Found 733 hits with Last Name = 'schultz' and Initial = 'r' 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 |
Dihydrofolate reductase
(Homo sapiens (Human)) | BDBM50288820
((S)-2-{(S)-4-[4-(2,4-Diamino-pyrimidin-5-yl)-butyl...)Show SMILES Nc1ncc(CCCCc2ccc(cc2)C(=O)N[C@@H](CCC(O)=O)C(O)=O)c(N)n1 Show InChI InChI=1S/C20H25N5O5/c21-17-14(11-23-20(22)25-17)4-2-1-3-12-5-7-13(8-6-12)18(28)24-15(19(29)30)9-10-16(26)27/h5-8,11,15H,1-4,9-10H2,(H,24,28)(H,26,27)(H,29,30)(H4,21,22,23,25) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article
| 0.00500 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Binding affinity of the compound against Recombinant human dihydrofolate reductase (DHFR) |
Bioorg Med Chem Lett 6: 473-476 (1996)
Article DOI: 10.1016/0960-894X(96)00053-4 BindingDB Entry DOI: 10.7270/Q2GQ6XQ2 |
More data for this Ligand-Target Pair | |
Dihydrofolate reductase
(Homo sapiens (Human)) | BDBM50288821
((S)-2-{(S)-4-[3-(2,4-Diamino-pyrimidin-5-yl)-propy...)Show SMILES Nc1ncc(CCCc2ccc(cc2)C(=O)N[C@@H](CCC(O)=O)C(O)=O)c(N)n1 Show InChI InChI=1S/C19H23N5O5/c20-16-13(10-22-19(21)24-16)3-1-2-11-4-6-12(7-5-11)17(27)23-14(18(28)29)8-9-15(25)26/h4-7,10,14H,1-3,8-9H2,(H,23,27)(H,25,26)(H,28,29)(H4,20,21,22,24) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article
| 0.120 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Binding affinity of the compound against Recombinant human dihydrofolate reductase (DHFR) |
Bioorg Med Chem Lett 6: 473-476 (1996)
Article DOI: 10.1016/0960-894X(96)00053-4 BindingDB Entry DOI: 10.7270/Q2GQ6XQ2 |
More data for this Ligand-Target Pair | |
Dihydrofolate reductase
(Homo sapiens (Human)) | BDBM50073754
((R)-2-{4-[2-(2,4-Diamino-5,6,7,8-tetrahydro-pyrido...)Show SMILES C[C@](CCC(O)=O)(NC(=O)c1ccc(CCC2CNc3nc(N)nc(N)c3C2)cc1)C(O)=O Show InChI InChI=1S/C22H28N6O5/c1-22(20(32)33,9-8-16(29)30)28-19(31)14-6-4-12(5-7-14)2-3-13-10-15-17(23)26-21(24)27-18(15)25-11-13/h4-7,13H,2-3,8-11H2,1H3,(H,28,31)(H,29,30)(H,32,33)(H5,23,24,25,26,27)/t13?,22-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 0.290 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description Inhibitory activity against recombinant human dihydrofolate reductase (DHFR) |
Bioorg Med Chem Lett 9: 75-8 (1999)
BindingDB Entry DOI: 10.7270/Q2SX6CCT |
More data for this Ligand-Target Pair | |
Dihydrofolate reductase
(Homo sapiens (Human)) | BDBM50073752
((R)-2-({5-[2-(2,4-Diamino-5,6,7,8-tetrahydro-pyrid...)Show SMILES C[C@](CCC(O)=O)(NC(=O)c1ccc(CCC2CNc3nc(N)nc(N)c3C2)s1)C(O)=O Show InChI InChI=1S/C20H26N6O5S/c1-20(18(30)31,7-6-14(27)28)26-17(29)13-5-4-11(32-13)3-2-10-8-12-15(21)24-19(22)25-16(12)23-9-10/h4-5,10H,2-3,6-9H2,1H3,(H,26,29)(H,27,28)(H,30,31)(H5,21,22,23,24,25)/t10?,20-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 0.690 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description Inhibitory activity against recombinant human dihydrofolate reductase (DHFR) |
Bioorg Med Chem Lett 9: 75-8 (1999)
BindingDB Entry DOI: 10.7270/Q2SX6CCT |
More data for this Ligand-Target Pair | |
Dihydrofolate reductase
(Homo sapiens (Human)) | BDBM50073753
((R)-2-({5-[2-(2,4-Diamino-5,6,7,8-tetrahydro-pyrid...)Show SMILES C[C@](CCC(O)=O)(NC(=O)c1ccc(CCC2CNc3nc(N)nc(N)c3C2)o1)C(O)=O Show InChI InChI=1S/C20H26N6O6/c1-20(18(30)31,7-6-14(27)28)26-17(29)13-5-4-11(32-13)3-2-10-8-12-15(21)24-19(22)25-16(12)23-9-10/h4-5,10H,2-3,6-9H2,1H3,(H,26,29)(H,27,28)(H,30,31)(H5,21,22,23,24,25)/t10?,20-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 9.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description Inhibitory activity against recombinant human dihydrofolate reductase (DHFR) |
Bioorg Med Chem Lett 9: 75-8 (1999)
BindingDB Entry DOI: 10.7270/Q2SX6CCT |
More data for this Ligand-Target Pair | |
Trifunctional purine biosynthetic protein adenosine-3
(Mus musculus) | BDBM50073753
((R)-2-({5-[2-(2,4-Diamino-5,6,7,8-tetrahydro-pyrid...)Show SMILES C[C@](CCC(O)=O)(NC(=O)c1ccc(CCC2CNc3nc(N)nc(N)c3C2)o1)C(O)=O Show InChI InChI=1S/C20H26N6O6/c1-20(18(30)31,7-6-14(27)28)26-17(29)13-5-4-11(32-13)3-2-10-8-12-15(21)24-19(22)25-16(12)23-9-10/h4-5,10H,2-3,6-9H2,1H3,(H,26,29)(H,27,28)(H,30,31)(H5,21,22,23,24,25)/t10?,20-/m1/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 710 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description Inhibitory activity against murine glycinamide ribonucleotide formyltransferase (GARFT) enzyme |
Bioorg Med Chem Lett 9: 75-8 (1999)
