Found 9 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 |
|---|
Cyclin-dependent kinase 2
(Homo sapiens (Human)) | BDBM50321580
(1-(3-aminopropyl)-8-(phenylamino)-4,5-dihydro-1H-p...)Show SMILES NCCCn1nc(C(N)=O)c2CCc3cnc(Nc4ccccc4)nc3-c12 Show InChI InChI=1S/C19H21N7O/c20-9-4-10-26-17-14(16(25-26)18(21)27)8-7-12-11-22-19(24-15(12)17)23-13-5-2-1-3-6-13/h1-3,5-6,11H,4,7-10,20H2,(H2,21,27)(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 | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Nerviano Medical Sciences Srl
Curated by ChEMBL
| Assay Description
Inhibition of CDK2 |
Bioorg Med Chem Lett 20: 4095-9 (2010)
Article DOI: 10.1016/j.bmcl.2010.05.070
BindingDB Entry DOI: 10.7270/Q2NP25C5 |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 2
(Homo sapiens (Human)) | BDBM50321578
(1-(2-amino-2-oxoethyl)-8-(phenylamino)-4,5-dihydro...)Show SMILES NC(=O)Cn1nc(C(N)=O)c2CCc3cnc(Nc4ccccc4)nc3-c12 Show InChI InChI=1S/C18H17N7O2/c19-13(26)9-25-16-12(15(24-25)17(20)27)7-6-10-8-21-18(23-14(10)16)22-11-4-2-1-3-5-11/h1-5,8H,6-7,9H2,(H2,19,26)(H2,20,27)(H,21,22,23) | 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 | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Nerviano Medical Sciences Srl
Curated by ChEMBL
| Assay Description
Inhibition of CDK2 |
Bioorg Med Chem Lett 20: 4095-9 (2010)
Article DOI: 10.1016/j.bmcl.2010.05.070
BindingDB Entry DOI: 10.7270/Q2NP25C5 |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 2
(Homo sapiens (Human)) | BDBM50321579
(8-(phenylamino)-1-(piperidin-4-ylmethyl)-4,5-dihyd...)Show SMILES NC(=O)c1nn(CC2CCNCC2)c-2c1CCc1cnc(Nc3ccccc3)nc-21 Show InChI InChI=1S/C22H25N7O/c23-21(30)19-17-7-6-15-12-25-22(26-16-4-2-1-3-5-16)27-18(15)20(17)29(28-19)13-14-8-10-24-11-9-14/h1-5,12,14,24H,6-11,13H2,(H2,23,30)(H,25,26,27) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Nerviano Medical Sciences Srl
Curated by ChEMBL
| Assay Description
Inhibition of CDK2 |
Bioorg Med Chem Lett 20: 4095-9 (2010)
Article DOI: 10.1016/j.bmcl.2010.05.070
BindingDB Entry DOI: 10.7270/Q2NP25C5 |
More data for this
Ligand-Target Pair | |
3-phosphoinositide-dependent protein kinase 1
(Homo sapiens (Human)) | BDBM50321580
(1-(3-aminopropyl)-8-(phenylamino)-4,5-dihydro-1H-p...)Show SMILES NCCCn1nc(C(N)=O)c2CCc3cnc(Nc4ccccc4)nc3-c12 Show InChI InChI=1S/C19H21N7O/c20-9-4-10-26-17-14(16(25-26)18(21)27)8-7-12-11-22-19(24-15(12)17)23-13-5-2-1-3-6-13/h1-3,5-6,11H,4,7-10,20H2,(H2,21,27)(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 | 36 | n/a | n/a | n/a | n/a | n/a | n/a |
Nerviano Medical Sciences Srl
Curated by ChEMBL
| Assay Description
Inhibition of PDK1 |
Bioorg Med Chem Lett 20: 4095-9 (2010)
Article DOI: 10.1016/j.bmcl.2010.05.070
BindingDB Entry DOI: 10.7270/Q2NP25C5 |
More data for this
Ligand-Target Pair | |
3-phosphoinositide-dependent protein kinase 1
(Homo sapiens (Human)) | BDBM50321582
(1-(3-aminopropyl)-8-(3-(2-(dimethylamino)-2-oxoeth...)Show SMILES CN(C)C(=O)Cc1cccc(Nc2ncc3CCc4c(nn(CCCN)c4-c3n2)C(=O)NCc2ccnc(C)c2)c1 Show InChI InChI=1S/C30H35N9O2/c1-19-14-21(10-12-32-19)17-33-29(41)27-24-9-8-22-18-34-30(36-26(22)28(24)39(37-27)13-5-11-31)35-23-7-4-6-20(15-23)16-25(40)38(2)3/h4,6-7,10,12,14-15,18H,5,8-9,11,13,16-17,31H2,1-3H3,(H,33,41)(H,34,35,36) | 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 | 85 | n/a | n/a | n/a | n/a | n/a | n/a |
