Found 137 hits Enz. Inhib. hit(s) with all data for entry = 50036871 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 1
(Homo sapiens (Human)) | BDBM50093407
((R)2-{6-[(Benzo[1,3]dioxol-5-ylmethyl)-amino]-9-is...)Show SMILES CC(C)[C@H](CO)Nc1nc(NCc2ccc3OCOc3c2)c2ncn(C(C)C)c2n1 |r| Show InChI InChI=1S/C21H28N6O3/c1-12(2)15(9-28)24-21-25-19(18-20(26-21)27(10-23-18)13(3)4)22-8-14-5-6-16-17(7-14)30-11-29-16/h5-7,10,12-13,15,28H,8-9,11H2,1-4H3,(H2,22,24,25,26) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Institut Curie
Curated by ChEMBL
| Assay Description
Inhibition of Cyclin-dependent kinase 1 (CDK1) |
J Med Chem 43: 4098-108 (2000)
BindingDB Entry DOI: 10.7270/Q24B321Q |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 1
(Homo sapiens (Human)) | BDBM7576
(1-(6-{[(4-chlorophenyl)methyl]amino}-9-(propan-2-y...)Show SMILES CCC(C)(O)C#Cc1nc(NCc2ccc(Cl)cc2)c2ncn(C(C)C)c2n1 Show InChI InChI=1S/C21H24ClN5O/c1-5-21(4,28)11-10-17-25-19(23-12-15-6-8-16(22)9-7-15)18-20(26-17)27(13-24-18)14(2)3/h6-9,13-14,28H,5,12H2,1-4H3,(H,23,25,26) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 60 | n/a | n/a | n/a | n/a | n/a | n/a |
Institut Curie
Curated by ChEMBL
| Assay Description
Inhibition of Cyclin-dependent kinase 1 (CDK1) |
J Med Chem 43: 4098-108 (2000)
BindingDB Entry DOI: 10.7270/Q24B321Q |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 1
(Homo sapiens (Human)) | BDBM7584
(1-{6-[(3-chlorophenyl)amino]-9-(propan-2-yl)-9H-pu...)Show SMILES CCC(C)(O)C#Cc1nc(Nc2cccc(Cl)c2)c2ncn(C(C)C)c2n1 Show InChI InChI=1S/C20H22ClN5O/c1-5-20(4,27)10-9-16-24-18(23-15-8-6-7-14(21)11-15)17-19(25-16)26(12-22-17)13(2)3/h6-8,11-13,27H,5H2,1-4H3,(H,23,24,25) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 60 | n/a | n/a | n/a | n/a | n/a | n/a |
Institut Curie
Curated by ChEMBL
| Assay Description
Inhibition of Cyclin-dependent kinase 1 (CDK1) |
J Med Chem 43: 4098-108 (2000)
BindingDB Entry DOI: 10.7270/Q24B321Q |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 1
(Homo sapiens (Human)) | BDBM7579
(1-(6-{[4-(dimethylamino)benzyl]amino}-9-isopropyl-...)Show SMILES CCC(C)(O)C#Cc1nc(NCc2ccc(cc2)N(C)C)c2ncn(C(C)C)c2n1 Show InChI InChI=1S/C23H30N6O/c1-7-23(4,30)13-12-19-26-21(20-22(27-19)29(15-25-20)16(2)3)24-14-17-8-10-18(11-9-17)28(5)6/h8-11,15-16,30H,7,14H2,1-6H3,(H,24,26,27) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 150 | n/a | n/a | n/a | n/a | n/a | n/a |
Institut Curie
Curated by ChEMBL
| Assay Description
Inhibition of Cyclin-dependent kinase 1 (CDK1) |
J Med Chem 43: 4098-108 (2000)
BindingDB Entry DOI: 10.7270/Q24B321Q |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 5
(Homo sapiens (Human)) | BDBM7533
((2R)-2-[[6-(benzylamino)-9-isopropyl-purin-2-yl]am...)Show SMILES CC[C@H](CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1 |r| Show InChI InChI=1S/C19H26N6O/c1-4-15(11-26)22-19-23-17(20-10-14-8-6-5-7-9-14)16-18(24-19)25(12-21-16)13(2)3/h5-9,12-13,15,26H,4,10-11H2,1-3H3,(H2,20,22,23,24)/t15-/m1/s1 | 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
PubMed
| n/a | n/a | 160 | n/a | n/a | n/a | n/a | n/a | n/a |
Institut Curie
Curated by ChEMBL
| Assay Description
Compound was tested for its inhibitory activity against cyclin-dependent kinase 5 |
J Med Chem 43: 4098-108 (2000)
BindingDB Entry DOI: 10.7270/Q24B321Q |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Cyclin-dependent kinase 1
(Homo sapiens (Human)) | BDBM7553
(1-{2-[6-(benzylamino)-9-(propan-2-yl)-9H-purin-2-y...)Show SMILES CC(C)n1cnc2c(NCc3ccccc3)nc(nc12)C#CC1(O)CCCCC1 Show InChI InChI=1S/C23H27N5O/c1-17(2)28-16-25-20-21(24-15-18-9-5-3-6-10-18)26-19(27-22(20)28)11-14-23(29)12-7-4-8-13-23/h3,5-6,9-10,16-17,29H,4,7-8,12-13,15H2,1-2H3,(H,24,26,27) | PDB
Reactome pathway
KEGG
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antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 180 | n/a | n/a | n/a | n/a | n/a | n/a |
Institut Curie
Curated by ChEMBL
| Assay Description
Inhibition of Cyclin-dependent kinase 1 (CDK1) |
J Med Chem 43: 4098-108 (2000)