BindingDB Entry DOI: 10.7270/Q2SX6CCT |
More data for this Ligand-Target Pair | |
Cyclin-A2 [171-432]/Cyclin-dependent kinase 2
(Homo sapiens (Human)) | BDBM5566
(2,6-Diamino-4-cyclohexylmethoxy-5-nitrosopyrimidin...)Show InChI InChI=1S/C11H17N5O2/c12-9-8(16-17)10(15-11(13)14-9)18-6-7-4-2-1-3-5-7/h7H,1-6H2,(H4,12,13,14,15) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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| Purchase
DrugBank MCE MMDB PC cid PC sid PDB UniChem
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| MMDB PDB Article PubMed
| 1.30E+3 | -34.2 | n/a | n/a | n/a | n/a | n/a | 7.5 | 30 |
University of Newcastle
| Assay Description The enzyme was assayed with substrate histone H1 in the presence of 12.5 uM ATP/[gamma-32P] ATP. IC50 is the inhibitor concentration, which inhibits ... |
J Med Chem 43: 2797-804 (2000)
Article DOI: 10.1021/jm990628o BindingDB Entry DOI: 10.7270/Q20R9MKP |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Cyclin-dependent kinase 1/G2/mitotic-specific cyclin-B
(Marthasterias glacialis (starfish)) | BDBM5566
(2,6-Diamino-4-cyclohexylmethoxy-5-nitrosopyrimidin...)Show InChI InChI=1S/C11H17N5O2/c12-9-8(16-17)10(15-11(13)14-9)18-6-7-4-2-1-3-5-7/h7H,1-6H2,(H4,12,13,14,15) | PDB
UniProtKB/SwissProt
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| Article PubMed
| 2.50E+3 | -32.5 | n/a | n/a | n/a | n/a | n/a | 7.5 | 30 |
University of Newcastle
| Assay Description The enzyme was assayed with substrate histone H1 in the presence of 12.5 uM ATP/[gamma-32P] ATP. IC50 is the inhibitor concentration, which inhibits ... |
J Med Chem 43: 2797-804 (2000)
Article DOI: 10.1021/jm990628o BindingDB Entry DOI: 10.7270/Q20R9MKP |
More data for this Ligand-Target Pair | |
Thymidylate synthase
(Homo sapiens (Human)) | BDBM50288820
((S)-2-{(S)-4-[4-(2,4-Diamino-pyrimidin-5-yl)-butyl...)Show SMILES Nc1ncc(CCCCc2ccc(cc2)C(=O)N[C@@H](CCC(O)=O)C(O)=O)c(N)n1 Show InChI InChI=1S/C20H25N5O5/c21-17-14(11-23-20(22)25-17)4-2-1-3-12-5-7-13(8-6-12)18(28)24-15(19(29)30)9-10-16(26)27/h5-8,11,15H,1-4,9-10H2,(H,24,28)(H,26,27)(H,29,30)(H4,21,22,23,25) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article
| >5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Binding affinity of the compound against Recombinant human thymidylate synthase (TS). |
Bioorg Med Chem Lett 6: 473-476 (1996)
Article DOI: 10.1016/0960-894X(96)00053-4 BindingDB Entry DOI: 10.7270/Q2GQ6XQ2 |
More data for this Ligand-Target Pair | |
Thymidylate synthase
(Homo sapiens (Human)) | BDBM50073753
((R)-2-({5-[2-(2,4-Diamino-5,6,7,8-tetrahydro-pyrid...)Show SMILES C[C@](CCC(O)=O)(NC(=O)c1ccc(CCC2CNc3nc(N)nc(N)c3C2)o1)C(O)=O Show InChI InChI=1S/C20H26N6O6/c1-20(18(30)31,7-6-14(27)28)26-17(29)13-5-4-11(32-13)3-2-10-8-12-15(21)24-19(22)25-16(12)23-9-10/h4-5,10H,2-3,6-9H2,1H3,(H,26,29)(H,27,28)(H,30,31)(H5,21,22,23,24,25)/t10?,20-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| >5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description Inhibitory activity against recombinant human Thymidylate synthase enzyme |
Bioorg Med Chem Lett 9: 75-8 (1999)
BindingDB Entry DOI: 10.7270/Q2SX6CCT |
More data for this Ligand-Target Pair | |
Thymidylate synthase
(Homo sapiens (Human)) | BDBM50073754
((R)-2-{4-[2-(2,4-Diamino-5,6,7,8-tetrahydro-pyrido...)Show SMILES C[C@](CCC(O)=O)(NC(=O)c1ccc(CCC2CNc3nc(N)nc(N)c3C2)cc1)C(O)=O Show InChI InChI=1S/C22H28N6O5/c1-22(20(32)33,9-8-16(29)30)28-19(31)14-6-4-12(5-7-14)2-3-13-10-15-17(23)26-21(24)27-18(15)25-11-13/h4-7,13H,2-3,8-11H2,1H3,(H,28,31)(H,29,30)(H,32,33)(H5,23,24,25,26,27)/t13?,22-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| >5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description Inhibitory activity against recombinant human Thymidylate synthase |
Bioorg Med Chem Lett 9: 75-8 (1999)
BindingDB Entry DOI: 10.7270/Q2SX6CCT |
More data for this Ligand-Target Pair | |
Thymidylate synthase
(Homo sapiens (Human)) | BDBM50073752
((R)-2-({5-[2-(2,4-Diamino-5,6,7,8-tetrahydro-pyrid...)Show SMILES C[C@](CCC(O)=O)(NC(=O)c1ccc(CCC2CNc3nc(N)nc(N)c3C2)s1)C(O)=O Show InChI InChI=1S/C20H26N6O5S/c1-20(18(30)31,7-6-14(27)28)26-17(29)13-5-4-11(32-13)3-2-10-8-12-15(21)24-19(22)25-16(12)23-9-10/h4-5,10H,2-3,6-9H2,1H3,(H,26,29)(H,27,28)(H,30,31)(H5,21,22,23,24,25)/t10?,20-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| >5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description Inhibitory activity against recombinant human Thymidylate synthase enzyme |
