Found 29 hits of Enzyme Inhibition Constant Data 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 14
(Homo sapiens (Human)) | BDBM20657
(4-{[5-(methoxycarbamoyl)-2-methylphenyl]amino}-5-m...)Show SMILES CONC(=O)c1ccc(C)c(Nc2ncnn3cc(C(=O)N[C@@H](C)c4ccccc4)c(C)c23)c1 |r| Show InChI InChI=1S/C25H26N6O3/c1-15-10-11-19(24(32)30-34-4)12-21(15)29-23-22-16(2)20(13-31(22)27-14-26-23)25(33)28-17(3)18-8-6-5-7-9-18/h5-14,17H,1-4H3,(H,28,33)(H,30,32)(H,26,27,29)/t17-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| MMDB
PC cid
PC sid
PDB
UniChem
Similars
| MMDB
PDB
Article
PubMed
| n/a | n/a | 2.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of bacterially expressed p38alpha pretreated for 10 mins measured after 45 mins |
J Med Chem 53: 6629-39 (2010)
Article DOI: 10.1021/jm100540x
BindingDB Entry DOI: 10.7270/Q2JM29T1 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM20649
(N-ethyl-4-{[5-(methoxycarbamoyl)-2-methylphenyl]am...)Show SMILES CCNC(=O)c1cn2ncnc(Nc3cc(ccc3C)C(=O)NOC)c2c1C Show InChI InChI=1S/C19H22N6O3/c1-5-20-19(27)14-9-25-16(12(14)3)17(21-10-22-25)23-15-8-13(7-6-11(15)2)18(26)24-28-4/h6-10H,5H2,1-4H3,(H,20,27)(H,24,26)(H,21,22,23) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| DrugBank
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| DrugBank
MMDB
PDB
Article
PubMed
| n/a | n/a | 3.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of bacterially expressed p38alpha pretreated for 10 mins measured after 45 mins |
J Med Chem 53: 6629-39 (2010)
Article DOI: 10.1021/jm100540x
BindingDB Entry DOI: 10.7270/Q2JM29T1 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50327020
(4-(5-(Isoxazol-3-ylcarbamoyl)-2-methylphenylamino)...)Show SMILES CCCNC(=O)c1cn2ncnc(Nc3cc(ccc3C)C(=O)Nc3ccon3)c2c1C Show InChI InChI=1S/C22H23N7O3/c1-4-8-23-22(31)16-11-29-19(14(16)3)20(24-12-25-29)26-17-10-15(6-5-13(17)2)21(30)27-18-7-9-32-28-18/h5-7,9-12H,4,8H2,1-3H3,(H,23,31)(H,24,25,26)(H,27,28,30) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| MMDB
PDB
Article
PubMed
| n/a | n/a | 3.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of bacterially expressed p38alpha pretreated for 10 mins measured after 45 mins |
J Med Chem 53: 6629-39 (2010)
Article DOI: 10.1021/jm100540x
BindingDB Entry DOI: 10.7270/Q2JM29T1 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50327019
(CHEMBL1255004 | N-Ethyl-4-(5-(isoxazol-3-ylcarbamo...)Show SMILES CCNC(=O)c1cn2ncnc(Nc3cc(ccc3C)C(=O)Nc3ccon3)c2c1C Show InChI InChI=1S/C21H21N7O3/c1-4-22-21(30)15-10-28-18(13(15)3)19(23-11-24-28)25-16-9-14(6-5-12(16)2)20(29)26-17-7-8-31-27-17/h5-11H,4H2,1-3H3,(H,22,30)(H,23,24,25)(H,26,27,29) | 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 | 7.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of bacterially expressed p38alpha pretreated for 10 mins measured after 45 mins |
J Med Chem 53: 6629-39 (2010)
Article DOI: 10.1021/jm100540x
BindingDB Entry DOI: 10.7270/Q2JM29T1 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50327010
