Found 108 hits with Last Name = 'joly' and Initial = 'a' 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 |
|---|
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50175297
(CHEMBL3810245)Show SMILES CC(c1nc(c[nH]1)-n1ccc(NC(=O)c2cscn2)cc1=O)c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C21H16F3N5O2S/c1-12(13-3-2-4-14(7-13)21(22,23)24)19-25-9-17(28-19)29-6-5-15(8-18(29)30)27-20(31)16-10-32-11-26-16/h2-12H,1H3,(H,25,28)(H,27,31) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 31 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim (Canada) Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C9 (unknown origin) |
ACS Med Chem Lett 7: 525-30 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00064
BindingDB Entry DOI: 10.7270/Q24B337T |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50175302
(CHEMBL3808401)Show SMILES CC(C)CC(O)(c1nc(c[nH]1)-n1ccc(NC(=O)c2cscn2)cc1=O)c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C24H22F3N5O3S/c1-14(2)10-23(35,15-4-3-5-16(8-15)24(25,26)27)22-28-11-19(31-22)32-7-6-17(9-20(32)33)30-21(34)18-12-36-13-29-18/h3-9,11-14,35H,10H2,1-2H3,(H,28,31)(H,30,34) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 150 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim (Canada) Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C9 (unknown origin) |
ACS Med Chem Lett 7: 525-30 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00064
BindingDB Entry DOI: 10.7270/Q24B337T |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C8
(Homo sapiens (Human)) | BDBM50175303
(CHEMBL3810042)Show SMILES CC(C)OC(c1nc(c[nH]1)-n1ccc(NC(=O)c2cscn2)cc1=O)c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C23H20F3N5O3S/c1-13(2)34-20(14-4-3-5-15(8-14)23(24,25)26)21-27-10-18(30-21)31-7-6-16(9-19(31)32)29-22(33)17-11-35-12-28-17/h3-13,20H,1-2H3,(H,27,30)(H,29,33) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 180 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim (Canada) Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C8 (unknown origin) |
ACS Med Chem Lett 7: 525-30 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00064
BindingDB Entry DOI: 10.7270/Q24B337T |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50437045
(CHEMBL2403225)Show SMILES COc1ccnc(Oc2ccc3n(Cc4ccc(F)cc4F)cnc(=O)c3c2)c1C(F)(F)F Show InChI InChI=1S/C22H14F5N3O3/c1-32-18-6-7-28-21(19(18)22(25,26)27)33-14-4-5-17-15(9-14)20(31)29-11-30(17)10-12-2-3-13(23)8-16(12)24/h2-9,11H,10H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 300 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim (Canada) Ltd
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C19 (unknown origin) |
Bioorg Med Chem Lett 23: 4132-40 (2013)
Article DOI: 10.1016/j.bmcl.2013.05.037
BindingDB Entry DOI: 10.7270/Q21V5GC5 |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1/G1/S-specific cyclin-E2
(Homo sapiens (Human)) | BDBM50113739
(2(bis-(hydroxyethyl)amino)-6-(4-methoxybenzylamino...)Show SMILES COc1ccc(CNc2nc(nc3n(cnc23)C(C)C)N(CCO)CCO)cc1 Show InChI InChI=1S/C20H28N6O3/c1-14(2)26-13-22-17-18(21-12-15-4-6-16(29-3)7-5-15)23-20(24-19(17)26)25(8-10-27)9-11-28/h4-7,13-14,27-28H,8-12H2,1-3H3,(H,21,23,24) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
| n/a | n/a | 500 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory concentration against cyclin dependent kinase-2 (CDK2)/Cyclin E |
Bioorg Med Chem Lett 7: 2697-2702 (1997)
Article DOI: 10.1016/S0960-894X(97)10076-2
BindingDB Entry DOI: 10.7270/Q2FJ2H8Q |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1/G1/S-specific cyclin-E2
(Homo sapiens (Human)) | BDBM50290586
(2-[9-Isopropyl-6-(4-methoxy-benzylamino)-9H-purin-...)Show SMILES COc1ccc(CNc2nc(NC(C)(O)CO)nc3n(cnc23)C(C)C)cc1 Show InChI InChI=1S/C19H26N6O3/c1-12(2)25-11-21-15-16(20-9-13-5-7-14(28-4)8-6-13)22-18(23-17(15)25)24-19(3,27)10-26/h5-8,11-12,26-27H,9-10H2,1-4H3,(H2,20,22,23,24) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 500 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory concentration against cyclin dependent kinase-2 (CDK2)/Cyclin E |
Bioorg Med Chem Lett 7: 2697-2702 (1997)
Article DOI: 10.1016/S0960-894X(97)10076-2
BindingDB Entry DOI: 10.7270/Q2FJ2H8Q |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1/G1/S-specific cyclin-E2