Bioorg Med Chem Lett 9: 75-8 (1999)
BindingDB Entry DOI: 10.7270/Q2SX6CCT |
More data for this Ligand-Target Pair | |
Thymidylate synthase
(Homo sapiens (Human)) | BDBM50288821
((S)-2-{(S)-4-[3-(2,4-Diamino-pyrimidin-5-yl)-propy...)Show SMILES Nc1ncc(CCCc2ccc(cc2)C(=O)N[C@@H](CCC(O)=O)C(O)=O)c(N)n1 Show InChI InChI=1S/C19H23N5O5/c20-16-13(10-22-19(21)24-16)3-1-2-11-4-6-12(7-5-11)17(27)23-14(18(28)29)8-9-15(25)26/h4-7,10,14H,1-3,8-9H2,(H,23,27)(H,25,26)(H,28,29)(H4,20,21,22,24) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article
| >5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Binding affinity of the compound against Recombinant human thymidylate synthase (TS) |
Bioorg Med Chem Lett 6: 473-476 (1996)
Article DOI: 10.1016/0960-894X(96)00053-4 BindingDB Entry DOI: 10.7270/Q2GQ6XQ2 |
More data for this Ligand-Target Pair | |
Cyclin-dependent kinase 1/G2/mitotic-specific cyclin-B
(Marthasterias glacialis (starfish)) | BDBM5485
(6-(cyclohexylmethoxy)-9H-purin-2-amine | CHEMBL269...)Show InChI InChI=1S/C12H17N5O/c13-12-16-10-9(14-7-15-10)11(17-12)18-6-8-4-2-1-3-5-8/h7-8H,1-6H2,(H3,13,14,15,16,17) | PDB
UniProtKB/SwissProt
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CHEMBL MCE MMDB PC cid PC sid PDB UniChem
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| Article PubMed
| 5.00E+3 | -30.8 | n/a | n/a | n/a | n/a | n/a | 7.5 | 30 |
University of Newcastle
| Assay Description The enzyme was assayed with substrate histone H1 in the presence of 12.5 uM ATP/[gamma-32P] ATP. IC50 is the inhibitor concentration, which inhibits ... |
J Med Chem 43: 2797-804 (2000)
Article DOI: 10.1021/jm990628o BindingDB Entry DOI: 10.7270/Q20R9MKP |
More data for this Ligand-Target Pair | |
Trifunctional purine biosynthetic protein adenosine-3
(Mus musculus) | BDBM50073752
((R)-2-({5-[2-(2,4-Diamino-5,6,7,8-tetrahydro-pyrid...)Show SMILES C[C@](CCC(O)=O)(NC(=O)c1ccc(CCC2CNc3nc(N)nc(N)c3C2)s1)C(O)=O Show InChI InChI=1S/C20H26N6O5S/c1-20(18(30)31,7-6-14(27)28)26-17(29)13-5-4-11(32-13)3-2-10-8-12-15(21)24-19(22)25-16(12)23-9-10/h4-5,10H,2-3,6-9H2,1H3,(H,26,29)(H,27,28)(H,30,31)(H5,21,22,23,24,25)/t10?,20-/m1/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 9.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description Inhibitory activity against murine glycinamide ribonucleotide formyltransferase (GARFT) enzyme |
Bioorg Med Chem Lett 9: 75-8 (1999)
BindingDB Entry DOI: 10.7270/Q2SX6CCT |
More data for this Ligand-Target Pair | |
Cyclin-A2 [171-432]/Cyclin-dependent kinase 2
(Homo sapiens (Human)) | BDBM5485
(6-(cyclohexylmethoxy)-9H-purin-2-amine | CHEMBL269...)Show InChI InChI=1S/C12H17N5O/c13-12-16-10-9(14-7-15-10)11(17-12)18-6-8-4-2-1-3-5-8/h7-8H,1-6H2,(H3,13,14,15,16,17) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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CHEMBL MCE MMDB PC cid PC sid PDB UniChem
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| MMDB PDB Article PubMed
| 1.20E+4 | -28.6 | n/a | n/a | n/a | n/a | n/a | 7.5 | 30 |
University of Newcastle
| Assay Description The enzyme was assayed with substrate histone H1 in the presence of 12.5 uM ATP/[gamma-32P] ATP. IC50 is the inhibitor concentration, which inhibits ... |
J Med Chem 43: 2797-804 (2000)
Article DOI: 10.1021/jm990628o BindingDB Entry DOI: 10.7270/Q20R9MKP |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Trifunctional purine biosynthetic protein adenosine-3
(Mus musculus) | BDBM50073754
((R)-2-{4-[2-(2,4-Diamino-5,6,7,8-tetrahydro-pyrido...)Show SMILES C[C@](CCC(O)=O)(NC(=O)c1ccc(CCC2CNc3nc(N)nc(N)c3C2)cc1)C(O)=O Show InChI InChI=1S/C22H28N6O5/c1-22(20(32)33,9-8-16(29)30)28-19(31)14-6-4-12(5-7-14)2-3-13-10-15-17(23)26-21(24)27-18(15)25-11-13/h4-7,13H,2-3,8-11H2,1H3,(H,28,31)(H,29,30)(H,32,33)(H5,23,24,25,26,27)/t13?,22-/m1/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 5.60E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description Inhibitory activity against murine glycinamide ribonucleotide formyltransferase (GARFT) enzyme |
Bioorg Med Chem Lett 9: 75-8 (1999)
BindingDB Entry DOI: 10.7270/Q2SX6CCT |
More data for this Ligand-Target Pair | |
Calcium/calmodulin-dependent protein kinase type II subunit alpha/beta/delta/gamma
(Homo sapiens (Human)) | BDBM2579
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet
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CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Spain S.A.