(CHEMBL1254583 | N-Butyl-4-(5-(cyclopropylcarbamoyl...)Show SMILES CCCCNC(=O)c1cn2ncnc(Nc3cc(ccc3C)C(=O)NC3CC3)c2c1C Show InChI InChI=1S/C23H28N6O2/c1-4-5-10-24-23(31)18-12-29-20(15(18)3)21(25-13-26-29)28-19-11-16(7-6-14(19)2)22(30)27-17-8-9-17/h6-7,11-13,17H,4-5,8-10H2,1-3H3,(H,24,31)(H,27,30)(H,25,26,28) | 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 | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of bacterially expressed p38alpha pretreated for 10 mins measured after 45 mins |
J Med Chem 53: 6629-39 (2010)
Article DOI: 10.1021/jm100540x
BindingDB Entry DOI: 10.7270/Q2JM29T1 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50327011
((S)-4-(5-(Cyclopropylcarbamoyl)-2-methylphenylamin...)Show SMILES C[C@H](NC(=O)c1cn2ncnc(Nc3cc(ccc3C)C(=O)NC3CC3)c2c1C)c1ccccc1 |r| Show InChI InChI=1S/C27H28N6O2/c1-16-9-10-20(26(34)31-21-11-12-21)13-23(16)32-25-24-17(2)22(14-33(24)29-15-28-25)27(35)30-18(3)19-7-5-4-6-8-19/h4-10,13-15,18,21H,11-12H2,1-3H3,(H,30,35)(H,31,34)(H,28,29,32)/t18-/m0/s1 | 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 | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of bacterially expressed p38alpha pretreated for 10 mins measured after 45 mins |
J Med Chem 53: 6629-39 (2010)
Article DOI: 10.1021/jm100540x
BindingDB Entry DOI: 10.7270/Q2JM29T1 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50327009
(4-(5-(Cyclopropylcarbamoyl)-2-methylphenylamino)-5...)Show SMILES CCCNC(=O)c1cn2ncnc(Nc3cc(ccc3C)C(=O)NC3CC3)c2c1C Show InChI InChI=1S/C22H26N6O2/c1-4-9-23-22(30)17-11-28-19(14(17)3)20(24-12-25-28)27-18-10-15(6-5-13(18)2)21(29)26-16-7-8-16/h5-6,10-12,16H,4,7-9H2,1-3H3,(H,23,30)(H,26,29)(H,24,25,27) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| MMDB
PDB
Article
PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of bacterially expressed p38alpha pretreated for 10 mins measured after 45 mins |
J Med Chem 53: 6629-39 (2010)
Article DOI: 10.1021/jm100540x
BindingDB Entry DOI: 10.7270/Q2JM29T1 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50327006
(4-(5-(Cyclopropylcarbamoyl)-2-methylphenylamino)-N...)Show SMILES CCNC(=O)c1cn2ncnc(Nc3cc(ccc3C)C(=O)NC3CC3)c2c1C Show InChI InChI=1S/C21H24N6O2/c1-4-22-21(29)16-10-27-18(13(16)3)19(23-11-24-27)26-17-9-14(6-5-12(17)2)20(28)25-15-7-8-15/h5-6,9-11,15H,4,7-8H2,1-3H3,(H,22,29)(H,25,28)(H,23,24,26) | 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 | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of bacterially expressed p38alpha pretreated for 10 mins measured after 45 mins |
J Med Chem 53: 6629-39 (2010)
Article DOI: 10.1021/jm100540x
BindingDB Entry DOI: 10.7270/Q2JM29T1 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50327008
(4-(5-(Cyclopropylcarbamoyl)-2-methylphenylamino)-N...)Show SMILES CNC(=O)c1cn2ncnc(Nc3cc(ccc3C)C(=O)NC3CC3)c2c1C Show InChI InChI=1S/C20H22N6O2/c1-11-4-5-13(19(27)24-14-6-7-14)8-16(11)25-18-17-12(2)15(20(28)21-3)9-26(17)23-10-22-18/h4-5,8-10,14H,6-7H2,1-3H3,(H,21,28)(H,24,27)(H,22,23,25) | 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 | 24 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of bacterially expressed p38alpha pretreated for 10 mins measured after 45 mins |
J Med Chem 53: 6629-39 (2010)
Article DOI: 10.1021/jm100540x
BindingDB Entry DOI: 10.7270/Q2JM29T1 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50327012