(Homo sapiens (Human)) | BDBM50290560
(2-[[6-(Biphenyl-4-ylamino)-9-isopropyl-9H-purin-2-...)Show SMILES CC(C)n1cnc2c(Nc3ccc(cc3)-c3ccccc3)nc(nc12)N(CCO)CCO Show InChI InChI=1S/C24H28N6O2/c1-17(2)30-16-25-21-22(27-24(28-23(21)30)29(12-14-31)13-15-32)26-20-10-8-19(9-11-20)18-6-4-3-5-7-18/h3-11,16-17,31-32H,12-15H2,1-2H3,(H,26,27,28) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 600 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory concentration against cyclin dependent kinase-2 (CDK2)/Cyclin E |
Bioorg Med Chem Lett 7: 2697-2702 (1997)
Article DOI: 10.1016/S0960-894X(97)10076-2
BindingDB Entry DOI: 10.7270/Q2FJ2H8Q |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1/G1/S-specific cyclin-E2
(Homo sapiens (Human)) | BDBM50290593
(3-{6-[(Biphenyl-4-ylmethyl)-amino]-9-isopropyl-9H-...)Show SMILES CC(C)n1cnc2c(NCc3ccc(cc3)-c3ccccc3)nc(NCC(O)CO)nc12 Show InChI InChI=1S/C24H28N6O2/c1-16(2)30-15-27-21-22(28-24(29-23(21)30)26-13-20(32)14-31)25-12-17-8-10-19(11-9-17)18-6-4-3-5-7-18/h3-11,15-16,20,31-32H,12-14H2,1-2H3,(H2,25,26,28,29) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 600 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory concentration against cyclin dependent kinase-2 (CDK2)/Cyclin E |
Bioorg Med Chem Lett 7: 2697-2702 (1997)
Article DOI: 10.1016/S0960-894X(97)10076-2
BindingDB Entry DOI: 10.7270/Q2FJ2H8Q |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1/G1/S-specific cyclin-E2
(Homo sapiens (Human)) | BDBM50290609
(2-{(2-Hydroxy-ethyl)-[9-isopropyl-6-(4-thiophen-2-...)Show SMILES CC(C)n1cnc2c(NCc3ccc(cc3)-c3cccs3)nc(nc12)N(CCO)CCO Show InChI InChI=1S/C23H28N6O2S/c1-16(2)29-15-25-20-21(26-23(27-22(20)29)28(9-11-30)10-12-31)24-14-17-5-7-18(8-6-17)19-4-3-13-32-19/h3-8,13,15-16,30-31H,9-12,14H2,1-2H3,(H,24,26,27) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 600 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory concentration against cyclin dependent kinase-2 (CDK2)/Cyclin E |
Bioorg Med Chem Lett 7: 2697-2702 (1997)
Article DOI: 10.1016/S0960-894X(97)10076-2
BindingDB Entry DOI: 10.7270/Q2FJ2H8Q |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1/G1/S-specific cyclin-E2
(Homo sapiens (Human)) | BDBM50290623
(2-[{6-[(Benzo[1,3]dioxol-5-ylmethyl)-amino]-9-isop...)Show SMILES CC(C)n1cnc2c(NCc3ccc4OCOc4c3)nc(nc12)N(CCO)CCO Show InChI InChI=1S/C20H26N6O4/c1-13(2)26-11-22-17-18(21-10-14-3-4-15-16(9-14)30-12-29-15)23-20(24-19(17)26)25(5-7-27)6-8-28/h3-4,9,11,13,27-28H,5-8,10,12H2,1-2H3,(H,21,23,24) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 800 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory concentration against cyclin dependent kinase-2 (CDK2)/Cyclin E |
Bioorg Med Chem Lett 7: 2697-2702 (1997)
Article DOI: 10.1016/S0960-894X(97)10076-2
BindingDB Entry DOI: 10.7270/Q2FJ2H8Q |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1/G1/S-specific cyclin-E2
(Homo sapiens (Human)) | BDBM50290602
(3-{[9-Isopropyl-6-(4-methoxy-benzylamino)-9H-purin...)Show SMILES COc1ccc(CNc2nc(nc3n(cnc23)C(C)C)N(CC(C)C#N)Cc2cccnc2)cc1 Show InChI InChI=1S/C26H30N8O/c1-18(2)34-17-30-23-24(29-14-20-7-9-22(35-4)10-8-20)31-26(32-25(23)34)33(15-19(3)12-27)16-21-6-5-11-28-13-21/h5-11,13,17-19H,14-16H2,1-4H3,(H,29,31,32) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory concentration against cyclin dependent kinase-2 (CDK2)/Cyclin E |
Bioorg Med Chem Lett 7: 2697-2702 (1997)
Article DOI: 10.1016/S0960-894X(97)10076-2
BindingDB Entry DOI: 10.7270/Q2FJ2H8Q |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1/G1/S-specific cyclin-E2
(Homo sapiens (Human)) | BDBM50290581
(2-[[6-(4-Bromo-phenylamino)-9-isopropyl-9H-purin-2...)Show SMILES CC(C)n1cnc2c(Nc3ccc(Br)cc3)nc(nc12)N(CCO)CCO Show InChI InChI=1S/C18H23BrN6O2/c1-12(2)25-11-20-15-16(21-14-5-3-13(19)4-6-14)22-18(23-17(15)25)24(7-9-26)8-10-27/h3-6,11-12,26-27H,7-10H2,1-2H3,(H,21,22,23) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory concentration against cyclin dependent kinase-2 (CDK2)/Cyclin E |
Bioorg Med Chem Lett 7: 2697-2702 (1997)
Article DOI: 10.1016/S0960-894X(97)10076-2
BindingDB Entry DOI: 10.7270/Q2FJ2H8Q |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1/G1/S-specific cyclin-E2