Curated by ChEMBL
| Assay Description Inhibitory activity against Cyclin D1-cyclin-dependent kinase 4 by measuring the phosphorylation of RbING |
Bioorg Med Chem Lett 13: 3835-9 (2003)
BindingDB Entry DOI: 10.7270/Q2Z89BTC |
More data for this Ligand-Target Pair | |
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1
(Homo sapiens (Human)) | BDBM6745
(1,7-Annulated indolocarbazole deriv. 13Ab | 7-fluo...)Show SMILES OCC1CCc2cccc3c4c5C(=O)NC(=O)c5c5c6ccc(F)cc6[nH]c5c4n1c23 Show InChI InChI=1S/C24H16FN3O3/c25-11-5-7-13-15(8-11)26-20-16(13)18-19(24(31)27-23(18)30)17-14-3-1-2-10-4-6-12(9-29)28(21(10)14)22(17)20/h1-3,5,7-8,12,26,29H,4,6,9H2,(H,27,30,31) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | 7.0 | 22 |
Lilly Research Laboratories
| Assay Description In vitro CDK assay using purified enzyme, was incubated at room temperature with substrate, and test compounds in the presence of ATP/[gamma-33P]ATP.... |
Bioorg Med Chem Lett 14: 3057-61 (2004)
Article DOI: 10.1016/j.bmcl.2004.04.033 BindingDB Entry DOI: 10.7270/Q2KD1W3H |
More data for this Ligand-Target Pair | |
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1
(Homo sapiens (Human)) | BDBM6811
(18,23-dimethyl-3,13,18-triazahexacyclo[14.7.0.0^{2...)Show SMILES Cc1cc2ccn(C)c2c2c3C(=O)NC(=O)c3c3c4ccccc4[nH]c3c12 Show InChI InChI=1S/C22H15N3O2/c1-10-9-11-7-8-25(2)20(11)16-14(10)19-15(12-5-3-4-6-13(12)23-19)17-18(16)22(27)24-21(17)26/h3-9,23H,1-2H3,(H,24,26,27) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | 25 |
Lilly Research Laboratories
| Assay Description In vitro CDK assay using purified enzyme, was incubated at room temperature with substrate, and test compounds in the presence of ATP/[gamma-33P]ATP.... |
Bioorg Med Chem Lett 13: 2261-7 (2003)
Article DOI: 10.1016/s0960-894x(03)00461-x BindingDB Entry DOI: 10.7270/Q29W0CPW |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50373946
(CHEMBL270657)Show SMILES CC(C)(C)Cn1cnc2ccc(nc12)-c1nc([nH]c1-c1ccc(F)cc1F)C(C)(C)C Show InChI InChI=1S/C24H27F2N5/c1-23(2,3)12-31-13-27-18-10-9-17(28-21(18)31)20-19(29-22(30-20)24(4,5)6)15-8-7-14(25)11-16(15)26/h7-11,13H,12H2,1-6H3,(H,29,30) | 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 | 2.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Eli Lilly and Co.
Curated by ChEMBL
| Assay Description Inhibition of human recombinant p38alpha |
Bioorg Med Chem Lett 18: 179-83 (2008)
Article DOI: 10.1016/j.bmcl.2007.10.106 BindingDB Entry DOI: 10.7270/Q2R78G31 |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50373967
(CHEMBL442972)Show SMILES CC(C)Cn1c(N)nc2ccc(nc12)-c1nc([nH]c1-c1ccccc1)-c1c(F)cccc1F Show InChI InChI=1S/C25H22F2N6/c1-14(2)13-33-24-19(30-25(33)28)12-11-18(29-24)22-21(15-7-4-3-5-8-15)31-23(32-22)20-16(26)9-6-10-17(20)27/h3-12,14H,13H2,1-2H3,(H2,28,30)(H,31,32) | 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 | 2.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Eli Lilly and Co.
Curated by ChEMBL
| Assay Description Inhibition of human recombinant p38alpha |
Bioorg Med Chem Lett 18: 179-83 (2008)
Article DOI: 10.1016/j.bmcl.2007.10.106 BindingDB Entry DOI: 10.7270/Q2R78G31 |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50164242
(6-(5-Phenyl-2-piperidin-4-yl-3H-imidazol-4-yl)-1-(...)Show SMILES CC(C)S(=O)(=O)n1c(N)nc2ccc(cc12)-c1nc([nH]c1-c1ccccc1)C1CCNCC1 Show InChI InChI=1S/C24H28N6O2S/c1-15(2)33(31,32)30-20-14-18(8-9-19(20)27-24(30)25)22-21(16-6-4-3-5-7-16)28-23(29-22)17-10-12-26-13-11-17/h3-9,14-15,17,26H,10-13H2,1-2H3,(H2,25,27)(H,28,29) | 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 | 2.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Eli Lilly and Co.
Curated by ChEMBL
| Assay Description Inhibition of human recombinant Mitogen activated protein kinase p38 alpha activity using ATP[gamma-33P] and EGFR 21mer-peptide |
J Med Chem 48: 2270-3 (2005)
Article DOI: 10.1021/jm048978k BindingDB Entry DOI: 10.7270/Q2M90869 |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50373950
(CHEMBL409698)Show SMILES CC(C)(C)Cn1cnc2ccc(nc12)-c1nc([nH]c1-c1ccccc1)-c1c(F)cccc1Cl Show InChI InChI=1S/C26H23ClFN5/c1-26(2,3)14-33-15-29-20-13-12-19(30-25(20)33)23-22(16-8-5-4-6-9-16)31-24(32-23)21-17(27)10-7-11-18(21)28/h4-13,15H,14H2,1-3H3,(H,31,32) | 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 | 3.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Eli Lilly and Co.
Curated by ChEMBL
| Assay Description Inhibition of human recombinant p38alpha |
Bioorg Med Chem Lett 18: 179-83 (2008)
Article DOI: 10.1016/j.bmcl.2007.10.106 BindingDB Entry DOI: 10.7270/Q2R78G31 |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50373968
(CHEMBL272108)Show SMILES CC(C)S(=O)(=O)n1c(N)nc2ccc(nc12)-c1nc([nH]c1-c1ccccc1)-c1c(F)cccc1F Show InChI InChI=1S/C24H20F2N6O2S/c1-13(2)35(33,34)32-23-18(29-24(32)27)12-11-17(28-23)21-20(14-7-4-3-5-8-14)30-22(31-21)19-15(25)9-6-10-16(19)26/h3-13H,1-2H3,(H2,27,29)(H,30,31) | 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 | 3.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Eli Lilly and Co.