((S)-N-sec-Butyl-4-(5-(cyclopropylcarbamoyl)-2-meth...)Show SMILES CC[C@H](C)NC(=O)c1cn2ncnc(Nc3cc(ccc3C)C(=O)NC3CC3)c2c1C |r| Show InChI InChI=1S/C23H28N6O2/c1-5-14(3)26-23(31)18-11-29-20(15(18)4)21(24-12-25-29)28-19-10-16(7-6-13(19)2)22(30)27-17-8-9-17/h6-7,10-12,14,17H,5,8-9H2,1-4H3,(H,26,31)(H,27,30)(H,24,25,28)/t14-/m0/s1 | 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 | 27 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of bacterially expressed p38alpha pretreated for 10 mins measured after 45 mins |
J Med Chem 53: 6629-39 (2010)
Article DOI: 10.1021/jm100540x
BindingDB Entry DOI: 10.7270/Q2JM29T1 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50327013
(4-(5-(Cyclopropylcarbamoyl)-2-methylphenylamino)-N...)Show SMILES COCCNC(=O)c1cn2ncnc(Nc3cc(ccc3C)C(=O)NC3CC3)c2c1C Show InChI InChI=1S/C22H26N6O3/c1-13-4-5-15(21(29)26-16-6-7-16)10-18(13)27-20-19-14(2)17(11-28(19)25-12-24-20)22(30)23-8-9-31-3/h4-5,10-12,16H,6-9H2,1-3H3,(H,23,30)(H,26,29)(H,24,25,27) | 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 | 31 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of bacterially expressed p38alpha pretreated for 10 mins measured after 45 mins |
J Med Chem 53: 6629-39 (2010)
Article DOI: 10.1021/jm100540x
BindingDB Entry DOI: 10.7270/Q2JM29T1 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50327018
(CHEMBL1254917 | N-Ethyl-5-methyl-4-(2-methyl-5-(ox...)Show SMILES CCNC(=O)c1cn2ncnc(Nc3cc(ccc3C)C(=O)Nc3ncco3)c2c1C Show InChI InChI=1S/C21H21N7O3/c1-4-22-20(30)15-10-28-17(13(15)3)18(24-11-25-28)26-16-9-14(6-5-12(16)2)19(29)27-21-23-7-8-31-21/h5-11H,4H2,1-3H3,(H,22,30)(H,23,27,29)(H,24,25,26) | 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 | 35 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of bacterially expressed p38alpha pretreated for 10 mins measured after 45 mins |
J Med Chem 53: 6629-39 (2010)
Article DOI: 10.1021/jm100540x
BindingDB Entry DOI: 10.7270/Q2JM29T1 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50327014
((R)-4-(5-(Cyclopropylcarbamoyl)-2-methylphenylamin...)Show SMILES Cc1c(cn2ncnc(Nc3cc(ccc3C)C(=O)NC3CC3)c12)C(=O)N[C@@H](CO)c1ccccc1 |r| Show InChI InChI=1S/C27H28N6O3/c1-16-8-9-19(26(35)30-20-10-11-20)12-22(16)31-25-24-17(2)21(13-33(24)29-15-28-25)27(36)32-23(14-34)18-6-4-3-5-7-18/h3-9,12-13,15,20,23,34H,10-11,14H2,1-2H3,(H,30,35)(H,32,36)(H,28,29,31)/t23-/m0/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 | 41 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of bacterially expressed p38alpha pretreated for 10 mins measured after 45 mins |
J Med Chem 53: 6629-39 (2010)
Article DOI: 10.1021/jm100540x
BindingDB Entry DOI: 10.7270/Q2JM29T1 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50327015
((S)-5-Methyl-4-(2-methyl-5-(phenylcarbamoyl)phenyl...)Show SMILES C[C@H](NC(=O)c1cn2ncnc(Nc3cc(ccc3C)C(=O)Nc3ccccc3)c2c1C)c1ccccc1 |r| Show InChI InChI=1S/C30H28N6O2/c1-19-14-15-23(29(37)34-24-12-8-5-9-13-24)16-26(19)35-28-27-20(2)25(17-36(27)32-18-31-28)30(38)33-21(3)22-10-6-4-7-11-22/h4-18,21H,1-3H3,(H,33,38)(H,34,37)(H,31,32,35)/t21-/m0/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 | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of bacterially expressed p38alpha pretreated for 10 mins measured after 45 mins |
J Med Chem 53: 6629-39 (2010)
Article DOI: 10.1021/jm100540x
BindingDB Entry DOI: 10.7270/Q2JM29T1 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50327000