Nerviano Medical Sciences Srl
Curated by ChEMBL
| Assay Description
Inhibition of PDK1 |
Bioorg Med Chem Lett 20: 4095-9 (2010)
Article DOI: 10.1016/j.bmcl.2010.05.070
BindingDB Entry DOI: 10.7270/Q2NP25C5 |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 2
(Homo sapiens (Human)) | BDBM50321581
(1-METHYL-8-{[4-(4-METHYLPIPERAZIN-1-YL)PHENYL]AMIN...)Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3CCc4c(nn(C)c4-c3n2)C(=O)NCc2ccnc(C)c2)cc1 Show InChI InChI=1S/C29H33N9O/c1-19-16-20(10-11-30-19)17-31-28(39)26-24-9-4-21-18-32-29(34-25(21)27(24)37(3)35-26)33-22-5-7-23(8-6-22)38-14-12-36(2)13-15-38/h5-8,10-11,16,18H,4,9,12-15,17H2,1-3H3,(H,31,39)(H,32,33,34) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| n/a | n/a | 319 | n/a | n/a | n/a | n/a | n/a | n/a |
Nerviano Medical Sciences Srl
Curated by ChEMBL
| Assay Description
Inhibition of CDK2 |
Bioorg Med Chem Lett 20: 4095-9 (2010)
Article DOI: 10.1016/j.bmcl.2010.05.070
BindingDB Entry DOI: 10.7270/Q2NP25C5 |
More data for this
Ligand-Target Pair | |
3-phosphoinositide-dependent protein kinase 1
(Homo sapiens (Human)) | BDBM50321579
(8-(phenylamino)-1-(piperidin-4-ylmethyl)-4,5-dihyd...)Show SMILES NC(=O)c1nn(CC2CCNCC2)c-2c1CCc1cnc(Nc3ccccc3)nc-21 Show InChI InChI=1S/C22H25N7O/c23-21(30)19-17-7-6-15-12-25-22(26-16-4-2-1-3-5-16)27-18(15)20(17)29(28-19)13-14-8-10-24-11-9-14/h1-5,12,14,24H,6-11,13H2,(H2,23,30)(H,25,26,27) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
UniChem
Similars
| MMDB
Article
PubMed
| n/a | n/a | 374 | n/a | n/a | n/a | n/a | n/a | n/a |
Nerviano Medical Sciences Srl
Curated by ChEMBL
| Assay Description
Inhibition of PDK1 |
Bioorg Med Chem Lett 20: 4095-9 (2010)
Article DOI: 10.1016/j.bmcl.2010.05.070
BindingDB Entry DOI: 10.7270/Q2NP25C5 |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 2
(Homo sapiens (Human)) | BDBM50321582
(1-(3-aminopropyl)-8-(3-(2-(dimethylamino)-2-oxoeth...)Show SMILES CN(C)C(=O)Cc1cccc(Nc2ncc3CCc4c(nn(CCCN)c4-c3n2)C(=O)NCc2ccnc(C)c2)c1 Show InChI InChI=1S/C30H35N9O2/c1-19-14-21(10-12-32-19)17-33-29(41)27-24-9-8-22-18-34-30(36-26(22)28(24)39(37-27)13-5-11-31)35-23-7-4-6-20(15-23)16-25(40)38(2)3/h4,6-7,10,12,14-15,18H,5,8-9,11,13,16-17,31H2,1-3H3,(H,33,41)(H,34,35,36) | 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 | 500 | n/a | n/a | n/a | n/a | n/a | n/a |
Nerviano Medical Sciences Srl
Curated by ChEMBL
| Assay Description
Inhibition of CDK2 |
Bioorg Med Chem Lett 20: 4095-9 (2010)
Article DOI: 10.1016/j.bmcl.2010.05.070
BindingDB Entry DOI: 10.7270/Q2NP25C5 |
More data for this
Ligand-Target Pair | |
3-phosphoinositide-dependent protein kinase 1
(Homo sapiens (Human)) | BDBM50321578
(1-(2-amino-2-oxoethyl)-8-(phenylamino)-4,5-dihydro...)Show SMILES NC(=O)Cn1nc(C(N)=O)c2CCc3cnc(Nc4ccccc4)nc3-c12 Show InChI InChI=1S/C18H17N7O2/c19-13(26)9-25-16-12(15(24-25)17(20)27)7-6-10-8-21-18(23-14(10)16)22-11-4-2-1-3-5-11/h1-5,8H,6-7,9H2,(H2,19,26)(H2,20,27)(H,21,22,23) | 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 | 2.74E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Nerviano Medical Sciences Srl
Curated by ChEMBL
| Assay Description
Inhibition of PDK1 |
Bioorg Med Chem Lett 20: 4095-9 (2010)
Article DOI: 10.1016/j.bmcl.2010.05.070
BindingDB Entry DOI: 10.7270/Q2NP25C5 |
More data for this
Ligand-Target Pair | |
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