Curated by ChEMBL
| Assay Description Inhibition of human recombinant p38alpha |
Bioorg Med Chem Lett 18: 179-83 (2008)
Article DOI: 10.1016/j.bmcl.2007.10.106 BindingDB Entry DOI: 10.7270/Q2R78G31 |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50373947
(CHEMBL274201)Show SMILES CC(C)(C)Cn1cnc2ccc(nc12)-c1nc([nH]c1-c1ccc(F)cc1)-c1c(Cl)cccc1Cl Show InChI InChI=1S/C26H22Cl2FN5/c1-26(2,3)13-34-14-30-20-12-11-19(31-25(20)34)23-22(15-7-9-16(29)10-8-15)32-24(33-23)21-17(27)5-4-6-18(21)28/h4-12,14H,13H2,1-3H3,(H,32,33) | 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 | 3.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Eli Lilly and Co.
Curated by ChEMBL
| Assay Description Inhibition of human recombinant p38alpha |
Bioorg Med Chem Lett 18: 179-83 (2008)
Article DOI: 10.1016/j.bmcl.2007.10.106 BindingDB Entry DOI: 10.7270/Q2R78G31 |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50373954
(CHEMBL429422)Show SMILES CC(C)Cn1cnc2ccc(nc12)-c1nc([nH]c1-c1ccccc1)-c1c(Cl)cccc1Cl Show InChI InChI=1S/C25H21Cl2N5/c1-15(2)13-32-14-28-20-12-11-19(29-25(20)32)23-22(16-7-4-3-5-8-16)30-24(31-23)21-17(26)9-6-10-18(21)27/h3-12,14-15H,13H2,1-2H3,(H,30,31) | 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 | 3.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Eli Lilly and Co.
Curated by ChEMBL
| Assay Description Inhibition of human recombinant p38alpha |
Bioorg Med Chem Lett 18: 179-83 (2008)
Article DOI: 10.1016/j.bmcl.2007.10.106 BindingDB Entry DOI: 10.7270/Q2R78G31 |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50373952
(CHEMBL272731)Show SMILES CC(C)Cn1cnc2ccc(nc12)-c1nc([nH]c1-c1ccc(F)cc1F)-c1c(Cl)cccc1Cl Show InChI InChI=1S/C25H19Cl2F2N5/c1-13(2)11-34-12-30-20-9-8-19(31-25(20)34)23-22(15-7-6-14(28)10-18(15)29)32-24(33-23)21-16(26)4-3-5-17(21)27/h3-10,12-13H,11H2,1-2H3,(H,32,33) | 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 | 3.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Eli Lilly and Co.
Curated by ChEMBL
| Assay Description Inhibition of human recombinant p38alpha |
Bioorg Med Chem Lett 18: 179-83 (2008)
Article DOI: 10.1016/j.bmcl.2007.10.106 BindingDB Entry DOI: 10.7270/Q2R78G31 |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50373951
(CHEMBL271505)Show SMILES CC(C)Cn1cnc2ccc(nc12)-c1nc([nH]c1-c1ccc(F)cc1F)C(C)(C)C Show InChI InChI=1S/C23H25F2N5/c1-13(2)11-30-12-26-18-9-8-17(27-21(18)30)20-19(28-22(29-20)23(3,4)5)15-7-6-14(24)10-16(15)25/h6-10,12-13H,11H2,1-5H3,(H,28,29) | 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 | 3.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Eli Lilly and Co.
Curated by ChEMBL
| Assay Description Inhibition of human recombinant p38alpha |
Bioorg Med Chem Lett 18: 179-83 (2008)
Article DOI: 10.1016/j.bmcl.2007.10.106 BindingDB Entry DOI: 10.7270/Q2R78G31 |
More data for this Ligand-Target Pair | |
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1
(Homo sapiens (Human)) | BDBM6832
(3-[3-(4-hydroxypiperidin-1-yl)propyl]-6-methoxy-18...)Show SMILES COc1ccc2c(c1)n(CCCN1CCC(O)CC1)c1c2c2C(=O)NC(=O)c2c2c3n(C)ccc3ccc12 Show InChI InChI=1S/C30H30N4O4/c1-32-13-8-17-4-6-21-24(27(17)32)26-25(29(36)31-30(26)37)23-20-7-5-19(38-2)16-22(20)34(28(21)23)12-3-11-33-14-9-18(35)10-15-33/h4-8,13,16,18,35H,3,9-12,14-15H2,1-2H3,(H,31,36,37) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | 25 |
Lilly Research Laboratories
| Assay Description In vitro CDK assay using purified enzyme, was incubated at room temperature with substrate, and test compounds in the presence of ATP/[gamma-33P]ATP.... |
Bioorg Med Chem Lett 13: 2261-7 (2003)
Article DOI: 10.1016/s0960-894x(03)00461-x BindingDB Entry DOI: 10.7270/Q29W0CPW |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50164228
(1-(isopropylsulfonyl)-6-(4-phenyl-1H-imidazol-5-yl...)Show SMILES CC(C)S(=O)(=O)n1c(N)nc2ccc(cc12)-c1[nH]cnc1-c1ccccc1 Show InChI InChI=1S/C19H19N5O2S/c1-12(2)27(25,26)24-16-10-14(8-9-15(16)23-19(24)20)18-17(21-11-22-18)13-6-4-3-5-7-13/h3-12H,1-2H3,(H2,20,23)(H,21,22) | 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 | 4.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Eli Lilly and Co.
Curated by ChEMBL
| Assay Description Inhibition of human recombinant Mitogen activated protein kinase p38 alpha activity using ATP[gamma-33P] and EGFR 21mer-peptide |
J Med Chem 48: 2270-3 (2005)
Article DOI: 10.1021/jm048978k BindingDB Entry DOI: 10.7270/Q2M90869 |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50164228
(1-(isopropylsulfonyl)-6-(4-phenyl-1H-imidazol-5-yl...)Show SMILES CC(C)S(=O)(=O)n1c(N)nc2ccc(cc12)-c1[nH]cnc1-c1ccccc1 Show InChI InChI=1S/C19H19N5O2S/c1-12(2)27(25,26)24-16-10-14(8-9-15(16)23-19(24)20)18-17(21-11-22-18)13-6-4-3-5-7-13/h3-12H,1-2H3,(H2,20,23)(H,21,22) | 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 | 4.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Eli Lilly and Co.