BindingDB Entry DOI: 10.7270/Q24B321Q |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 1
(Homo sapiens (Human)) | BDBM7574
(1-(6-{[(4-ethoxyphenyl)methyl]amino}-9-(propan-2-y...)Show SMILES CCOc1ccc(CNc2nc(nc3n(cnc23)C(C)C)C#CC(C)(O)CC)cc1 Show InChI InChI=1S/C23H29N5O2/c1-6-23(5,29)13-12-19-26-21(20-22(27-19)28(15-25-20)16(3)4)24-14-17-8-10-18(11-9-17)30-7-2/h8-11,15-16,29H,6-7,14H2,1-5H3,(H,24,26,27) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 180 | n/a | n/a | n/a | n/a | n/a | n/a |
Institut Curie
Curated by ChEMBL
| Assay Description
Inhibition of Cyclin-dependent kinase 1 (CDK1) |
J Med Chem 43: 4098-108 (2000)
BindingDB Entry DOI: 10.7270/Q24B321Q |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 1
(Homo sapiens (Human)) | BDBM7554
(5-[6-(benzylamino)-9-(propan-2-yl)-9H-purin-2-yl]p...)Show InChI InChI=1S/C20H23N5O/c1-15(2)25-14-22-18-19(21-13-16-9-5-3-6-10-16)23-17(24-20(18)25)11-7-4-8-12-26/h3,5-6,9-10,14-15,26H,4,8,12-13H2,1-2H3,(H,21,23,24) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
Institut Curie
Curated by ChEMBL
| Assay Description
Inhibition of Cyclin-dependent kinase 1 (CDK1) |
J Med Chem 43: 4098-108 (2000)
BindingDB Entry DOI: 10.7270/Q24B321Q |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 1
(Homo sapiens (Human)) | BDBM7577
(1-{6-[(1,3-benzodioxol-5-ylmethyl)amino]-9-isoprop...)Show SMILES CCC(C)(O)C#Cc1nc(NCc2ccc3OCOc3c2)c2ncn(C(C)C)c2n1 Show InChI InChI=1S/C22H25N5O3/c1-5-22(4,28)9-8-18-25-20(19-21(26-18)27(12-24-19)14(2)3)23-11-15-6-7-16-17(10-15)30-13-29-16/h6-7,10,12,14,28H,5,11,13H2,1-4H3,(H,23,25,26) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
Institut Curie
Curated by ChEMBL
| Assay Description
Inhibition of Cyclin-dependent kinase 1 (CDK1) |
J Med Chem 43: 4098-108 (2000)
BindingDB Entry DOI: 10.7270/Q24B321Q |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 1
(Homo sapiens (Human)) | BDBM7581
(1-{6-[(4-methoxyphenyl)amino]-9-(propan-2-yl)-9H-p...)Show SMILES CCC(C)(O)C#Cc1nc(Nc2ccc(OC)cc2)c2ncn(C(C)C)c2n1 Show InChI InChI=1S/C21H25N5O2/c1-6-21(4,27)12-11-17-24-19(23-15-7-9-16(28-5)10-8-15)18-20(25-17)26(13-22-18)14(2)3/h7-10,13-14,27H,6H2,1-5H3,(H,23,24,25) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
Institut Curie
Curated by ChEMBL
| Assay Description
Inhibition of Cyclin-dependent kinase 1 (CDK1) |
J Med Chem 43: 4098-108 (2000)
BindingDB Entry DOI: 10.7270/Q24B321Q |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 1
(Homo sapiens (Human)) | BDBM7555
(1-[6-(benzylamino)-9-(propan-2-yl)-9H-purin-2-yl]-...)Show SMILES CCC(C)(O)C#Cc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1 Show InChI InChI=1S/C21H25N5O/c1-5-21(4,27)12-11-17-24-19(22-13-16-9-7-6-8-10-16)18-20(25-17)26(14-23-18)15(2)3/h6-10,14-15,27H,5,13H2,1-4H3,(H,22,24,25) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
Institut Curie
Curated by ChEMBL
| Assay Description
Inhibition of Cyclin-dependent kinase 1 (CDK1) |
J Med Chem 43: 4098-108 (2000)
BindingDB Entry DOI: 10.7270/Q24B321Q |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 1
(Homo sapiens (Human)) | BDBM7582
(1-{6-[(4-ethoxyphenyl)amino]-9-(propan-2-yl)-9H-pu...)Show SMILES CCOc1ccc(Nc2nc(nc3n(cnc23)C(C)C)C#CC(C)(O)CC)cc1 Show InChI InChI=1S/C22H27N5O2/c1-6-22(5,28)13-12-18-25-20(19-21(26-18)27(14-23-19)15(3)4)24-16-8-10-17(11-9-16)29-7-2/h8-11,14-15,28H,6-7H2,1-5H3,(H,24,25,26) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
Institut Curie
Curated by ChEMBL
| Assay Description
Inhibition of Cyclin-dependent kinase 1 (CDK1) |
J Med Chem 43: 4098-108 (2000)
BindingDB Entry DOI: 10.7270/Q24B321Q |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 1
(Homo sapiens (Human)) | BDBM7583
(1-{6-[(3,4-dichlorophenyl)amino]-9-(propan-2-yl)-9...)Show SMILES CCC(C)(O)C#Cc1nc(Nc2ccc(Cl)c(Cl)c2)c2ncn(C(C)C)c2n1 Show InChI InChI=1S/C20H21Cl2N5O/c1-5-20(4,28)9-8-16-25-18(24-13-6-7-14(21)15(22)10-13)17-19(26-16)27(11-23-17)12(2)3/h6-7,10-12,28H,5H2,1-4H3,(H,24,25,26) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
Institut Curie
Curated by ChEMBL
| Assay Description
