/jm011132l
BindingDB Entry DOI: 10.7270/Q2WW7MFK |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 11/12/13/14
(Homo sapiens (Human)) | BDBM50473624
(CHEMBL71792 | RPR-235316)Show SMILES COCCCNc1nccc(n1)-c1[nH]c(nc1-c1ccc(F)cc1)[C@H]1OC[C@](C)(CO1)C(=O)NCCOC |wU:24.26,27.34,wD:27.30,(-4.2,-5.55,;-2.87,-6.32,;-1.53,-5.55,;-.2,-6.32,;1.14,-5.55,;2.48,-6.32,;3.82,-5.55,;3.82,-4,;5.15,-3.23,;6.48,-4,;6.48,-5.55,;5.15,-6.32,;7.81,-6.33,;9.28,-5.85,;10.2,-7.11,;9.28,-8.35,;7.81,-7.87,;6.57,-8.77,;6.71,-10.29,;5.48,-11.2,;4.07,-10.57,;2.72,-11.33,;3.91,-9.03,;5.16,-8.13,;11.74,-7.11,;12.5,-5.78,;14.03,-5.78,;14.8,-7.11,;15.56,-8.44,;14.03,-8.44,;12.5,-8.44,;15.56,-5.78,;14.78,-4.45,;17.1,-5.76,;17.86,-4.42,;19.4,-4.4,;20.73,-3.61,;22.07,-4.35,)| Show InChI InChI=1S/C26H33FN6O5/c1-26(24(34)28-12-14-36-3)15-37-23(38-16-26)22-32-20(17-5-7-18(27)8-6-17)21(33-22)19-9-11-30-25(31-19)29-10-4-13-35-2/h5-9,11,23H,4,10,12-16H2,1-3H3,(H,28,34)(H,32,33)(H,29,30,31)/t23-,26+ | PDB
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Aventis Pharma S.A.
Curated by ChEMBL
| Assay Description
Inhibition of p38-related TNF alpha release by human monocyte cell line (THP-1) |
J Med Chem 45: 2173-84 (2002)
Article DOI: 10.1021/jm011132l
BindingDB Entry DOI: 10.7270/Q2WW7MFK |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 11/12/13/14
(Homo sapiens (Human)) | BDBM50473628
(CHEMBL307604 | RPR-235315)Show SMILES COCCNC(=O)[C@]1(C)CO[C@@H](OC1)c1nc(c([nH]1)-c1ccnc(NCC=C)n1)-c1ccc(F)cc1 |wU:11.14,7.6,wD:7.7,(23.55,-.85,;22.21,-.1,;20.89,-.9,;19.34,-.91,;18.59,-2.25,;17.05,-2.27,;16.26,-.94,;16.29,-3.6,;17.05,-4.94,;15.51,-2.27,;13.99,-2.27,;13.23,-3.6,;13.99,-4.93,;15.51,-4.94,;11.68,-3.6,;10.77,-4.84,;9.3,-4.37,;9.3,-2.83,;10.77,-2.34,;7.97,-2.04,;7.97,-.5,;6.64,.27,;5.31,-.5,;5.31,-2.04,;3.97,-2.81,;2.64,-2.04,;1.29,-2.81,;-.04,-2.04,;6.64,-2.81,;8.06,-5.26,;8.21,-6.78,;6.97,-7.69,;5.56,-7.06,;4.21,-7.82,;5.4,-5.52,;6.66,-4.62,)| Show InChI InChI=1S/C25H29FN6O4/c1-4-10-28-24-29-11-9-18(30-24)20-19(16-5-7-17(26)8-6-16)31-21(32-20)22-35-14-25(2,15-36-22)23(33)27-12-13-34-3/h4-9,11,22H,1,10,12-15H2,2-3H3,(H,27,33)(H,31,32)(H,28,29,30)/t22-,25+ | PDB
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Aventis Pharma S.A.