((S)-4-(5-(Ethylcarbamoyl)-2-methylphenylamino)-5-m...)Show SMILES CCNC(=O)c1ccc(C)c(Nc2ncnn3cc(C(=O)N[C@@H](C)c4ccccc4)c(C)c23)c1 |r| Show InChI InChI=1S/C26H28N6O2/c1-5-27-25(33)20-12-11-16(2)22(13-20)31-24-23-17(3)21(14-32(23)29-15-28-24)26(34)30-18(4)19-9-7-6-8-10-19/h6-15,18H,5H2,1-4H3,(H,27,33)(H,30,34)(H,28,29,31)/t18-/m0/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 | 65 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of bacterially expressed p38alpha pretreated for 10 mins measured after 45 mins |
J Med Chem 53: 6629-39 (2010)
Article DOI: 10.1021/jm100540x
BindingDB Entry DOI: 10.7270/Q2JM29T1 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50327016
(CHEMBL1254831 | N-Ethyl-5-methyl-4-(2-methyl-5-(th...)Show SMILES CCNC(=O)c1cn2ncnc(Nc3cc(ccc3C)C(=O)Nc3nccs3)c2c1C Show InChI InChI=1S/C21H21N7O2S/c1-4-22-20(30)15-10-28-17(13(15)3)18(24-11-25-28)26-16-9-14(6-5-12(16)2)19(29)27-21-23-7-8-31-21/h5-11H,4H2,1-3H3,(H,22,30)(H,23,27,29)(H,24,25,26) | 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 | 72 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of bacterially expressed p38alpha pretreated for 10 mins measured after 45 mins |
J Med Chem 53: 6629-39 (2010)
Article DOI: 10.1021/jm100540x
BindingDB Entry DOI: 10.7270/Q2JM29T1 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50326999
(CHEMBL1254181 | N-Ethyl-4-(5-(ethylcarbamoyl)-2-me...)Show SMILES CCNC(=O)c1cn2ncnc(Nc3cc(ccc3C)C(=O)NCC)c2c1C Show InChI InChI=1S/C20H24N6O2/c1-5-21-19(27)14-8-7-12(3)16(9-14)25-18-17-13(4)15(20(28)22-6-2)10-26(17)24-11-23-18/h7-11H,5-6H2,1-4H3,(H,21,27)(H,22,28)(H,23,24,25) | 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 | 110 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of bacterially expressed p38alpha pretreated for 10 mins measured after 45 mins |
J Med Chem 53: 6629-39 (2010)
Article DOI: 10.1021/jm100540x
BindingDB Entry DOI: 10.7270/Q2JM29T1 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50327002
(5-Methyl-4-(2-methyl-5-(propylcarbamoyl)phenylamin...)Show SMILES CCCNC(=O)c1cn2ncnc(Nc3cc(ccc3C)C(=O)NCCC)c2c1C Show InChI InChI=1S/C22H28N6O2/c1-5-9-23-21(29)16-8-7-14(3)18(11-16)27-20-19-15(4)17(22(30)24-10-6-2)12-28(19)26-13-25-20/h7-8,11-13H,5-6,9-10H2,1-4H3,(H,23,29)(H,24,30)(H,25,26,27) | 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 | 166 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of bacterially expressed p38alpha pretreated for 10 mins measured after 45 mins |
J Med Chem 53: 6629-39 (2010)
Article DOI: 10.1021/jm100540x
BindingDB Entry DOI: 10.7270/Q2JM29T1 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50327007
(4-(5-(Cyclobutylcarbamoyl)-2-methylphenylamino)-N-...)Show SMILES CCNC(=O)c1cn2ncnc(Nc3cc(ccc3C)C(=O)NC3CCC3)c2c1C Show InChI InChI=1S/C22H26N6O2/c1-4-23-22(30)17-11-28-19(14(17)3)20(24-12-25-28)27-18-10-15(9-8-13(18)2)21(29)26-16-6-5-7-16/h8-12,16H,4-7H2,1-3H3,(H,23,30)(H,26,29)(H,24,25,27) | 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 | 222 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of bacterially expressed p38alpha pretreated for 10 mins measured after 45 mins |
J Med Chem 53: 6629-39 (2010)
Article DOI: 10.1021/jm100540x