(Homo sapiens (Human)) | BDBM50290599
((4-Chloro-benzyl)-(2-chloro-9-trifluoromethyl-9H-p...)Show InChI InChI=1S/C13H8Cl2F3N5/c14-8-3-1-7(2-4-8)5-19-10-9-11(22-12(15)21-10)23(6-20-9)13(16,17)18/h1-4,6H,5H2,(H,19,21,22) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory concentration against cyclin dependent kinase-2 (CDK2)/Cyclin E |
Bioorg Med Chem Lett 7: 2697-2702 (1997)
Article DOI: 10.1016/S0960-894X(97)10076-2
BindingDB Entry DOI: 10.7270/Q2FJ2H8Q |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1/G1/S-specific cyclin-E2
(Homo sapiens (Human)) | BDBM50290596
(2-Amino-1-[9-isopropyl-6-(4-methoxy-benzylamino)-9...)Show SMILES COc1ccc(CNc2nc(NC(O)CN)nc3n(cnc23)C(C)C)cc1 Show InChI InChI=1S/C18H25N7O2/c1-11(2)25-10-21-15-16(20-9-12-4-6-13(27-3)7-5-12)23-18(24-17(15)25)22-14(26)8-19/h4-7,10-11,14,26H,8-9,19H2,1-3H3,(H2,20,22,23,24) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory concentration against cyclin dependent kinase-2 (CDK2)/Cyclin E |
Bioorg Med Chem Lett 7: 2697-2702 (1997)
Article DOI: 10.1016/S0960-894X(97)10076-2
BindingDB Entry DOI: 10.7270/Q2FJ2H8Q |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1/G1/S-specific cyclin-E2
(Homo sapiens (Human)) | BDBM50113740
(2-{Benzyl-[9-isopropyl-6-(4-methoxy-benzylamino)-9...)Show SMILES COc1ccc(CNc2nc(nc3n(cnc23)C(C)C)N(CCO)Cc2ccccc2)cc1 Show InChI InChI=1S/C25H30N6O2/c1-18(2)31-17-27-22-23(26-15-19-9-11-21(33-3)12-10-19)28-25(29-24(22)31)30(13-14-32)16-20-7-5-4-6-8-20/h4-12,17-18,32H,13-16H2,1-3H3,(H,26,28,29) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
| n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory concentration against cyclin dependent kinase-2 (CDK2)/Cyclin E |
Bioorg Med Chem Lett 7: 2697-2702 (1997)
Article DOI: 10.1016/S0960-894X(97)10076-2
BindingDB Entry DOI: 10.7270/Q2FJ2H8Q |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1/G1/S-specific cyclin-E2
(Homo sapiens (Human)) | BDBM50290600
(2-[9-Isopropyl-6-(4-methoxy-benzylamino)-9H-purin-...)Show SMILES COc1ccc(CNc2nc(NC3CCCCC3O)nc3n(cnc23)C(C)C)cc1 Show InChI InChI=1S/C22H30N6O2/c1-14(2)28-13-24-19-20(23-12-15-8-10-16(30-3)11-9-15)26-22(27-21(19)28)25-17-6-4-5-7-18(17)29/h8-11,13-14,17-18,29H,4-7,12H2,1-3H3,(H2,23,25,26,27) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory concentration against cyclin dependent kinase-2 (CDK2)/Cyclin E |
Bioorg Med Chem Lett 7: 2697-2702 (1997)
Article DOI: 10.1016/S0960-894X(97)10076-2
BindingDB Entry DOI: 10.7270/Q2FJ2H8Q |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1/G1/S-specific cyclin-E2
(Homo sapiens (Human)) | BDBM50290613
(2-[2-[Bis-(2-hydroxy-ethyl)-amino]-6-(4-methoxy-be...)Show SMILES COc1ccc(CNc2nc(nc3n(CCO)cnc23)N(CCO)CCO)cc1 Show InChI InChI=1S/C19H26N6O4/c1-29-15-4-2-14(3-5-15)12-20-17-16-18(25(8-11-28)13-21-16)23-19(22-17)24(6-9-26)7-10-27/h2-5,13,26-28H,6-12H2,1H3,(H,20,22,23) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory concentration against cyclin dependent kinase-2 (CDK2)/Cyclin E |
Bioorg Med Chem Lett 7: 2697-2702 (1997)
Article DOI: 10.1016/S0960-894X(97)10076-2
BindingDB Entry DOI: 10.7270/Q2FJ2H8Q |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1/G1/S-specific cyclin-E2
(Homo sapiens (Human)) | BDBM50290611
(2-[{6-[(Biphenyl-4-ylmethyl)-amino]-9-isopropyl-9H...)Show SMILES CC(C)n1cnc2c(NCc3ccc(cc3)-c3ccccc3)nc(nc12)N(CCO)CCO Show InChI InChI=1S/C25H30N6O2/c1-18(2)31-17-27-22-23(28-25(29-24(22)31)30(12-14-32)13-15-33)26-16-19-8-10-21(11-9-19)20-6-4-3-5-7-20/h3-11,17-18,32-33H,12-16H2,1-2H3,(H,26,28,29) | PDB
UniProtKB/SwissProt
antibodypedia
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Similars
| Article
| n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory concentration against cyclin dependent kinase-2 (CDK2)/Cyclin E |
Bioorg Med Chem Lett 7: 2697-2702 (1997)
Article DOI: 10.1016/S0960-894X(97)10076-2
BindingDB Entry DOI: 10.7270/Q2FJ2H8Q |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50437044
(CHEMBL2403314)Show SMILES Fc1cc(F)c(Cn2cnc(=O)c3cc(Oc4cccnc4C(F)(F)F)ccc23)c(F)c1 Show InChI InChI=1S/C21H11F6N3O2/c22-11-6-15(23)14(16(24)7-11)9-30-10-29-20(31)13-8-12(3-4-17(13)30)32-18-2-1-5-28-19(18)21(25,26)27/h1-8,10H,9H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