Curated by ChEMBL
| Assay Description
Inhibition of p38-related TNF alpha release by human monocyte cell line (THP-1) |
J Med Chem 45: 2173-84 (2002)
Article DOI: 10.1021/jm011132l
BindingDB Entry DOI: 10.7270/Q2WW7MFK |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 13
(Mus musculus) | BDBM50473631
(CHEMBL308003 | RPR-200765A)Show SMILES CS(O)(=O)=O.C[C@@]1(CO[C@@H](OC1)c1nc(c([nH]1)-c1ccncc1)-c1ccc(F)cc1)C(=O)N1CCOCC1 |r,wU:9.11,6.4,wD:6.32,(-4.22,-11.83,;-2.87,-11.07,;-2.89,-12.61,;-1.33,-11.07,;-2.89,-9.53,;17.16,-13,;16.4,-14.35,;15.64,-13.02,;14.1,-13,;13.35,-14.33,;14.1,-15.66,;15.63,-15.66,;11.81,-14.33,;10.88,-15.59,;9.43,-15.1,;9.43,-13.56,;10.9,-13.09,;8.1,-12.79,;6.77,-13.56,;5.44,-12.79,;5.44,-11.25,;6.77,-10.46,;8.1,-11.23,;8.17,-15.99,;8.34,-17.52,;7.1,-18.42,;5.68,-17.79,;4.35,-18.56,;5.53,-16.25,;6.77,-15.36,;17.16,-15.68,;16.39,-17.01,;18.7,-15.68,;19.46,-14.35,;21.01,-14.36,;21.77,-15.7,;20.98,-17.03,;19.44,-17.02,)| Show InChI InChI=1S/C24H25FN4O4.CH4O3S/c1-24(23(30)29-10-12-31-13-11-29)14-32-22(33-15-24)21-27-19(16-2-4-18(25)5-3-16)20(28-21)17-6-8-26-9-7-17;1-5(2,3)4/h2-9,22H,10-15H2,1H3,(H,27,28);1H3,(H,2,3,4)/t22-,24-; | PDB
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Aventis Pharma S.A.
Curated by ChEMBL
| Assay Description
Inhibition of murine Mitogen-activated protein kinase p38 |
J Med Chem 45: 2173-84 (2002)
Article DOI: 10.1021/jm011132l
BindingDB Entry DOI: 10.7270/Q2WW7MFK |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 13
(Mus musculus) | BDBM50473624
(CHEMBL71792 | RPR-235316)Show SMILES COCCCNc1nccc(n1)-c1[nH]c(nc1-c1ccc(F)cc1)[C@H]1OC[C@](C)(CO1)C(=O)NCCOC |wU:24.26,27.34,wD:27.30,(-4.2,-5.55,;-2.87,-6.32,;-1.53,-5.55,;-.2,-6.32,;1.14,-5.55,;2.48,-6.32,;3.82,-5.55,;3.82,-4,;5.15,-3.23,;6.48,-4,;6.48,-5.55,;5.15,-6.32,;7.81,-6.33,;9.28,-5.85,;10.2,-7.11,;9.28,-8.35,;7.81,-7.87,;6.57,-8.77,;6.71,-10.29,;5.48,-11.2,;4.07,-10.57,;2.72,-11.33,;3.91,-9.03,;5.16,-8.13,;11.74,-7.11,;12.5,-5.78,;14.03,-5.78,;14.8,-7.11,;15.56,-8.44,;14.03,-8.44,;12.5,-8.44,;15.56,-5.78,;14.78,-4.45,;17.1,-5.76,;17.86,-4.42,;19.4,-4.4,;20.73,-3.61,;22.07,-4.35,)| Show InChI InChI=1S/C26H33FN6O5/c1-26(24(34)28-12-14-36-3)15-37-23(38-16-26)22-32-20(17-5-7-18(27)8-6-17)21(33-22)19-9-11-30-25(31-19)29-10-4-13-35-2/h5-9,11,23H,4,10,12-16H2,1-3H3,(H,28,34)(H,32,33)(H,29,30,31)/t23-,26+ | PDB
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Aventis Pharma S.A.
Curated by ChEMBL
| Assay Description
Inhibition of murine Mitogen-activated protein kinase p38 |
J Med Chem 45: 2173-84 (2002)
Article DOI: 10.1021/jm011132l
BindingDB Entry DOI: 10.7270/Q2WW7MFK |
More data for this
Ligand-Target Pair | |
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