BindingDB Entry DOI: 10.7270/Q2JM29T1 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50327003
(CHEMBL1254348 | N-Ethyl-4-(5-(isopropylcarbamoyl)-...)Show SMILES CCNC(=O)c1cn2ncnc(Nc3cc(ccc3C)C(=O)NC(C)C)c2c1C Show InChI InChI=1S/C21H26N6O2/c1-6-22-21(29)16-10-27-18(14(16)5)19(23-11-24-27)26-17-9-15(8-7-13(17)4)20(28)25-12(2)3/h7-12H,6H2,1-5H3,(H,22,29)(H,25,28)(H,23,24,26) | 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 | 259 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of bacterially expressed p38alpha pretreated for 10 mins measured after 45 mins |
J Med Chem 53: 6629-39 (2010)
Article DOI: 10.1021/jm100540x
BindingDB Entry DOI: 10.7270/Q2JM29T1 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50327001
(CHEMBL1254087 | N-Ethyl-5-methyl-4-(2-methyl-5-(me...)Show SMILES CCNC(=O)c1cn2ncnc(Nc3cc(ccc3C)C(=O)NC)c2c1C Show InChI InChI=1S/C19H22N6O2/c1-5-21-19(27)14-9-25-16(12(14)3)17(22-10-23-25)24-15-8-13(18(26)20-4)7-6-11(15)2/h6-10H,5H2,1-4H3,(H,20,26)(H,21,27)(H,22,23,24) | 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 | 397 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of bacterially expressed p38alpha pretreated for 10 mins measured after 45 mins |
J Med Chem 53: 6629-39 (2010)
Article DOI: 10.1021/jm100540x
BindingDB Entry DOI: 10.7270/Q2JM29T1 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50327017
(CHEMBL1254916 | N-Ethyl-5-methyl-4-(2-methyl-5-(5-...)Show SMILES CCNC(=O)c1cn2ncnc(Nc3cc(ccc3C)C(=O)Nc3ncc(C)s3)c2c1C Show InChI InChI=1S/C22H23N7O2S/c1-5-23-21(31)16-10-29-18(14(16)4)19(25-11-26-29)27-17-8-15(7-6-12(17)2)20(30)28-22-24-9-13(3)32-22/h6-11H,5H2,1-4H3,(H,23,31)(H,24,28,30)(H,25,26,27) | 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 | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of bacterially expressed p38alpha pretreated for 10 mins measured after 45 mins |
J Med Chem 53: 6629-39 (2010)
Article DOI: 10.1021/jm100540x
BindingDB Entry DOI: 10.7270/Q2JM29T1 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50327004
(4-(5-(Butylcarbamoyl)-2-methylphenylamino)-N-ethyl...)Show SMILES CCCCNC(=O)c1ccc(C)c(Nc2ncnn3cc(C(=O)NCC)c(C)c23)c1 Show InChI InChI=1S/C22H28N6O2/c1-5-7-10-24-21(29)16-9-8-14(3)18(11-16)27-20-19-15(4)17(22(30)23-6-2)12-28(19)26-13-25-20/h8-9,11-13H,5-7,10H2,1-4H3,(H,23,30)(H,24,29)(H,25,26,27) | 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 | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of bacterially expressed p38alpha pretreated for 10 mins measured after 45 mins |
J Med Chem 53: 6629-39 (2010)
Article DOI: 10.1021/jm100540x
BindingDB Entry DOI: 10.7270/Q2JM29T1 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50327005
(CHEMBL1254427 | N-Ethyl-4-(5-(2-methoxyethylcarbam...)Show SMILES CCNC(=O)c1cn2ncnc(Nc3cc(ccc3C)C(=O)NCCOC)c2c1C Show InChI InChI=1S/C21H26N6O3/c1-5-22-21(29)16-11-27-18(14(16)3)19(24-12-25-27)26-17-10-15(7-6-13(17)2)20(28)23-8-9-30-4/h6-7,10-12H,5,8-9H2,1-4H3,(H,22,29)(H,23,28)(H,24,25,26) | 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 | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of bacterially expressed p38alpha pretreated for 10 mins measured after 45 mins |
J Med Chem 53: 6629-39 (2010)
Article DOI: 10.1021/jm100540x