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| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim (Canada) Ltd
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C19 (unknown origin) |
Bioorg Med Chem Lett 23: 4132-40 (2013)
Article DOI: 10.1016/j.bmcl.2013.05.037
BindingDB Entry DOI: 10.7270/Q21V5GC5 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50175303
(CHEMBL3810042)Show SMILES CC(C)OC(c1nc(c[nH]1)-n1ccc(NC(=O)c2cscn2)cc1=O)c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C23H20F3N5O3S/c1-13(2)34-20(14-4-3-5-15(8-14)23(24,25)26)21-27-10-18(30-21)31-7-6-16(9-19(31)32)29-22(33)17-11-35-12-28-17/h3-13,20H,1-2H3,(H,27,30)(H,29,33) | PDB
MMDB
Reactome pathway
KEGG
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B.MOAD
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim (Canada) Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C9 (unknown origin) |
ACS Med Chem Lett 7: 525-30 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00064
BindingDB Entry DOI: 10.7270/Q24B337T |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1/G1/S-specific cyclin-E2
(Homo sapiens (Human)) | BDBM50113727
(2-[9-Isopropyl-6-(4-methoxy-benzylamino)-9H-purin-...)Show InChI InChI=1S/C18H24N6O2/c1-12(2)24-11-21-15-16(22-18(19-8-9-25)23-17(15)24)20-10-13-4-6-14(26-3)7-5-13/h4-7,11-12,25H,8-10H2,1-3H3,(H2,19,20,22,23) | PDB
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Similars
| Article
| n/a | n/a | 1.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory concentration against cyclin dependent kinase-2 (CDK2)/Cyclin E |
Bioorg Med Chem Lett 7: 2697-2702 (1997)
Article DOI: 10.1016/S0960-894X(97)10076-2
BindingDB Entry DOI: 10.7270/Q2FJ2H8Q |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C8
(Homo sapiens (Human)) | BDBM50175304
(CHEMBL3808842)Show SMILES CC(c1cccc(c1)C(F)(F)F)n1cnc(c1)-n1ccc(NC(=O)c2cscn2)cc1=O Show InChI InChI=1S/C21H16F3N5O2S/c1-13(14-3-2-4-15(7-14)21(22,23)24)28-9-18(25-11-28)29-6-5-16(8-19(29)30)27-20(31)17-10-32-12-26-17/h2-13H,1H3,(H,27,31) | PDB
KEGG
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Similars
| Article
PubMed
| n/a | n/a | 1.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim (Canada) Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C8 (unknown origin) |
ACS Med Chem Lett 7: 525-30 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00064
BindingDB Entry DOI: 10.7270/Q24B337T |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50175296
(CHEMBL3809896)Show SMILES FC(F)(F)c1cccc(Cn2cnc(c2)-n2ccc(NC(=O)c3cscn3)cc2=O)c1 Show InChI InChI=1S/C20H14F3N5O2S/c21-20(22,23)14-3-1-2-13(6-14)8-27-9-17(24-11-27)28-5-4-15(7-18(28)29)26-19(30)16-10-31-12-25-16/h1-7,9-12H,8H2,(H,26,30) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim (Canada) Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 (unknown origin) |
ACS Med Chem Lett 7: 525-30 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00064
BindingDB Entry DOI: 10.7270/Q24B337T |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1/G1/S-specific cyclin-E2
(Homo sapiens (Human)) | BDBM50290622
(CHEMBL90860 | N*2*-[2-(1H-Indol-3-yl)-ethyl]-9-iso...)Show SMILES COc1ccc(CNc2nc(NCCc3c[nH]c4ccccc34)nc3n(cnc23)C(C)C)cc1 Show InChI InChI=1S/C26H29N7O/c1-17(2)33-16-30-23-24(29-14-18-8-10-20(34-3)11-9-18)31-26(32-25(23)33)27-13-12-19-15-28-22-7-5-4-6-21(19)22/h4-11,15-17,28H,12-14H2,1-3H3,(H2,27,29,31,32) | PDB
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Similars
| Article
| n/a | n/a | 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory concentration against cyclin dependent kinase-2 (CDK2)/Cyclin E |
Bioorg Med Chem Lett 7: 2697-2702 (1997)
Article DOI: 10.1016/S0960-894X(97)10076-2
BindingDB Entry DOI: 10.7270/Q2FJ2H8Q |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1/G1/S-specific cyclin-E2
(Homo sapiens (Human)) | BDBM50290573
(2-{(2-Hydroxy-ethyl)-[9-isopropyl-6-(quinolin-3-yl...)Show SMILES CC(C)n1cnc2c(Nc3cnc4ccccc4c3)nc(nc12)N(CCO)CCO Show InChI InChI=1S/C21H25N7O2/c1-14(2)28-13-23-18-19(24-16-11-15-5-3-4-6-17(15)22-12-16)25-21(26-20(18)28)27(7-9-29)8-10-30/h3-6,11-14,29-30H,7-10H2,1-2H3,(H,24,25,26) | PDB
UniProtKB/SwissProt
antibodypedia
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Similars
| Article