Inhibition of Cyclin-dependent kinase 1 (CDK1) |
J Med Chem 43: 4098-108 (2000)
BindingDB Entry DOI: 10.7270/Q24B321Q |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 1
(Homo sapiens (Human)) | BDBM50093414
((R){1-[9-Isopropyl-6-(4-methoxy-benzylamino)-9H-pu...)Show SMILES COc1ccc(CNc2nc(nc3n(cnc23)C(C)C)N2CCC[C@@H]2CO)cc1 |r| Show InChI InChI=1S/C21H28N6O2/c1-14(2)27-13-23-18-19(22-11-15-6-8-17(29-3)9-7-15)24-21(25-20(18)27)26-10-4-5-16(26)12-28/h6-9,13-14,16,28H,4-5,10-12H2,1-3H3,(H,22,24,25) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 210 | n/a | n/a | n/a | n/a | n/a | n/a |
Institut Curie
Curated by ChEMBL
| Assay Description
Inhibition of cyclin-dependent kinase 1 |
J Med Chem 43: 4098-108 (2000)
BindingDB Entry DOI: 10.7270/Q24B321Q |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 5
(Homo sapiens (Human)) | BDBM7576
(1-(6-{[(4-chlorophenyl)methyl]amino}-9-(propan-2-y...)Show SMILES CCC(C)(O)C#Cc1nc(NCc2ccc(Cl)cc2)c2ncn(C(C)C)c2n1 Show InChI InChI=1S/C21H24ClN5O/c1-5-21(4,28)11-10-17-25-19(23-12-15-6-8-16(22)9-7-15)18-20(26-17)27(13-24-18)14(2)3/h6-9,13-14,28H,5,12H2,1-4H3,(H,23,25,26) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 230 | n/a | n/a | n/a | n/a | n/a | n/a |
Institut Curie
Curated by ChEMBL
| Assay Description
Compound was tested for its inhibitory activity against cyclin-dependent kinase 5 |
J Med Chem 43: 4098-108 (2000)
BindingDB Entry DOI: 10.7270/Q24B321Q |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 1
(Homo sapiens (Human)) | BDBM7573
(1-(6-{[(4-methoxyphenyl)methyl]amino}-9-(propan-2-...)Show SMILES CCC(C)(O)C#Cc1nc(NCc2ccc(OC)cc2)c2ncn(C(C)C)c2n1 Show InChI InChI=1S/C22H27N5O2/c1-6-22(4,28)12-11-18-25-20(19-21(26-18)27(14-24-19)15(2)3)23-13-16-7-9-17(29-5)10-8-16/h7-10,14-15,28H,6,13H2,1-5H3,(H,23,25,26) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 230 | n/a | n/a | n/a | n/a | n/a | n/a |
Institut Curie
Curated by ChEMBL
| Assay Description
Inhibition of cyclin-dependent kinase 1 |
J Med Chem 43: 4098-108 (2000)
BindingDB Entry DOI: 10.7270/Q24B321Q |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 5
(Homo sapiens (Human)) | BDBM7579
(1-(6-{[4-(dimethylamino)benzyl]amino}-9-isopropyl-...)Show SMILES CCC(C)(O)C#Cc1nc(NCc2ccc(cc2)N(C)C)c2ncn(C(C)C)c2n1 Show InChI InChI=1S/C23H30N6O/c1-7-23(4,30)13-12-19-26-21(20-22(27-19)29(15-25-20)16(2)3)24-14-17-8-10-18(11-9-17)28(5)6/h8-11,15-16,30H,7,14H2,1-6H3,(H,24,26,27) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 260 | n/a | n/a | n/a | n/a | n/a | n/a |
Institut Curie
Curated by ChEMBL
| Assay Description
Compound was tested for its inhibitory activity against cyclin-dependent kinase 5 |
J Med Chem 43: 4098-108 (2000)
BindingDB Entry DOI: 10.7270/Q24B321Q |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 5
(Homo sapiens (Human)) | BDBM7580
(1-(6-anilino-9-isopropyl-9H-purin-2-yl)-3-methylpe...)Show SMILES CCC(C)(O)C#Cc1nc(Nc2ccccc2)c2ncn(C(C)C)c2n1 Show InChI InChI=1S/C20H23N5O/c1-5-20(4,26)12-11-16-23-18(22-15-9-7-6-8-10-15)17-19(24-16)25(13-21-17)14(2)3/h6-10,13-14,26H,5H2,1-4H3,(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
Patents
Similars
| PubMed
| n/a | n/a | 300 | n/a | n/a | n/a | n/a | n/a | n/a |
Institut Curie
Curated by ChEMBL
| Assay Description
Compound was tested for its inhibitory activity against cyclin-dependent kinase 5 |
J Med Chem 43: 4098-108 (2000)
BindingDB Entry DOI: 10.7270/Q24B321Q |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 1
(Homo sapiens (Human)) | BDBM50093425
((R)[1-(9-Isopropyl-6-phenylamino-9H-purin-2-yl)-py...)Show SMILES CC(C)n1cnc2c(Nc3ccccc3)nc(nc12)N1CCC[C@@H]1CO |r| Show InChI InChI=1S/C19H24N6O/c1-13(2)25-12-20-16-17(21-14-7-4-3-5-8-14)22-19(23-18(16)25)24-10-6-9-15(24)11-26/h3-5,7-8,12-13,15,26H,6,9-11H2,1-2H3,(H,21,22,23) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 300 | n/a | n/a | n/a | n/a | n/a | n/a |
Institut Curie
Curated by ChEMBL
| Assay Description
Inhibition of Cyclin-dependent kinase 1 (CDK1) |
J Med Chem 43: 4098-108 (2000)
BindingDB Entry DOI: 10.7270/Q24B321Q |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 1
