Found 4 hits for monomerid = 50001578 Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
Cyclin-Dependent Kinase 1 (CDK1)
(Homo sapiens (Human)) | BDBM50001578
(CHEMBL3237713)Show SMILES C[C@@H](O)CN(C)C1CCN(CC1)c1ccc(Nc2ncc3c4ccncc4n([C@H]4CC[C@H](C)CC4)c3n2)nn1 |r,wU:28.29,1.0,wD:31.33,(19.97,-71.17,;19.95,-72.71,;21.28,-73.5,;18.61,-73.46,;17.29,-72.68,;15.94,-73.43,;17.3,-71.14,;15.98,-70.35,;16,-68.81,;17.34,-68.07,;18.67,-68.84,;18.65,-70.38,;17.35,-66.53,;18.69,-65.77,;18.7,-64.24,;17.39,-63.47,;17.4,-61.93,;18.73,-61.16,;18.72,-59.63,;20.05,-58.85,;21.39,-59.62,;22.86,-59.14,;23.49,-57.74,;25.02,-57.58,;25.93,-58.83,;25.3,-60.24,;23.77,-60.39,;22.86,-61.64,;23.33,-63.11,;24.84,-63.42,;25.31,-64.9,;24.27,-66.04,;24.74,-67.5,;22.76,-65.71,;22.3,-64.25,;21.39,-61.16,;20.07,-61.93,;16.05,-64.22,;16.03,-65.75,)| Show InChI InChI=1S/C29H39N9O/c1-19-4-6-22(7-5-19)38-25-17-30-13-10-23(25)24-16-31-29(33-28(24)38)32-26-8-9-27(35-34-26)37-14-11-21(12-15-37)36(3)18-20(2)39/h8-10,13,16-17,19-22,39H,4-7,11-12,14-15,18H2,1-3H3,(H,31,32,33,34)/t19-,20-,22-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.54E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description Inhibition of CDK1/cyclin B (unknown origin) using histone H1 as substrate after 60 mins by scintillation counting analysis in presence of [r-33P]ATP |
J Med Chem 57: 3430-49 (2014)
Article DOI: 10.1021/jm500118j BindingDB Entry DOI: 10.7270/Q2BK1DV4 |
More data for this Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50001578
(CHEMBL3237713)Show SMILES C[C@@H](O)CN(C)C1CCN(CC1)c1ccc(Nc2ncc3c4ccncc4n([C@H]4CC[C@H](C)CC4)c3n2)nn1 |r,wU:28.29,1.0,wD:31.33,(19.97,-71.17,;19.95,-72.71,;21.28,-73.5,;18.61,-73.46,;17.29,-72.68,;15.94,-73.43,;17.3,-71.14,;15.98,-70.35,;16,-68.81,;17.34,-68.07,;18.67,-68.84,;18.65,-70.38,;17.35,-66.53,;18.69,-65.77,;18.7,-64.24,;17.39,-63.47,;17.4,-61.93,;18.73,-61.16,;18.72,-59.63,;20.05,-58.85,;21.39,-59.62,;22.86,-59.14,;23.49,-57.74,;25.02,-57.58,;25.93,-58.83,;25.3,-60.24,;23.77,-60.39,;22.86,-61.64,;23.33,-63.11,;24.84,-63.42,;25.31,-64.9,;24.27,-66.04,;24.74,-67.5,;22.76,-65.71,;22.3,-64.25,;21.39,-61.16,;20.07,-61.93,;16.05,-64.22,;16.03,-65.75,)| Show InChI InChI=1S/C29H39N9O/c1-19-4-6-22(7-5-19)38-25-17-30-13-10-23(25)24-16-31-29(33-28(24)38)32-26-8-9-27(35-34-26)37-14-11-21(12-15-37)36(3)18-20(2)39/h8-10,13,16-17,19-22,39H,4-7,11-12,14-15,18H2,1-3H3,(H,31,32,33,34)/t19-,20-,22-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 920 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description Binding affinity to human ERG |
J Med Chem 57: 3430-49 (2014)
Article DOI: 10.1021/jm500118j BindingDB Entry DOI: 10.7270/Q2BK1DV4 |
More data for this Ligand-Target Pair | |