| n/a | n/a | 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory concentration against cyclin dependent kinase-2 (CDK2)/Cyclin E |
Bioorg Med Chem Lett 7: 2697-2702 (1997)
Article DOI: 10.1016/S0960-894X(97)10076-2
BindingDB Entry DOI: 10.7270/Q2FJ2H8Q |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1/G1/S-specific cyclin-E2
(Homo sapiens (Human)) | BDBM50290589
(2-{(2-Hydroxy-ethyl)-[6-(4-methoxy-benzylamino)-9-...)Show SMILES CCC(C)Cn1cnc2c(NCc3ccc(OC)cc3)nc(nc12)N(CCO)CCO Show InChI InChI=1S/C22H32N6O3/c1-4-16(2)14-28-15-24-19-20(23-13-17-5-7-18(31-3)8-6-17)25-22(26-21(19)28)27(9-11-29)10-12-30/h5-8,15-16,29-30H,4,9-14H2,1-3H3,(H,23,25,26) | PDB
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Similars
| Article
| n/a | n/a | 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory concentration against cyclin dependent kinase-2 (CDK2)/Cyclin E |
Bioorg Med Chem Lett 7: 2697-2702 (1997)
Article DOI: 10.1016/S0960-894X(97)10076-2
BindingDB Entry DOI: 10.7270/Q2FJ2H8Q |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1/G1/S-specific cyclin-E2
(Homo sapiens (Human)) | BDBM50290614
(2-{(2-Hydroxy-ethyl)-[6-(4-methoxy-benzylamino)-9-...)Show SMILES COc1ccc(CNc2nc(nc3n(Cc4cccc(c4)[N+]([O-])=O)cnc23)N(CCO)CCO)cc1 Show InChI InChI=1S/C24H27N7O5/c1-36-20-7-5-17(6-8-20)14-25-22-21-23(28-24(27-22)29(9-11-32)10-12-33)30(16-26-21)15-18-3-2-4-19(13-18)31(34)35/h2-8,13,16,32-33H,9-12,14-15H2,1H3,(H,25,27,28) | PDB
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Similars
| Article
| n/a | n/a | 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory concentration against cyclin dependent kinase-2 (CDK2)/Cyclin E |
Bioorg Med Chem Lett 7: 2697-2702 (1997)
Article DOI: 10.1016/S0960-894X(97)10076-2
BindingDB Entry DOI: 10.7270/Q2FJ2H8Q |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1/G1/S-specific cyclin-E2
(Homo sapiens (Human)) | BDBM50290610
(2-[9-Isopropyl-6-(4-methoxy-benzylamino)-9H-purin-...)Show SMILES COc1ccc(CNc2nc(NC(CO)Cc3ccccc3)nc3n(cnc23)C(C)C)cc1 Show InChI InChI=1S/C25H30N6O2/c1-17(2)31-16-27-22-23(26-14-19-9-11-21(33-3)12-10-19)29-25(30-24(22)31)28-20(15-32)13-18-7-5-4-6-8-18/h4-12,16-17,20,32H,13-15H2,1-3H3,(H2,26,28,29,30) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
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Similars
| Article
| n/a | n/a | 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory concentration against cyclin dependent kinase-2 (CDK2)/Cyclin E |
Bioorg Med Chem Lett 7: 2697-2702 (1997)
Article DOI: 10.1016/S0960-894X(97)10076-2
BindingDB Entry DOI: 10.7270/Q2FJ2H8Q |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1/G1/S-specific cyclin-E2
(Homo sapiens (Human)) | BDBM50290567
(2-[[6-(Cyclopropyl-methyl-amino)-9-isopropyl-9H-pu...)Show InChI InChI=1S/C16H26N6O2/c1-11(2)22-10-17-13-14(20(3)12-4-5-12)18-16(19-15(13)22)21(6-8-23)7-9-24/h10-12,23-24H,4-9H2,1-3H3 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
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GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory concentration against cyclin dependent kinase-2 (CDK2)/Cyclin E |
Bioorg Med Chem Lett 7: 2697-2702 (1997)
Article DOI: 10.1016/S0960-894X(97)10076-2
BindingDB Entry DOI: 10.7270/Q2FJ2H8Q |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1/G1/S-specific cyclin-E2
(Homo sapiens (Human)) | BDBM50290579
(2-[(2-Hydroxy-ethyl)-(9-isopropyl-6-phenylamino-9H...)Show InChI InChI=1S/C18H24N6O2/c1-13(2)24-12-19-15-16(20-14-6-4-3-5-7-14)21-18(22-17(15)24)23(8-10-25)9-11-26/h3-7,12-13,25-26H,8-11H2,1-2H3,(H,20,21,22) | PDB
UniProtKB/SwissProt
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Similars
| Article
| n/a | n/a | 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory concentration against cyclin dependent kinase-2 (CDK2)/Cyclin E |
Bioorg Med Chem Lett 7: 2697-2702 (1997)
Article DOI: 10.1016/S0960-894X(97)10076-2
BindingDB Entry DOI: 10.7270/Q2FJ2H8Q |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1/G1/S-specific cyclin-E2
(Homo sapiens (Human)) | BDBM50290566
(2-[[6-(4-Butyl-benzylamino)-9-isopropyl-9H-purin-2...)Show SMILES CCCCc1ccc(CNc2nc(nc3n(cnc23)C(C)C)N(CCO)CCO)cc1 Show InChI InChI=1S/C23H34N6O2/c1-4-5-6-18-7-9-19(10-8-18)15-24-21-20-22(29(16-25-20)17(2)3)27-23(26-21)28(11-13-30)12-14-31/h7-10,16-17,30-31H,4-6,11-15H2,1-3H3,(H,24,26,27) | PDB