(Homo sapiens (Human)) | BDBM50093389
(4-(6-Butylamino-9-isopropyl-9H-purin-2-yl)-2-methy...)Show SMILES CCCCNc1nc(nc2n(cnc12)C(C)C)C#CC(C)(O)Cc1ccccc1 Show InChI InChI=1S/C23H29N5O/c1-5-6-14-24-21-20-22(28(16-25-20)17(2)3)27-19(26-21)12-13-23(4,29)15-18-10-8-7-9-11-18/h7-11,16-17,29H,5-6,14-15H2,1-4H3,(H,24,26,27) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 300 | n/a | n/a | n/a | n/a | n/a | n/a |
Institut Curie
Curated by ChEMBL
| Assay Description
Inhibition of Cyclin-dependent kinase 1 (CDK1) |
J Med Chem 43: 4098-108 (2000)
BindingDB Entry DOI: 10.7270/Q24B321Q |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 5
(Homo sapiens (Human)) | BDBM7581
(1-{6-[(4-methoxyphenyl)amino]-9-(propan-2-yl)-9H-p...)Show SMILES CCC(C)(O)C#Cc1nc(Nc2ccc(OC)cc2)c2ncn(C(C)C)c2n1 Show InChI InChI=1S/C21H25N5O2/c1-6-21(4,27)12-11-17-24-19(23-15-7-9-16(28-5)10-8-15)18-20(25-17)26(13-22-18)14(2)3/h7-10,13-14,27H,6H2,1-5H3,(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
Patents
Similars
| PubMed
| n/a | n/a | 300 | n/a | n/a | n/a | n/a | n/a | n/a |
Institut Curie
Curated by ChEMBL
| Assay Description
Compound was tested for its inhibitory activity against cyclin-dependent kinase 5 |
J Med Chem 43: 4098-108 (2000)
BindingDB Entry DOI: 10.7270/Q24B321Q |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 1
(Homo sapiens (Human)) | BDBM50093433
((R){1-[9-Isopropyl-6-(3-methoxy-benzylamino)-9H-pu...)Show SMILES COc1cccc(CNc2nc(nc3n(cnc23)C(C)C)N2CCC[C@@H]2CO)c1 |r| Show InChI InChI=1S/C21H28N6O2/c1-14(2)27-13-23-18-19(22-11-15-6-4-8-17(10-15)29-3)24-21(25-20(18)27)26-9-5-7-16(26)12-28/h4,6,8,10,13-14,16,28H,5,7,9,11-12H2,1-3H3,(H,22,24,25) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 300 | n/a | n/a | n/a | n/a | n/a | n/a |
Institut Curie
Curated by ChEMBL
| Assay Description
Inhibition of cyclin-dependent kinase 1 |
J Med Chem 43: 4098-108 (2000)
BindingDB Entry DOI: 10.7270/Q24B321Q |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 1
(Homo sapiens (Human)) | BDBM50093424
((R){1-[6-(4-Bromo-phenylamino)-9-isopropyl-9H-puri...)Show SMILES CC(C)n1cnc2c(Nc3ccc(Br)cc3)nc(nc12)N1CCCC1CO Show InChI InChI=1S/C19H23BrN6O/c1-12(2)26-11-21-16-17(22-14-7-5-13(20)6-8-14)23-19(24-18(16)26)25-9-3-4-15(25)10-27/h5-8,11-12,15,27H,3-4,9-10H2,1-2H3,(H,22,23,24) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 300 | n/a | n/a | n/a | n/a | n/a | n/a |
Institut Curie
Curated by ChEMBL
| Assay Description
Inhibition of Cyclin-dependent kinase 1 (CDK1) |
J Med Chem 43: 4098-108 (2000)
BindingDB Entry DOI: 10.7270/Q24B321Q |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 1
(Homo sapiens (Human)) | BDBM50093432
((R){1-[6-(3,5-Dimethoxy-benzylamino)-9-isopropyl-9...)Show SMILES COc1cc(CNc2nc(nc3n(cnc23)C(C)C)N2CCC[C@@H]2CO)cc(OC)c1 |r| Show InChI InChI=1S/C22H30N6O3/c1-14(2)28-13-24-19-20(23-11-15-8-17(30-3)10-18(9-15)31-4)25-22(26-21(19)28)27-7-5-6-16(27)12-29/h8-10,13-14,16,29H,5-7,11-12H2,1-4H3,(H,23,25,26) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 300 | n/a | n/a | n/a | n/a | n/a | n/a |
Institut Curie
Curated by ChEMBL
| Assay Description
Inhibition of cyclin-dependent kinase 1 |
J Med Chem 43: 4098-108 (2000)
BindingDB Entry DOI: 10.7270/Q24B321Q |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 5
(Homo sapiens (Human)) | BDBM7577
(1-{6-[(1,3-benzodioxol-5-ylmethyl)amino]-9-isoprop...)Show SMILES CCC(C)(O)C#Cc1nc(NCc2ccc3OCOc3c2)c2ncn(C(C)C)c2n1 Show InChI InChI=1S/C22H25N5O3/c1-5-22(4,28)9-8-18-25-20(19-21(26-18)27(12-24-19)14(2)3)23-11-15-6-7-16-17(10-15)30-13-29-16/h6-7,10,12,14,28H,5,11,13H2,1-4H3,(H,23,25,26) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 300 | n/a | n/a | n/a | n/a | n/a | n/a |
Institut Curie
Curated by ChEMBL
| Assay Description
Compound was tested for its inhibitory activity against cyclin-dependent kinase 5 |
J Med Chem 43: 4098-108 (2000)
BindingDB Entry DOI: 10.7270/Q24B321Q |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 1
(Homo sapiens (Human)) | BDBM7578