Cyclin-Dependent Kinase 4 (CDK4)
(Homo sapiens (Human)) | BDBM50001578
(CHEMBL3237713)Show SMILES C[C@@H](O)CN(C)C1CCN(CC1)c1ccc(Nc2ncc3c4ccncc4n([C@H]4CC[C@H](C)CC4)c3n2)nn1 |r,wU:28.29,1.0,wD:31.33,(19.97,-71.17,;19.95,-72.71,;21.28,-73.5,;18.61,-73.46,;17.29,-72.68,;15.94,-73.43,;17.3,-71.14,;15.98,-70.35,;16,-68.81,;17.34,-68.07,;18.67,-68.84,;18.65,-70.38,;17.35,-66.53,;18.69,-65.77,;18.7,-64.24,;17.39,-63.47,;17.4,-61.93,;18.73,-61.16,;18.72,-59.63,;20.05,-58.85,;21.39,-59.62,;22.86,-59.14,;23.49,-57.74,;25.02,-57.58,;25.93,-58.83,;25.3,-60.24,;23.77,-60.39,;22.86,-61.64,;23.33,-63.11,;24.84,-63.42,;25.31,-64.9,;24.27,-66.04,;24.74,-67.5,;22.76,-65.71,;22.3,-64.25,;21.39,-61.16,;20.07,-61.93,;16.05,-64.22,;16.03,-65.75,)| Show InChI InChI=1S/C29H39N9O/c1-19-4-6-22(7-5-19)38-25-17-30-13-10-23(25)24-16-31-29(33-28(24)38)32-26-8-9-27(35-34-26)37-14-11-21(12-15-37)36(3)18-20(2)39/h8-10,13,16-17,19-22,39H,4-7,11-12,14-15,18H2,1-3H3,(H,31,32,33,34)/t19-,20-,22-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description Inhibition of CDK4/cyclin D1 (unknown origin) using Rb as substrate after 60 mins by scintillation counting analysis in presence of [r-33P]ATP |
J Med Chem 57: 3430-49 (2014)
Article DOI: 10.1021/jm500118j BindingDB Entry DOI: 10.7270/Q2BK1DV4 |
More data for this Ligand-Target Pair | |
Receptor-type tyrosine-protein kinase FLT3
(Homo sapiens (Human)) | BDBM50001578
(CHEMBL3237713)Show SMILES C[C@@H](O)CN(C)C1CCN(CC1)c1ccc(Nc2ncc3c4ccncc4n([C@H]4CC[C@H](C)CC4)c3n2)nn1 |r,wU:28.29,1.0,wD:31.33,(19.97,-71.17,;19.95,-72.71,;21.28,-73.5,;18.61,-73.46,;17.29,-72.68,;15.94,-73.43,;17.3,-71.14,;15.98,-70.35,;16,-68.81,;17.34,-68.07,;18.67,-68.84,;18.65,-70.38,;17.35,-66.53,;18.69,-65.77,;18.7,-64.24,;17.39,-63.47,;17.4,-61.93,;18.73,-61.16,;18.72,-59.63,;20.05,-58.85,;21.39,-59.62,;22.86,-59.14,;23.49,-57.74,;25.02,-57.58,;25.93,-58.83,;25.3,-60.24,;23.77,-60.39,;22.86,-61.64,;23.33,-63.11,;24.84,-63.42,;25.31,-64.9,;24.27,-66.04,;24.74,-67.5,;22.76,-65.71,;22.3,-64.25,;21.39,-61.16,;20.07,-61.93,;16.05,-64.22,;16.03,-65.75,)| Show InChI InChI=1S/C29H39N9O/c1-19-4-6-22(7-5-19)38-25-17-30-13-10-23(25)24-16-31-29(33-28(24)38)32-26-8-9-27(35-34-26)37-14-11-21(12-15-37)36(3)18-20(2)39/h8-10,13,16-17,19-22,39H,4-7,11-12,14-15,18H2,1-3H3,(H,31,32,33,34)/t19-,20-,22-/m1/s1 | PDB MMDB
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 |
Amgen Inc.
Curated by ChEMBL
| Assay Description Inhibition of GST-fused human FLT3 cytoplasmic domain (amino acids 564 to 993) using Ulight-JAK1 as substrate after 1 hr by TR-FRET assay |
J Med Chem 57: 3430-49 (2014)
Article DOI: 10.1021/jm500118j BindingDB Entry DOI: 10.7270/Q2BK1DV4 |
More data for this Ligand-Target Pair | |