UniProtKB/SwissProt
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PC cid
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UniChem
Similars
| Article
| n/a | n/a | 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory concentration against cyclin dependent kinase-2 (CDK2)/Cyclin E |
Bioorg Med Chem Lett 7: 2697-2702 (1997)
Article DOI: 10.1016/S0960-894X(97)10076-2
BindingDB Entry DOI: 10.7270/Q2FJ2H8Q |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1/G1/S-specific cyclin-E2
(Homo sapiens (Human)) | BDBM50113694
(3-[9-Isopropyl-6-(4-methoxy-benzylamino)-9H-purin-...)Show SMILES COc1ccc(CNc2nc(NCC(O)CO)nc3n(cnc23)C(C)C)cc1 Show InChI InChI=1S/C19H26N6O3/c1-12(2)25-11-22-16-17(20-8-13-4-6-15(28-3)7-5-13)23-19(24-18(16)25)21-9-14(27)10-26/h4-7,11-12,14,26-27H,8-10H2,1-3H3,(H2,20,21,23,24) | PDB
UniProtKB/SwissProt
antibodypedia
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Similars
| Article
| n/a | n/a | 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory concentration against cyclin dependent kinase-2 (CDK2)/Cyclin E |
Bioorg Med Chem Lett 7: 2697-2702 (1997)
Article DOI: 10.1016/S0960-894X(97)10076-2
BindingDB Entry DOI: 10.7270/Q2FJ2H8Q |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1/G1/S-specific cyclin-E2
(Homo sapiens (Human)) | BDBM50290618
(2-[[9-Cyclopentyl-6-(4-methoxy-benzylamino)-9H-pur...)Show SMILES COc1ccc(CNc2nc(nc3n(cnc23)C2CCCC2)N(CCO)CCO)cc1 Show InChI InChI=1S/C22H30N6O3/c1-31-18-8-6-16(7-9-18)14-23-20-19-21(28(15-24-19)17-4-2-3-5-17)26-22(25-20)27(10-12-29)11-13-30/h6-9,15,17,29-30H,2-5,10-14H2,1H3,(H,23,25,26) | PDB
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Similars
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| n/a | n/a | 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory concentration against cyclin dependent kinase-2 (CDK2)/Cyclin E |
Bioorg Med Chem Lett 7: 2697-2702 (1997)
Article DOI: 10.1016/S0960-894X(97)10076-2
BindingDB Entry DOI: 10.7270/Q2FJ2H8Q |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1/G1/S-specific cyclin-E2
(Homo sapiens (Human)) | BDBM50290563
(2-[[6-(4-Bromo-benzylamino)-9-isopropyl-9H-purin-2...)Show SMILES CC(C)n1cnc2c(NCc3ccc(Br)cc3)nc(nc12)N(CCO)CCO Show InChI InChI=1S/C19H25BrN6O2/c1-13(2)26-12-22-16-17(21-11-14-3-5-15(20)6-4-14)23-19(24-18(16)26)25(7-9-27)8-10-28/h3-6,12-13,27-28H,7-11H2,1-2H3,(H,21,23,24) | PDB
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| n/a | n/a | 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory concentration against cyclin dependent kinase-2 (CDK2)/Cyclin E |
Bioorg Med Chem Lett 7: 2697-2702 (1997)
Article DOI: 10.1016/S0960-894X(97)10076-2
BindingDB Entry DOI: 10.7270/Q2FJ2H8Q |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1/G1/S-specific cyclin-E2
(Homo sapiens (Human)) | BDBM50290603
(2-{(2-Hydroxy-ethyl)-[9-isobutyl-6-(4-methoxy-benz...)Show SMILES COc1ccc(CNc2nc(nc3n(CC(C)C)cnc23)N(CCO)CCO)cc1 Show InChI InChI=1S/C21H30N6O3/c1-15(2)13-27-14-23-18-19(22-12-16-4-6-17(30-3)7-5-16)24-21(25-20(18)27)26(8-10-28)9-11-29/h4-7,14-15,28-29H,8-13H2,1-3H3,(H,22,24,25) | PDB
UniProtKB/SwissProt
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Similars
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| n/a | n/a | 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory concentration against cyclin dependent kinase-2 (CDK2)/Cyclin E |
Bioorg Med Chem Lett 7: 2697-2702 (1997)
Article DOI: 10.1016/S0960-894X(97)10076-2
BindingDB Entry DOI: 10.7270/Q2FJ2H8Q |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1/G1/S-specific cyclin-E2
(Homo sapiens (Human)) | BDBM50113723
(1-[9-Isopropyl-6-(4-methoxy-benzylamino)-9H-purin-...)Show SMILES COc1ccc(CNc2nc(nc3n(cnc23)C(C)C)N2CCC(O)CC2)cc1 Show InChI InChI=1S/C21H28N6O2/c1-14(2)27-13-23-18-19(22-12-15-4-6-17(29-3)7-5-15)24-21(25-20(18)27)26-10-8-16(28)9-11-26/h4-7,13-14,16,28H,8-12H2,1-3H3,(H,22,24,25) | PDB
UniProtKB/SwissProt
antibodypedia
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| n/a | n/a | 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory concentration against cyclin dependent kinase-2 (CDK2)/Cyclin E |