(1-(6-{[(3,4-dimethoxyphenyl)methyl]amino}-9-(propa...)Show SMILES CCC(C)(O)C#Cc1nc(NCc2ccc(OC)c(OC)c2)c2ncn(C(C)C)c2n1 Show InChI InChI=1S/C23H29N5O3/c1-7-23(4,29)11-10-19-26-21(20-22(27-19)28(14-25-20)15(2)3)24-13-16-8-9-17(30-5)18(12-16)31-6/h8-9,12,14-15,29H,7,13H2,1-6H3,(H,24,26,27) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 300 | n/a | n/a | n/a | n/a | n/a | n/a |
Institut Curie
Curated by ChEMBL
| Assay Description
Inhibition of Cyclin-dependent kinase 1 (CDK1) |
J Med Chem 43: 4098-108 (2000)
BindingDB Entry DOI: 10.7270/Q24B321Q |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 1
(Homo sapiens (Human)) | BDBM50093415
((R){1-[6-(3-Bromo-benzylamino)-9-isopropyl-9H-puri...)Show SMILES CC(C)n1cnc2c(NCc3cccc(Br)c3)nc(nc12)N1CCC[C@@H]1CO |r| Show InChI InChI=1S/C20H25BrN6O/c1-13(2)27-12-23-17-18(22-10-14-5-3-6-15(21)9-14)24-20(25-19(17)27)26-8-4-7-16(26)11-28/h3,5-6,9,12-13,16,28H,4,7-8,10-11H2,1-2H3,(H,22,24,25) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 330 | n/a | n/a | n/a | n/a | n/a | n/a |
Institut Curie
Curated by ChEMBL
| Assay Description
Inhibition of Cyclin-dependent kinase 1 (CDK1) |
J Med Chem 43: 4098-108 (2000)
BindingDB Entry DOI: 10.7270/Q24B321Q |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 1
(Homo sapiens (Human)) | BDBM50093429
(6-(6-Benzylamino-9-isopropyl-9H-purin-2-yl)-hex-5-...)Show InChI InChI=1S/C21H25N5O/c1-16(2)26-15-23-19-20(22-14-17-10-6-5-7-11-17)24-18(25-21(19)26)12-8-3-4-9-13-27/h5-7,10-11,15-16,27H,3-4,9,13-14H2,1-2H3,(H,22,24,25) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 330 | n/a | n/a | n/a | n/a | n/a | n/a |
Institut Curie
Curated by ChEMBL
| Assay Description
Inhibition of Cyclin-dependent kinase 1 (CDK1) |
J Med Chem 43: 4098-108 (2000)
BindingDB Entry DOI: 10.7270/Q24B321Q |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 1
(Homo sapiens (Human)) | BDBM50093426
((R){1-[6-(4-Chloro-benzylamino)-9-isopropyl-9H-pur...)Show SMILES CC(C)n1cnc2c(NCc3ccc(Cl)cc3)nc(nc12)N1CCC[C@@H]1CO |r| Show InChI InChI=1S/C20H25ClN6O/c1-13(2)27-12-23-17-18(22-10-14-5-7-15(21)8-6-14)24-20(25-19(17)27)26-9-3-4-16(26)11-28/h5-8,12-13,16,28H,3-4,9-11H2,1-2H3,(H,22,24,25) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 330 | n/a | n/a | n/a | n/a | n/a | n/a |
Institut Curie
Curated by ChEMBL
| Assay Description
Inhibition of Cyclin-dependent kinase 1 (CDK1) |
J Med Chem 43: 4098-108 (2000)
BindingDB Entry DOI: 10.7270/Q24B321Q |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 5
(Homo sapiens (Human)) | BDBM7555
(1-[6-(benzylamino)-9-(propan-2-yl)-9H-purin-2-yl]-...)Show SMILES CCC(C)(O)C#Cc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1 Show InChI InChI=1S/C21H25N5O/c1-5-21(4,27)12-11-17-24-19(22-13-16-9-7-6-8-10-16)18-20(25-17)26(14-23-18)15(2)3/h6-10,14-15,27H,5,13H2,1-4H3,(H,22,24,25) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 340 | n/a | n/a | n/a | n/a | n/a | n/a |
Institut Curie
Curated by ChEMBL
| Assay Description
Compound was tested for its inhibitory activity against cyclin-dependent kinase 5 |
J Med Chem 43: 4098-108 (2000)
BindingDB Entry DOI: 10.7270/Q24B321Q |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 5
(Homo sapiens (Human)) | BDBM50093389
(4-(6-Butylamino-9-isopropyl-9H-purin-2-yl)-2-methy...)Show SMILES CCCCNc1nc(nc2n(cnc12)C(C)C)C#CC(C)(O)Cc1ccccc1 Show InChI InChI=1S/C23H29N5O/c1-5-6-14-24-21-20-22(28(16-25-20)17(2)3)27-19(26-21)12-13-23(4,29)15-18-10-8-7-9-11-18/h7-11,16-17,29H,5-6,14-15H2,1-4H3,(H,24,26,27) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 340 | n/a | n/a | n/a | n/a | n/a | n/a |
Institut Curie
Curated by ChEMBL
| Assay Description
Compound was tested for its inhibitory activity against cyclin-dependent kinase 5 |
J Med Chem 43: 4098-108 (2000)
BindingDB Entry DOI: 10.7270/Q24B321Q |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 1
(Homo sapiens (Human)) | BDBM50093401