Curated by ChEMBL
| Assay Description Inhibition of human recombinant p38alpha |
Bioorg Med Chem Lett 18: 179-83 (2008)
Article DOI: 10.1016/j.bmcl.2007.10.106 BindingDB Entry DOI: 10.7270/Q2R78G31 |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50164240
(6-[5-(4-Fluoro-phenyl)-3H-imidazol-4-yl]-1-(propan...)Show SMILES CC(C)S(=O)(=O)n1c(N)nc2ccc(cc12)-c1nc[nH]c1-c1ccc(F)cc1 Show InChI InChI=1S/C19H18FN5O2S/c1-11(2)28(26,27)25-16-9-13(5-8-15(16)24-19(25)21)18-17(22-10-23-18)12-3-6-14(20)7-4-12/h3-11H,1-2H3,(H2,21,24)(H,22,23) | 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 | 4.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Eli Lilly and Co.
Curated by ChEMBL
| Assay Description Inhibition of human recombinant Mitogen activated protein kinase p38 alpha activity using ATP[gamma-33P] and EGFR 21mer-peptide |
J Med Chem 48: 2270-3 (2005)
Article DOI: 10.1021/jm048978k BindingDB Entry DOI: 10.7270/Q2M90869 |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50164236
(6-[2-tert-Butyl-5-(2,4-difluoro-phenyl)-3H-imidazo...)Show SMILES CC(C)S(=O)(=O)n1c(N)nc2ccc(cc12)-c1[nH]c(nc1-c1ccc(F)cc1F)C(C)(C)C Show InChI InChI=1S/C23H25F2N5O2S/c1-12(2)33(31,32)30-18-10-13(6-9-17(18)27-22(30)26)19-20(29-21(28-19)23(3,4)5)15-8-7-14(24)11-16(15)25/h6-12H,1-5H3,(H2,26,27)(H,28,29) | 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 | 4.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Eli Lilly and Co.
Curated by ChEMBL
| Assay Description Inhibition of human recombinant Mitogen activated protein kinase p38 alpha activity using ATP[gamma-33P] and EGFR 21mer-peptide |
J Med Chem 48: 2270-3 (2005)
Article DOI: 10.1021/jm048978k BindingDB Entry DOI: 10.7270/Q2M90869 |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50164236
(6-[2-tert-Butyl-5-(2,4-difluoro-phenyl)-3H-imidazo...)Show SMILES CC(C)S(=O)(=O)n1c(N)nc2ccc(cc12)-c1[nH]c(nc1-c1ccc(F)cc1F)C(C)(C)C Show InChI InChI=1S/C23H25F2N5O2S/c1-12(2)33(31,32)30-18-10-13(6-9-17(18)27-22(30)26)19-20(29-21(28-19)23(3,4)5)15-8-7-14(24)11-16(15)25/h6-12H,1-5H3,(H2,26,27)(H,28,29) | 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 | 4.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Eli Lilly and Co.
Curated by ChEMBL
| Assay Description Inhibition of human recombinant p38alpha |
Bioorg Med Chem Lett 18: 179-83 (2008)
Article DOI: 10.1016/j.bmcl.2007.10.106 BindingDB Entry DOI: 10.7270/Q2R78G31 |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50164230
(6-[5-(4-Fluoro-phenyl)-2-isopropyl-3H-imidazol-4-y...)Show SMILES CC(C)c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccc2nc(N)n(c2c1)S(=O)(=O)C(C)C Show InChI InChI=1S/C22H24FN5O2S/c1-12(2)21-26-19(14-5-8-16(23)9-6-14)20(27-21)15-7-10-17-18(11-15)28(22(24)25-17)31(29,30)13(3)4/h5-13H,1-4H3,(H2,24,25)(H,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 | 4.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Eli Lilly and Co.
Curated by ChEMBL
| Assay Description Inhibition of human recombinant Mitogen activated protein kinase p38 alpha activity using ATP[gamma-33P] and EGFR 21mer-peptide |
J Med Chem 48: 2270-3 (2005)
Article DOI: 10.1021/jm048978k BindingDB Entry DOI: 10.7270/Q2M90869 |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50373966
(CHEMBL272989)Show SMILES CC(C)Cn1cnc2ccc(nc12)-c1nc([nH]c1-c1ccccc1)-c1c(F)cccc1F Show InChI InChI=1S/C25H21F2N5/c1-15(2)13-32-14-28-20-12-11-19(29-25(20)32)23-22(16-7-4-3-5-8-16)30-24(31-23)21-17(26)9-6-10-18(21)27/h3-12,14-15H,13H2,1-2H3,(H,30,31) | 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 | 4.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Eli Lilly and Co.
Curated by ChEMBL
| Assay Description Inhibition of human recombinant p38alpha |
Bioorg Med Chem Lett 18: 179-83 (2008)
Article DOI: 10.1016/j.bmcl.2007.10.106 BindingDB Entry DOI: 10.7270/Q2R78G31 |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50164239
(6-[2-Ethyl-5-(4-fluoro-phenyl)-3H-imidazol-4-yl]-1...)Show SMILES CCc1nc(c([nH]1)-c1ccc(F)cc1)-c1ccc2nc(N)n(c2c1)S(=O)(=O)C(C)C Show InChI InChI=1S/C21H22FN5O2S/c1-4-18-25-19(13-5-8-15(22)9-6-13)20(26-18)14-7-10-16-17(11-14)27(21(23)24-16)30(28,29)12(2)3/h5-12H,4H2,1-3H3,(H2,23,24)(H,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 | 4.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Eli Lilly and Co.
Curated by ChEMBL
| Assay Description Inhibition of human recombinant Mitogen activated protein kinase p38 alpha activity using ATP[gamma-33P] and EGFR 21mer-peptide |
J Med Chem 48: 2270-3 (2005)
Article DOI: 10.1021/jm048978k BindingDB Entry DOI: 10.7270/Q2M90869 |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50164229
(6-[2-tert-Butyl-5-(2,4-difluoro-phenyl)-3H-imidazo...)Show SMILES CC(C)(C)c1nc(c([nH]1)-c1ccc2nc(N)n(c2c1)S(=O)(=O)C(C)(C)C)-c1ccc(F)cc1F Show InChI InChI=1S/C24H27F2N5O2S/c1-23(2,3)21-29-19(20(30-21)15-9-8-14(25)12-16(15)26)13-7-10-17-18(11-13)31(22(27)28-17)34(32,33)24(4,5)6/h7-12H,1-6H3,(H2,27,28)(H,29,30) | 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 | 4.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Eli Lilly and Co.