Bioorg Med Chem Lett 7: 2697-2702 (1997)
Article DOI: 10.1016/S0960-894X(97)10076-2
BindingDB Entry DOI: 10.7270/Q2FJ2H8Q |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1/G1/S-specific cyclin-E2
(Homo sapiens (Human)) | BDBM50290594
(2-{(2-Hydroxy-ethyl)-[6-(4-methoxy-benzylamino)-9-...)Show SMILES COc1ccc(CNc2nc(nc3n(Cc4ccc(cc4)[N+]([O-])=O)cnc23)N(CCO)CCO)cc1 Show InChI InChI=1S/C24H27N7O5/c1-36-20-8-4-17(5-9-20)14-25-22-21-23(28-24(27-22)29(10-12-32)11-13-33)30(16-26-21)15-18-2-6-19(7-3-18)31(34)35/h2-9,16,32-33H,10-15H2,1H3,(H,25,27,28) | PDB
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| CHEMBL
PC cid
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UniChem
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| Article
| n/a | n/a | 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory concentration against cyclin dependent kinase-2 (CDK2)/Cyclin E |
Bioorg Med Chem Lett 7: 2697-2702 (1997)
Article DOI: 10.1016/S0960-894X(97)10076-2
BindingDB Entry DOI: 10.7270/Q2FJ2H8Q |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50175304
(CHEMBL3808842)Show SMILES CC(c1cccc(c1)C(F)(F)F)n1cnc(c1)-n1ccc(NC(=O)c2cscn2)cc1=O Show InChI InChI=1S/C21H16F3N5O2S/c1-13(14-3-2-4-15(7-14)21(22,23)24)28-9-18(25-11-28)29-6-5-16(8-19(29)30)27-20(31)17-10-32-12-26-17/h2-13H,1H3,(H,27,31) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
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AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim (Canada) Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C9 (unknown origin) |
ACS Med Chem Lett 7: 525-30 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00064
BindingDB Entry DOI: 10.7270/Q24B337T |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50175296
(CHEMBL3809896)Show SMILES FC(F)(F)c1cccc(Cn2cnc(c2)-n2ccc(NC(=O)c3cscn3)cc2=O)c1 Show InChI InChI=1S/C20H14F3N5O2S/c21-20(22,23)14-3-1-2-13(6-14)8-27-9-17(24-11-27)28-5-4-15(7-18(28)29)26-19(30)16-10-31-12-25-16/h1-7,9-12H,8H2,(H,26,30) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim (Canada) Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C9 (unknown origin) |
ACS Med Chem Lett 7: 525-30 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00064
BindingDB Entry DOI: 10.7270/Q24B337T |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1/G1/S-specific cyclin-E2
(Homo sapiens (Human)) | BDBM50290590
(2-[6-(4-Methoxy-benzylamino)-9-methyl-9H-purin-2-y...)Show InChI InChI=1S/C16H20N6O2/c1-22-10-19-13-14(20-16(17-7-8-23)21-15(13)22)18-9-11-3-5-12(24-2)6-4-11/h3-6,10,23H,7-9H2,1-2H3,(H2,17,18,20,21) | PDB
UniProtKB/SwissProt
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PC cid
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Similars
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| n/a | n/a | 2.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory concentration against cyclin dependent kinase-2 (CDK2)/Cyclin E |
Bioorg Med Chem Lett 7: 2697-2702 (1997)
Article DOI: 10.1016/S0960-894X(97)10076-2
BindingDB Entry DOI: 10.7270/Q2FJ2H8Q |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1/G1/S-specific cyclin-E2
(Homo sapiens (Human)) | BDBM50290607
(4-(1-Hydroxy-2-{[9-isopropyl-6-(4-methoxy-benzylam...)Show SMILES COc1ccc(CNc2nc(nc3n(cnc23)C(C)C)N(C)CC(O)c2ccc(O)c(O)c2)cc1 Show InChI InChI=1S/C25H30N6O4/c1-15(2)31-14-27-22-23(26-12-16-5-8-18(35-4)9-6-16)28-25(29-24(22)31)30(3)13-21(34)17-7-10-19(32)20(33)11-17/h5-11,14-15,21,32-34H,12-13H2,1-4H3,(H,26,28,29) | PDB
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| n/a | n/a | 3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory concentration against cyclin dependent kinase-2 (CDK2)/Cyclin E |
Bioorg Med Chem Lett 7: 2697-2702 (1997)
Article DOI: 10.1016/S0960-894X(97)10076-2
BindingDB Entry DOI: 10.7270/Q2FJ2H8Q |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50175299
(CHEMBL3808805)Show SMILES CC(O)(c1nc(c[nH]1)-n1ccc(NC(=O)c2cscn2)cc1=O)c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C21H16F3N5O3S/c1-20(32,12-3-2-4-13(7-12)21(22,23)24)19-25-9-16(28-19)29-6-5-14(8-17(29)30)27-18(31)15-10-33-11-26-15/h2-11,32H,1H3,(H,25,28)(H,27,31) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim (Canada) Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C9 (unknown origin) |
