Found 4 hits for monomerid = 50437236 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
(Homo sapiens (Human)) | BDBM50437236
(CHEMBL2402946)Show SMILES NC1CCC(CC1)Nc1nc(NCc2ccc(nc2)-c2ccccc2O)c2ncn(C3CCCC3)c2n1 |(48.72,-25.09,;47.18,-25.1,;46.42,-26.44,;44.89,-26.46,;44.11,-25.13,;44.86,-23.79,;46.4,-23.78,;42.58,-25.15,;41.79,-23.81,;40.24,-23.83,;39.46,-22.5,;37.92,-22.51,;37.13,-21.18,;35.58,-21.2,;34.8,-19.87,;33.25,-19.9,;32.5,-21.23,;33.29,-22.55,;34.83,-22.54,;30.96,-21.25,;30.18,-19.92,;28.64,-19.94,;27.89,-21.28,;28.68,-22.61,;30.22,-22.59,;31.01,-23.91,;40.21,-21.15,;39.72,-19.69,;40.95,-18.77,;42.22,-19.66,;43.68,-19.16,;44.94,-20.06,;46.18,-19.13,;45.68,-17.66,;44.13,-17.69,;41.75,-21.13,;42.55,-22.47,)| Show InChI InChI=1S/C28H34N8O/c29-19-10-12-20(13-11-19)33-28-34-26(25-27(35-28)36(17-32-25)21-5-1-2-6-21)31-16-18-9-14-23(30-15-18)22-7-3-4-8-24(22)37/h3-4,7-9,14-15,17,19-21,37H,1-2,5-6,10-13,16,29H2,(H2,31,33,34,35) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 47 | n/a | n/a | n/a | n/a | n/a | n/a |
Palack£ University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CDK1 |
J Med Chem 56: 6234-47 (2013)
Article DOI: 10.1021/jm4006884
BindingDB Entry DOI: 10.7270/Q2FX7BVZ |
More data for this
Ligand-Target Pair | |
Cyclin-Dependent Kinase 5 (CDK5)
(Homo sapiens (Human)) | BDBM50437236
(CHEMBL2402946)Show SMILES NC1CCC(CC1)Nc1nc(NCc2ccc(nc2)-c2ccccc2O)c2ncn(C3CCCC3)c2n1 |(48.72,-25.09,;47.18,-25.1,;46.42,-26.44,;44.89,-26.46,;44.11,-25.13,;44.86,-23.79,;46.4,-23.78,;42.58,-25.15,;41.79,-23.81,;40.24,-23.83,;39.46,-22.5,;37.92,-22.51,;37.13,-21.18,;35.58,-21.2,;34.8,-19.87,;33.25,-19.9,;32.5,-21.23,;33.29,-22.55,;34.83,-22.54,;30.96,-21.25,;30.18,-19.92,;28.64,-19.94,;27.89,-21.28,;28.68,-22.61,;30.22,-22.59,;31.01,-23.91,;40.21,-21.15,;39.72,-19.69,;40.95,-18.77,;42.22,-19.66,;43.68,-19.16,;44.94,-20.06,;46.18,-19.13,;45.68,-17.66,;44.13,-17.69,;41.75,-21.13,;42.55,-22.47,)| Show InChI InChI=1S/C28H34N8O/c29-19-10-12-20(13-11-19)33-28-34-26(25-27(35-28)36(17-32-25)21-5-1-2-6-21)31-16-18-9-14-23(30-15-18)22-7-3-4-8-24(22)37/h3-4,7-9,14-15,17,19-21,37H,1-2,5-6,10-13,16,29H2,(H2,31,33,34,35) | 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 | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
Palack£ University
Curated by ChEMBL
| Assay Description
Inhibition of CDK5/p35 (unknown origin) using histone H1 as substrate |
J Med Chem 56: 6234-47 (2013)
Article DOI: 10.1021/jm4006884
BindingDB Entry DOI: 10.7270/Q2FX7BVZ |
More data for this
Ligand-Target Pair | |
CDK7/Cyclin H/MNAT1
(Homo sapiens (Human)) | BDBM50437236