((R)(1-{6-[(Benzo[1,3]dioxol-5-ylmethyl)-amino]-9-i...)Show SMILES CC(C)n1cnc2c(NCc3ccc4OCOc4c3)nc(nc12)N1CCC[C@@H]1CO |r| Show InChI InChI=1S/C21H26N6O3/c1-13(2)27-11-23-18-19(22-9-14-5-6-16-17(8-14)30-12-29-16)24-21(25-20(18)27)26-7-3-4-15(26)10-28/h5-6,8,11,13,15,28H,3-4,7,9-10,12H2,1-2H3,(H,22,24,25) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 350 | n/a | n/a | n/a | n/a | n/a | n/a |
Institut Curie
Curated by ChEMBL
| Assay Description
Inhibition of cyclin-dependent kinase 1 |
J Med Chem 43: 4098-108 (2000)
BindingDB Entry DOI: 10.7270/Q24B321Q |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 1
(Homo sapiens (Human)) | BDBM7556
(4-[6-(benzylamino)-9-(propan-2-yl)-9H-purin-2-yl]b...)Show InChI InChI=1S/C19H21N5O/c1-14(2)24-13-21-17-18(20-12-15-8-4-3-5-9-15)22-16(23-19(17)24)10-6-7-11-25/h3-5,8-9,13-14,25H,7,11-12H2,1-2H3,(H,20,22,23) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 350 | n/a | n/a | n/a | n/a | n/a | n/a |
Institut Curie
Curated by ChEMBL
| Assay Description
Inhibition of Cyclin-dependent kinase 1 (CDK1) |
J Med Chem 43: 4098-108 (2000)
BindingDB Entry DOI: 10.7270/Q24B321Q |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 1
(Homo sapiens (Human)) | BDBM50093410
(1-{9-Isopropyl-6-[2-(4-methoxy-phenyl)-ethylamino]...)Show SMILES CCC(C)(O)C#Cc1nc(NCCc2ccc(OC)cc2)c2ncn(C(C)C)c2n1 Show InChI InChI=1S/C23H29N5O2/c1-6-23(4,29)13-11-19-26-21(20-22(27-19)28(15-25-20)16(2)3)24-14-12-17-7-9-18(30-5)10-8-17/h7-10,15-16,29H,6,12,14H2,1-5H3,(H,24,26,27) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 400 | n/a | n/a | n/a | n/a | n/a | n/a |
Institut Curie
Curated by ChEMBL
| Assay Description
Inhibition of Cyclin-dependent kinase 1 (CDK1) |
J Med Chem 43: 4098-108 (2000)
BindingDB Entry DOI: 10.7270/Q24B321Q |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 1
(Homo sapiens (Human)) | BDBM7580
(1-(6-anilino-9-isopropyl-9H-purin-2-yl)-3-methylpe...)Show SMILES CCC(C)(O)C#Cc1nc(Nc2ccccc2)c2ncn(C(C)C)c2n1 Show InChI InChI=1S/C20H23N5O/c1-5-20(4,26)12-11-16-23-18(22-15-9-7-6-8-10-15)17-19(24-16)25(13-21-17)14(2)3/h6-10,13-14,26H,5H2,1-4H3,(H,22,23,24) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 400 | n/a | n/a | n/a | n/a | n/a | n/a |
Institut Curie
Curated by ChEMBL
| Assay Description
Inhibition of Cyclin-dependent kinase 1 (CDK1) |
J Med Chem 43: 4098-108 (2000)
BindingDB Entry DOI: 10.7270/Q24B321Q |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 5
(Homo sapiens (Human)) | BDBM7582
(1-{6-[(4-ethoxyphenyl)amino]-9-(propan-2-yl)-9H-pu...)Show SMILES CCOc1ccc(Nc2nc(nc3n(cnc23)C(C)C)C#CC(C)(O)CC)cc1 Show InChI InChI=1S/C22H27N5O2/c1-6-22(5,28)13-12-18-25-20(19-21(26-18)27(14-23-19)15(3)4)24-16-8-10-17(11-9-16)29-7-2/h8-11,14-15,28H,6-7H2,1-5H3,(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
| PubMed
| n/a | n/a | 400 | n/a | n/a | n/a | n/a | n/a | n/a |
Institut Curie
Curated by ChEMBL
| Assay Description
Compound was tested for its inhibitory activity against cyclin-dependent kinase 5 |
J Med Chem 43: 4098-108 (2000)
BindingDB Entry DOI: 10.7270/Q24B321Q |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 5
(Homo sapiens (Human)) | BDBM7523
(2,6,9-Trisubstituted purine deriv. 18 | 2-{[6-(ben...)Show InChI InChI=1S/C20H28N6O/c1-4-8-16(12-27)23-20-24-18(21-11-15-9-6-5-7-10-15)17-19(25-20)26(13-22-17)14(2)3/h5-7,9-10,13-14,16,27H,4,8,11-12H2,1-3H3,(H2,21,23,24,25) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 400 | n/a | n/a | n/a | n/a | n/a | n/a |
Institut Curie
Curated by ChEMBL
| Assay Description
Compound was tested for its inhibitory activity against cyclin-dependent kinase 5 |
J Med Chem 43: 4098-108 (2000)
BindingDB Entry DOI: 10.7270/Q24B321Q |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 5
(Homo sapiens (Human)) | BDBM7573
(1-(6-{[(4-methoxyphenyl)methyl]amino}-9-(propan-2-...)Show SMILES CCC(C)(O)C#Cc1nc(NCc2ccc(OC)cc2)c2ncn(C(C)C)c2n1 Show InChI InChI=1S/C22H27N5O2/c1-6-22(4,28)12-11-18-25-20(19-21(26-18)27(14-24-19)15(2)3)23-13-16-7-9-17(29-5)10-8-16/h7-10,14-15,28H,6,13H2,1-5H3,(H,23,25,26) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 400 | n/a | n/a | n/a | n/a | n/a | n/a |
Institut Curie
Curated by ChEMBL
| Assay Description