BindingDB Entry DOI: 10.7270/Q2JM29T1 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50327009
(4-(5-(Cyclopropylcarbamoyl)-2-methylphenylamino)-5...)Show SMILES CCCNC(=O)c1cn2ncnc(Nc3cc(ccc3C)C(=O)NC3CC3)c2c1C Show InChI InChI=1S/C22H26N6O2/c1-4-9-23-22(30)17-11-28-19(14(17)3)20(24-12-25-28)27-18-10-15(6-5-13(18)2)21(29)26-16-7-8-16/h5-6,10-12,16H,4,7-9H2,1-3H3,(H,23,30)(H,26,29)(H,24,25,27) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.80E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 |
J Med Chem 53: 6629-39 (2010)
Article DOI: 10.1021/jm100540x
BindingDB Entry DOI: 10.7270/Q2JM29T1 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50327009
(4-(5-(Cyclopropylcarbamoyl)-2-methylphenylamino)-5...)Show SMILES CCCNC(=O)c1cn2ncnc(Nc3cc(ccc3C)C(=O)NC3CC3)c2c1C Show InChI InChI=1S/C22H26N6O2/c1-4-9-23-22(30)17-11-28-19(14(17)3)20(24-12-25-28)27-18-10-15(6-5-13(18)2)21(29)26-16-7-8-16/h5-6,10-12,16H,4,7-9H2,1-3H3,(H,23,30)(H,26,29)(H,24,25,27) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >4.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of CYP1A2 |
J Med Chem 53: 6629-39 (2010)
Article DOI: 10.1021/jm100540x
BindingDB Entry DOI: 10.7270/Q2JM29T1 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50327009
(4-(5-(Cyclopropylcarbamoyl)-2-methylphenylamino)-5...)Show SMILES CCCNC(=O)c1cn2ncnc(Nc3cc(ccc3C)C(=O)NC3CC3)c2c1C Show InChI InChI=1S/C22H26N6O2/c1-4-9-23-22(30)17-11-28-19(14(17)3)20(24-12-25-28)27-18-10-15(6-5-13(18)2)21(29)26-16-7-8-16/h5-6,10-12,16H,4,7-9H2,1-3H3,(H,23,30)(H,26,29)(H,24,25,27) | PDB
UniProtKB/SwissProt
GoogleScholar
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| Purchase
CHEMBL
MCE
MMDB
PC cid
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UniChem
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Similars
| Article
PubMed
| n/a | n/a | >4.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 |
J Med Chem 53: 6629-39 (2010)
Article DOI: 10.1021/jm100540x
BindingDB Entry DOI: 10.7270/Q2JM29T1 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50327009
(4-(5-(Cyclopropylcarbamoyl)-2-methylphenylamino)-5...)Show SMILES CCCNC(=O)c1cn2ncnc(Nc3cc(ccc3C)C(=O)NC3CC3)c2c1C Show InChI InChI=1S/C22H26N6O2/c1-4-9-23-22(30)17-11-28-19(14(17)3)20(24-12-25-28)27-18-10-15(6-5-13(18)2)21(29)26-16-7-8-16/h5-6,10-12,16H,4,7-9H2,1-3H3,(H,23,30)(H,26,29)(H,24,25,27) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >4.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C9 |
J Med Chem 53: 6629-39 (2010)
Article DOI: 10.1021/jm100540x
BindingDB Entry DOI: 10.7270/Q2JM29T1 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50327009
(4-(5-(Cyclopropylcarbamoyl)-2-methylphenylamino)-5...)Show SMILES CCCNC(=O)c1cn2ncnc(Nc3cc(ccc3C)C(=O)NC3CC3)c2c1C Show InChI InChI=1S/C22H26N6O2/c1-4-9-23-22(30)17-11-28-19(14(17)3)20(24-12-25-28)27-18-10-15(6-5-13(18)2)21(29)26-16-7-8-16/h5-6,10-12,16H,4,7-9H2,1-3H3,(H,23,30)(H,26,29)(H,24,25,27) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >4.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C19 |
J Med Chem 53: 6629-39 (2010)
Article DOI: 10.1021/jm100540x
BindingDB Entry DOI: 10.7270/Q2JM29T1 |
More data for this
Ligand-Target Pair | |
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