Curated by ChEMBL
| Assay Description Inhibition of human recombinant Mitogen activated protein kinase p38 alpha activity using ATP[gamma-33P] and EGFR 21mer-peptide |
J Med Chem 48: 2270-3 (2005)
Article DOI: 10.1021/jm048978k BindingDB Entry DOI: 10.7270/Q2M90869 |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50164232
(6-(2-(2,6-difluorophenyl)-4-phenyl-1H-imidazol-5-y...)Show SMILES CC(C)S(=O)(=O)n1c(N)nc2ccc(cc12)-c1[nH]c(nc1-c1ccccc1)-c1c(F)cccc1F Show InChI InChI=1S/C25H21F2N5O2S/c1-14(2)35(33,34)32-20-13-16(11-12-19(20)29-25(32)28)23-22(15-7-4-3-5-8-15)30-24(31-23)21-17(26)9-6-10-18(21)27/h3-14H,1-2H3,(H2,28,29)(H,30,31) | 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 | 4.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Eli Lilly and Co.
Curated by ChEMBL
| Assay Description Inhibition of human recombinant Mitogen activated protein kinase p38 alpha activity using ATP[gamma-33P] and EGFR 21mer-peptide |
J Med Chem 48: 2270-3 (2005)
Article DOI: 10.1021/jm048978k BindingDB Entry DOI: 10.7270/Q2M90869 |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50164232
(6-(2-(2,6-difluorophenyl)-4-phenyl-1H-imidazol-5-y...)Show SMILES CC(C)S(=O)(=O)n1c(N)nc2ccc(cc12)-c1[nH]c(nc1-c1ccccc1)-c1c(F)cccc1F Show InChI InChI=1S/C25H21F2N5O2S/c1-14(2)35(33,34)32-20-13-16(11-12-19(20)29-25(32)28)23-22(15-7-4-3-5-8-15)30-24(31-23)21-17(26)9-6-10-18(21)27/h3-14H,1-2H3,(H2,28,29)(H,30,31) | 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 | 4.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Eli Lilly and Co.
Curated by ChEMBL
| Assay Description Inhibition of human recombinant p38alpha |
Bioorg Med Chem Lett 18: 179-83 (2008)
Article DOI: 10.1016/j.bmcl.2007.10.106 BindingDB Entry DOI: 10.7270/Q2R78G31 |
More data for this Ligand-Target Pair | |
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1
(Homo sapiens (Human)) | BDBM6838
(1-(2-{18-methyl-12,14-dioxo-3,13,18-triazahexacycl...)Show SMILES Cn1ccc2ccc3c4[nH]c5c(CCN6CCC(CC6)C(N)=O)cccc5c4c4C(=O)NC(=O)c4c3c12 Show InChI InChI=1S/C29H27N5O3/c1-33-11-7-16-5-6-19-21(26(16)33)23-22(28(36)32-29(23)37)20-18-4-2-3-15(24(18)31-25(19)20)8-12-34-13-9-17(10-14-34)27(30)35/h2-7,11,17,31H,8-10,12-14H2,1H3,(H2,30,35)(H,32,36,37) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | 25 |
Lilly Research Laboratories
| Assay Description In vitro CDK assay using purified enzyme, was incubated at room temperature with substrate, and test compounds in the presence of ATP/[gamma-33P]ATP.... |
Bioorg Med Chem Lett 13: 2261-7 (2003)
Article DOI: 10.1016/s0960-894x(03)00461-x BindingDB Entry DOI: 10.7270/Q29W0CPW |
More data for this Ligand-Target Pair | |
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1
(Homo sapiens (Human)) | BDBM6846
(5-{2-[(4-hydroxycyclohexyl)amino]ethyl}-18-methyl-...)Show SMILES Cn1ccc2ccc3c4[nH]c5c(CCN[C@H]6CC[C@H](O)CC6)cccc5c4c4C(=O)NC(=O)c4c3c12 |r,wU:18.18,wD:15.14,(3.5,4.11,;3.82,2.6,;5.23,1.97,;5.06,.44,;3.56,.12,;2.79,-1.21,;1.25,-1.21,;.48,.12,;-1.06,.12,;-2.09,-1.02,;-3.5,-.4,;-4.91,-1.02,;-5.07,-2.55,;-6.44,-3.25,;-6.52,-4.79,;-7.89,-5.49,;-9.23,-4.72,;-10.56,-5.49,;-10.56,-7.03,;-11.89,-7.8,;-9.23,-7.8,;-7.89,-7.03,;-6.15,-.12,;-5.99,1.42,;-4.58,2.04,;-3.34,1.14,;-1.83,1.46,;-1.06,2.79,;-1.54,4.25,;-3,4.73,;-.29,5.16,;.95,4.25,;2.42,4.73,;.48,2.79,;1.25,1.46,;2.79,1.46,)| Show InChI InChI=1S/C29H28N4O3/c1-33-14-12-16-5-10-20-22(27(16)33)24-23(28(35)32-29(24)36)21-19-4-2-3-15(25(19)31-26(20)21)11-13-30-17-6-8-18(34)9-7-17/h2-5,10,12,14,17-18,30-31,34H,6-9,11,13H2,1H3,(H,32,35,36)/t17-,18- | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | 25 |
Lilly Research Laboratories
| Assay Description In vitro CDK assay using purified enzyme, was incubated at room temperature with substrate, and test compounds in the presence of ATP/[gamma-33P]ATP.... |
Bioorg Med Chem Lett 13: 2261-7 (2003)
Article DOI: 10.1016/s0960-894x(03)00461-x BindingDB Entry DOI: 10.7270/Q29W0CPW |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50373953
(CHEMBL402188)Show SMILES CC(C)Cn1cnc2ccc(nc12)-c1nc([nH]c1-c1ccccc1)C(C)(C)C Show InChI InChI=1S/C23H27N5/c1-15(2)13-28-14-24-18-12-11-17(25-21(18)28)20-19(16-9-7-6-8-10-16)26-22(27-20)23(3,4)5/h6-12,14-15H,13H2,1-5H3,(H,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 | 5.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Eli Lilly and Co.