Compound was tested for its inhibitory activity against cyclin-dependent kinase 5 |
J Med Chem 43: 4098-108 (2000)
BindingDB Entry DOI: 10.7270/Q24B321Q |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 1
(Homo sapiens (Human)) | BDBM50093396
((R){1-[6-(3,4-Dichloro-benzylamino)-9-isopropyl-9H...)Show SMILES CC(C)n1cnc2c(NCc3ccc(Cl)c(Cl)c3)nc(nc12)N1CCC[C@@H]1CO |r| Show InChI InChI=1S/C20H24Cl2N6O/c1-12(2)28-11-24-17-18(23-9-13-5-6-15(21)16(22)8-13)25-20(26-19(17)28)27-7-3-4-14(27)10-29/h5-6,8,11-12,14,29H,3-4,7,9-10H2,1-2H3,(H,23,25,26) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 430 | n/a | n/a | n/a | n/a | n/a | n/a |
Institut Curie
Curated by ChEMBL
| Assay Description
Inhibition of Cyclin-dependent kinase 1 (CDK1) |
J Med Chem 43: 4098-108 (2000)
BindingDB Entry DOI: 10.7270/Q24B321Q |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 1
(Homo sapiens (Human)) | BDBM50093397
((R){1-[6-(3-Chloro-phenylamino)-9-isopropyl-9H-pur...)Show SMILES CC(C)n1cnc2c(Nc3cccc(Cl)c3)nc(nc12)N1CCC[C@@H]1CO Show InChI InChI=1S/C19H23ClN6O/c1-12(2)26-11-21-16-17(22-14-6-3-5-13(20)9-14)23-19(24-18(16)26)25-8-4-7-15(25)10-27/h3,5-6,9,11-12,15,27H,4,7-8,10H2,1-2H3,(H,22,23,24) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 430 | n/a | n/a | n/a | n/a | n/a | n/a |
Institut Curie
Curated by ChEMBL
| Assay Description
Inhibition of Cyclin-dependent kinase 1 (CDK1) |
J Med Chem 43: 4098-108 (2000)
BindingDB Entry DOI: 10.7270/Q24B321Q |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 1
(Homo sapiens (Human)) | BDBM7575
(1-(6-{[(3,4-dichlorophenyl)methyl]amino}-9-(propan...)Show SMILES CCC(C)(O)C#Cc1nc(NCc2ccc(Cl)c(Cl)c2)c2ncn(C(C)C)c2n1 Show InChI InChI=1S/C21H23Cl2N5O/c1-5-21(4,29)9-8-17-26-19(18-20(27-17)28(12-25-18)13(2)3)24-11-14-6-7-15(22)16(23)10-14/h6-7,10,12-13,29H,5,11H2,1-4H3,(H,24,26,27) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 430 | n/a | n/a | n/a | n/a | n/a | n/a |
Institut Curie
Curated by ChEMBL
| Assay Description
Inhibition of cyclin-dependent kinase 1 |
J Med Chem 43: 4098-108 (2000)
BindingDB Entry DOI: 10.7270/Q24B321Q |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 1
(Homo sapiens (Human)) | BDBM50093400
((R){1-[6-(3,4-Dichloro-phenylamino)-9-isopropyl-9H...)Show SMILES CC(C)n1cnc2c(Nc3ccc(Cl)c(Cl)c3)nc(nc12)N1CCC[C@@H]1CO |r| Show InChI InChI=1S/C19H22Cl2N6O/c1-11(2)27-10-22-16-17(23-12-5-6-14(20)15(21)8-12)24-19(25-18(16)27)26-7-3-4-13(26)9-28/h5-6,8,10-11,13,28H,3-4,7,9H2,1-2H3,(H,23,24,25) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 430 | n/a | n/a | n/a | n/a | n/a | n/a |
Institut Curie
Curated by ChEMBL
| Assay Description
Inhibition of Cyclin-dependent kinase 1 (CDK1) |
J Med Chem 43: 4098-108 (2000)
BindingDB Entry DOI: 10.7270/Q24B321Q |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 1
(Homo sapiens (Human)) | BDBM7533
((2R)-2-[[6-(benzylamino)-9-isopropyl-purin-2-yl]am...)Show SMILES CC[C@H](CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1 |r| Show InChI InChI=1S/C19H26N6O/c1-4-15(11-26)22-19-23-17(20-10-14-8-6-5-7-9-14)16-18(24-19)25(12-21-16)13(2)3/h5-9,12-13,15,26H,4,10-11H2,1-3H3,(H2,20,22,23,24)/t15-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 450 | n/a | n/a | n/a | n/a | n/a | n/a |
Institut Curie
Curated by ChEMBL
| Assay Description
Inhibition of Cyclin-dependent kinase 1 (CDK1) |
J Med Chem 43: 4098-108 (2000)
BindingDB Entry DOI: 10.7270/Q24B321Q |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 1
(Homo sapiens (Human)) | BDBM7526
(2,6,9-Trisubstituted purine deriv. 21 | CHEMBL3085...)Show SMILES CC(C)n1cnc2c(NCc3cccc(I)c3)nc(nc12)N1CCC[C@@H]1CO |r| Show InChI InChI=1S/C20H25IN6O/c1-13(2)27-12-23-17-18(22-10-14-5-3-6-15(21)9-14)24-20(25-19(17)27)26-8-4-7-16(26)11-28/h3,5-6,9,12-13,16,28H,4,7-8,10-11H2,1-2H3,(H,22,24,25)/t16-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 450 | n/a | n/a | n/a | n/a | n/a | n/a |
Institut Curie
Curated by ChEMBL
| Assay Description
Inhibition of Cyclin-dependent kinase 1 (CDK1) |
J Med Chem 43: 4098-108 (2000)
BindingDB Entry DOI: 10.7270/Q24B321Q |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 5