(CHEMBL2402946)Show SMILES NC1CCC(CC1)Nc1nc(NCc2ccc(nc2)-c2ccccc2O)c2ncn(C3CCCC3)c2n1 |(48.72,-25.09,;47.18,-25.1,;46.42,-26.44,;44.89,-26.46,;44.11,-25.13,;44.86,-23.79,;46.4,-23.78,;42.58,-25.15,;41.79,-23.81,;40.24,-23.83,;39.46,-22.5,;37.92,-22.51,;37.13,-21.18,;35.58,-21.2,;34.8,-19.87,;33.25,-19.9,;32.5,-21.23,;33.29,-22.55,;34.83,-22.54,;30.96,-21.25,;30.18,-19.92,;28.64,-19.94,;27.89,-21.28,;28.68,-22.61,;30.22,-22.59,;31.01,-23.91,;40.21,-21.15,;39.72,-19.69,;40.95,-18.77,;42.22,-19.66,;43.68,-19.16,;44.94,-20.06,;46.18,-19.13,;45.68,-17.66,;44.13,-17.69,;41.75,-21.13,;42.55,-22.47,)| Show InChI InChI=1S/C28H34N8O/c29-19-10-12-20(13-11-19)33-28-34-26(25-27(35-28)36(17-32-25)21-5-1-2-6-21)31-16-18-9-14-23(30-15-18)22-7-3-4-8-24(22)37/h3-4,7-9,14-15,17,19-21,37H,1-2,5-6,10-13,16,29H2,(H2,31,33,34,35) | PDB
UniProtKB/SwissProt
UniProtKB/TrEMBL
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 306 | n/a | n/a | n/a | n/a | n/a | n/a |
Palack£ University
Curated by ChEMBL
| Assay Description
Inhibition of CDK7/Cyclin-H/MAT 1 (unknown origin) using (YSPTSPS)2KK peptide as substrate |
J Med Chem 56: 6234-47 (2013)
Article DOI: 10.1021/jm4006884
BindingDB Entry DOI: 10.7270/Q2FX7BVZ |
More data for this
Ligand-Target Pair | |
Cyclin-Dependent Kinase 9 (CDK9)
(Homo sapiens (Human)) | BDBM50437236
(CHEMBL2402946)Show SMILES NC1CCC(CC1)Nc1nc(NCc2ccc(nc2)-c2ccccc2O)c2ncn(C3CCCC3)c2n1 |(48.72,-25.09,;47.18,-25.1,;46.42,-26.44,;44.89,-26.46,;44.11,-25.13,;44.86,-23.79,;46.4,-23.78,;42.58,-25.15,;41.79,-23.81,;40.24,-23.83,;39.46,-22.5,;37.92,-22.51,;37.13,-21.18,;35.58,-21.2,;34.8,-19.87,;33.25,-19.9,;32.5,-21.23,;33.29,-22.55,;34.83,-22.54,;30.96,-21.25,;30.18,-19.92,;28.64,-19.94,;27.89,-21.28,;28.68,-22.61,;30.22,-22.59,;31.01,-23.91,;40.21,-21.15,;39.72,-19.69,;40.95,-18.77,;42.22,-19.66,;43.68,-19.16,;44.94,-20.06,;46.18,-19.13,;45.68,-17.66,;44.13,-17.69,;41.75,-21.13,;42.55,-22.47,)| Show InChI InChI=1S/C28H34N8O/c29-19-10-12-20(13-11-19)33-28-34-26(25-27(35-28)36(17-32-25)21-5-1-2-6-21)31-16-18-9-14-23(30-15-18)22-7-3-4-8-24(22)37/h3-4,7-9,14-15,17,19-21,37H,1-2,5-6,10-13,16,29H2,(H2,31,33,34,35) | PDB
MMDB
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 | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Palack£ University
Curated by ChEMBL
| Assay Description
Inhibition of CDK9/Cyclin T1 (unknown origin) using (YSPTSPS)2KK peptide as substrate |
J Med Chem 56: 6234-47 (2013)
Article DOI: 10.1021/jm4006884
BindingDB Entry DOI: 10.7270/Q2FX7BVZ |
More data for this
Ligand-Target Pair | |
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