Curated by ChEMBL
| Assay Description Inhibition of human recombinant p38alpha |
Bioorg Med Chem Lett 18: 179-83 (2008)
Article DOI: 10.1016/j.bmcl.2007.10.106 BindingDB Entry DOI: 10.7270/Q2R78G31 |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50164231
(6-[2-(1-Isobutyl-piperidin-4-yl)-5-phenyl-3H-imida...)Show SMILES CC(C)CN1CCC(CC1)c1nc(c([nH]1)-c1ccccc1)-c1ccc2nc(N)n(c2c1)S(=O)(=O)C(C)C Show InChI InChI=1S/C28H36N6O2S/c1-18(2)17-33-14-12-21(13-15-33)27-31-25(20-8-6-5-7-9-20)26(32-27)22-10-11-23-24(16-22)34(28(29)30-23)37(35,36)19(3)4/h5-11,16,18-19,21H,12-15,17H2,1-4H3,(H2,29,30)(H,31,32) | 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 | 5.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Eli Lilly and Co.
Curated by ChEMBL
| Assay Description Inhibition of human recombinant Mitogen activated protein kinase p38 alpha activity using ATP[gamma-33P] and EGFR 21mer-peptide |
J Med Chem 48: 2270-3 (2005)
Article DOI: 10.1021/jm048978k BindingDB Entry DOI: 10.7270/Q2M90869 |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50373970
(CHEMBL402219)Show SMILES CC(C)(C)Cn1c(N)nc2ccc(cc12)-c1nc([nH]c1-c1ccccc1)-c1c(F)cccc1F Show InChI InChI=1S/C27H25F2N5/c1-27(2,3)15-34-21-14-17(12-13-20(21)31-26(34)30)24-23(16-8-5-4-6-9-16)32-25(33-24)22-18(28)10-7-11-19(22)29/h4-14H,15H2,1-3H3,(H2,30,31)(H,32,33) | 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 | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Eli Lilly and Co.
Curated by ChEMBL
| Assay Description Inhibition of human recombinant p38alpha |
Bioorg Med Chem Lett 18: 179-83 (2008)
Article DOI: 10.1016/j.bmcl.2007.10.106 BindingDB Entry DOI: 10.7270/Q2R78G31 |
More data for this Ligand-Target Pair | |
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1
(Homo sapiens (Human)) | BDBM6800
(6-hydroxy-3,13,18-triazahexacyclo[14.7.0.0^{2,10}....)Show SMILES Oc1ccc2c(c1)[nH]c1c2c2C(=O)NC(=O)c2c2c3[nH]ccc3ccc12 Show InChI InChI=1S/C20H11N3O3/c24-9-2-4-10-12(7-9)22-18-11-3-1-8-5-6-21-17(8)14(11)16-15(13(10)18)19(25)23-20(16)26/h1-7,21-22,24H,(H,23,25,26) | PDB
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | 25 |
Lilly Research Laboratories
| Assay Description In vitro CDK assay using purified enzyme, was incubated at room temperature with substrate, and test compounds in the presence of ATP/[gamma-33P]ATP.... |
Bioorg Med Chem Lett 13: 2261-7 (2003)
Article DOI: 10.1016/s0960-894x(03)00461-x BindingDB Entry DOI: 10.7270/Q29W0CPW |
More data for this Ligand-Target Pair | |
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1
(Homo sapiens (Human)) | BDBM6803
(6-methoxy-18-methyl-3,13,18-triazahexacyclo[14.7.0...)Show SMILES COc1ccc2c(c1)[nH]c1c2c2C(=O)NC(=O)c2c2c3n(C)ccc3ccc12 Show InChI InChI=1S/C22H15N3O3/c1-25-8-7-10-3-5-13-16(20(10)25)18-17(21(26)24-22(18)27)15-12-6-4-11(28-2)9-14(12)23-19(13)15/h3-9,23H,1-2H3,(H,24,26,27) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | 25 |
Lilly Research Laboratories
| Assay Description In vitro CDK assay using purified enzyme, was incubated at room temperature with substrate, and test compounds in the presence of ATP/[gamma-33P]ATP.... |
Bioorg Med Chem Lett 13: 2261-7 (2003)
Article DOI: 10.1016/s0960-894x(03)00461-x BindingDB Entry DOI: 10.7270/Q29W0CPW |
More data for this Ligand-Target Pair | |
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1
(Homo sapiens (Human)) | BDBM6815
(6-fluoro-18,23-dimethyl-3,13,18-triazahexacyclo[14...)Show SMILES Cc1cc2ccn(C)c2c2c3C(=O)NC(=O)c3c3c4ccc(F)cc4[nH]c3c12 Show InChI InChI=1S/C22H14FN3O2/c1-9-7-10-5-6-26(2)20(10)16-14(9)19-15(17-18(16)22(28)25-21(17)27)12-4-3-11(23)8-13(12)24-19/h3-8,24H,1-2H3,(H,25,27,28) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | 25 |
Lilly Research Laboratories
| Assay Description In vitro CDK assay using purified enzyme, was incubated at room temperature with substrate, and test compounds in the presence of ATP/[gamma-33P]ATP.... |
Bioorg Med Chem Lett 13: 2261-7 (2003)
Article DOI: 10.1016/s0960-894x(03)00461-x BindingDB Entry DOI: 10.7270/Q29W0CPW |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50373963
(CHEMBL437030)Show SMILES CC(C)S(=O)(=O)n1c(N)nc2ccc(cc12)-c1[nH]c(nc1-c1ccccc1)-c1ccncc1 Show InChI InChI=1S/C24H22N6O2S/c1-15(2)33(31,32)30-20-14-18(8-9-19(20)27-24(30)25)22-21(16-6-4-3-5-7-16)28-23(29-22)17-10-12-26-13-11-17/h3-15H,1-2H3,(H2,25,27)(H,28,29) | 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 | 6.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Eli Lilly and Co.
Curated by ChEMBL
| Assay Description Inhibition of human recombinant p38alpha |
Bioorg Med Chem Lett 18: 179-83 (2008)
Article DOI: 10.1016/j.bmcl.2007.10.106 BindingDB Entry DOI: 10.7270/Q2R78G31 |
More data for this Ligand-Target Pair | |