(Homo sapiens (Human)) | BDBM7526
(2,6,9-Trisubstituted purine deriv. 21 | CHEMBL3085...)Show SMILES CC(C)n1cnc2c(NCc3cccc(I)c3)nc(nc12)N1CCC[C@@H]1CO |r| Show InChI InChI=1S/C20H25IN6O/c1-13(2)27-12-23-17-18(22-10-14-5-3-6-15(21)9-14)24-20(25-19(17)27)26-8-4-7-16(26)11-28/h3,5-6,9,12-13,16,28H,4,7-8,10-11H2,1-2H3,(H,22,24,25)/t16-/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
| n/a | n/a | 450 | n/a | n/a | n/a | n/a | n/a | n/a |
Institut Curie
Curated by ChEMBL
| Assay Description
Compound was tested for its inhibitory activity against cyclin-dependent kinase 5 |
J Med Chem 43: 4098-108 (2000)
BindingDB Entry DOI: 10.7270/Q24B321Q |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 5
(Homo sapiens (Human)) | BDBM7583
(1-{6-[(3,4-dichlorophenyl)amino]-9-(propan-2-yl)-9...)Show SMILES CCC(C)(O)C#Cc1nc(Nc2ccc(Cl)c(Cl)c2)c2ncn(C(C)C)c2n1 Show InChI InChI=1S/C20H21Cl2N5O/c1-5-20(4,28)9-8-16-25-18(24-13-6-7-14(21)15(22)10-13)17-19(26-16)27(11-23-17)12(2)3/h6-7,10-12,28H,5H2,1-4H3,(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
Patents
Similars
| PubMed
| n/a | n/a | 500 | n/a | n/a | n/a | n/a | n/a | n/a |
Institut Curie
Curated by ChEMBL
| Assay Description
Compound was tested for its inhibitory activity against cyclin-dependent kinase 5 |
J Med Chem 43: 4098-108 (2000)
BindingDB Entry DOI: 10.7270/Q24B321Q |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 1
(Homo sapiens (Human)) | BDBM7557
(1-[6-(benzylamino)-9-(propan-2-yl)-9H-purin-2-yl]p...)Show InChI InChI=1S/C20H23N5O/c1-4-16(26)10-11-17-23-19(21-12-15-8-6-5-7-9-15)18-20(24-17)25(13-22-18)14(2)3/h5-9,13-14,16,26H,4,12H2,1-3H3,(H,21,23,24) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 500 | n/a | n/a | n/a | n/a | n/a | n/a |
Institut Curie
Curated by ChEMBL
| Assay Description
Inhibition of cyclin-dependent kinase 1 |
J Med Chem 43: 4098-108 (2000)
BindingDB Entry DOI: 10.7270/Q24B321Q |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 1
(Homo sapiens (Human)) | BDBM50093418
(1-[9-Isopropyl-6-(4-methoxy-benzylamino)-9H-purin-...)Show SMILES COc1ccc(CNc2nc(nc3n(cnc23)C(C)C)C#CC2(O)CCCCCC2)cc1 Show InChI InChI=1S/C25H31N5O2/c1-18(2)30-17-27-22-23(26-16-19-8-10-20(32-3)11-9-19)28-21(29-24(22)30)12-15-25(31)13-6-4-5-7-14-25/h8-11,17-18,31H,4-7,13-14,16H2,1-3H3,(H,26,28,29) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 500 | n/a | n/a | n/a | n/a | n/a | n/a |
Institut Curie
Curated by ChEMBL
| Assay Description
Inhibition of Cyclin-dependent kinase 1 (CDK1) |
J Med Chem 43: 4098-108 (2000)
BindingDB Entry DOI: 10.7270/Q24B321Q |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 5
(Homo sapiens (Human)) | BDBM7584
(1-{6-[(3-chlorophenyl)amino]-9-(propan-2-yl)-9H-pu...)Show SMILES CCC(C)(O)C#Cc1nc(Nc2cccc(Cl)c2)c2ncn(C(C)C)c2n1 Show InChI InChI=1S/C20H22ClN5O/c1-5-20(4,27)10-9-16-24-18(23-15-8-6-7-14(21)11-15)17-19(25-16)26(12-22-17)13(2)3/h6-8,11-13,27H,5H2,1-4H3,(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
Patents
Similars
| PubMed
| n/a | n/a | 500 | n/a | n/a | n/a | n/a | n/a | n/a |
Institut Curie
Curated by ChEMBL
| Assay Description
Compound was tested for its inhibitory activity against cyclin-dependent kinase 5 |
J Med Chem 43: 4098-108 (2000)
BindingDB Entry DOI: 10.7270/Q24B321Q |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 5
(Homo sapiens (Human)) | BDBM7575
(1-(6-{[(3,4-dichlorophenyl)methyl]amino}-9-(propan...)Show SMILES CCC(C)(O)C#Cc1nc(NCc2ccc(Cl)c(Cl)c2)c2ncn(C(C)C)c2n1 Show InChI InChI=1S/C21H23Cl2N5O/c1-5-21(4,29)9-8-17-26-19(18-20(27-17)28(12-25-18)13(2)3)24-11-14-6-7-15(22)16(23)10-14/h6-7,10,12-13,29H,5,11H2,1-4H3,(H,24,26,27) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 500 | n/a | n/a | n/a | n/a | n/a | n/a |
Institut Curie
Curated by ChEMBL
| Assay Description
Compound was tested for its inhibitory activity against cyclin-dependent kinase 5 |
J Med Chem 43: 4098-108 (2000)
BindingDB Entry DOI: 10.7270/Q24B321Q |
More data for this
Ligand-Target Pair | |
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