ACS Med Chem Lett 7: 525-30 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00064
BindingDB Entry DOI: 10.7270/Q24B337T |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1/G1/S-specific cyclin-E2
(Homo sapiens (Human)) | BDBM50290561
(2-{(2-Hydroxy-ethyl)-[6-(4-methoxy-benzylamino)-9-...)Show SMILES CCCCCCCC\C=C/CCCCCCCCn1cnc2c(NCc3ccc(OC)cc3)nc(nc12)N(CCO)CCO Show InChI InChI=1S/C35H56N6O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-41-29-37-32-33(36-28-30-19-21-31(44-2)22-20-30)38-35(39-34(32)41)40(24-26-42)25-27-43/h10-11,19-22,29,42-43H,3-9,12-18,23-28H2,1-2H3,(H,36,38,39)/b11-10- | PDB
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| n/a | n/a | 3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory concentration against cyclin dependent kinase-2 (CDK2)/Cyclin E |
Bioorg Med Chem Lett 7: 2697-2702 (1997)
Article DOI: 10.1016/S0960-894X(97)10076-2
BindingDB Entry DOI: 10.7270/Q2FJ2H8Q |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1/G1/S-specific cyclin-E2
(Homo sapiens (Human)) | BDBM50290564
(1-{6-[(Biphenyl-4-ylmethyl)-amino]-9-isopropyl-9H-...)Show SMILES CC(O)Nc1nc(NCc2ccc(cc2)-c2ccccc2)c2ncn(C(C)C)c2n1 Show InChI InChI=1S/C23H26N6O/c1-15(2)29-14-25-20-21(27-23(26-16(3)30)28-22(20)29)24-13-17-9-11-19(12-10-17)18-7-5-4-6-8-18/h4-12,14-16,30H,13H2,1-3H3,(H2,24,26,27,28) | PDB
UniProtKB/SwissProt
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| CHEMBL
PC cid
PC sid
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Similars
| Article
| n/a | n/a | 3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory concentration against cyclin dependent kinase-2 (CDK2)/Cyclin E |
Bioorg Med Chem Lett 7: 2697-2702 (1997)
Article DOI: 10.1016/S0960-894X(97)10076-2
BindingDB Entry DOI: 10.7270/Q2FJ2H8Q |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1/G1/S-specific cyclin-E2
(Homo sapiens (Human)) | BDBM50290608
(CHEMBL91378 | {1-[9-Isopropyl-6-(4-methoxy-benzyla...)Show SMILES COc1ccc(CNc2nc(nc3n(cnc23)C(C)C)N2CCCCC2CO)cc1 Show InChI InChI=1S/C22H30N6O2/c1-15(2)28-14-24-19-20(23-12-16-7-9-18(30-3)10-8-16)25-22(26-21(19)28)27-11-5-4-6-17(27)13-29/h7-10,14-15,17,29H,4-6,11-13H2,1-3H3,(H,23,25,26) | PDB
UniProtKB/SwissProt
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PC cid
PC sid
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Similars
| Article
| n/a | n/a | 4.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory concentration against cyclin dependent kinase-2 (CDK2)/Cyclin E |
Bioorg Med Chem Lett 7: 2697-2702 (1997)
Article DOI: 10.1016/S0960-894X(97)10076-2
BindingDB Entry DOI: 10.7270/Q2FJ2H8Q |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1/G1/S-specific cyclin-E2
(Homo sapiens (Human)) | BDBM50290571
((2-Chloro-9-methyl-9H-purin-6-yl)-(4-methoxy-benzy...)Show InChI InChI=1S/C14H14ClN5O/c1-20-8-17-11-12(18-14(15)19-13(11)20)16-7-9-3-5-10(21-2)6-4-9/h3-6,8H,7H2,1-2H3,(H,16,18,19) | PDB
UniProtKB/SwissProt
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| n/a | n/a | 4.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory concentration against cyclin dependent kinase-2 (CDK2)/Cyclin E |
Bioorg Med Chem Lett 7: 2697-2702 (1997)
Article DOI: 10.1016/S0960-894X(97)10076-2
BindingDB Entry DOI: 10.7270/Q2FJ2H8Q |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1/G1/S-specific cyclin-E2
(Homo sapiens (Human)) | BDBM50290571
((2-Chloro-9-methyl-9H-purin-6-yl)-(4-methoxy-benzy...)Show InChI InChI=1S/C14H14ClN5O/c1-20-8-17-11-12(18-14(15)19-13(11)20)16-7-9-3-5-10(21-2)6-4-9/h3-6,8H,7H2,1-2H3,(H,16,18,19) | PDB
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Similars
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| n/a | n/a | 4.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory concentration against cyclin dependent kinase-2 (CDK2)/Cyclin E |
Bioorg Med Chem Lett 7: 2697-2702 (1997)
Article DOI: 10.1016/S0960-894X(97)10076-2
BindingDB Entry DOI: 10.7270/Q2FJ2H8Q |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C8
(Homo sapiens (Human)) | BDBM50175298
(CHEMBL3809890)Show SMILES OC(c1nc(c[nH]1)-n1ccc(NC(=O)c2cscn2)cc1=O)c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C20H14F3N5O3S/c21-20(22,23)12-3-1-2-11(6-12)17(30)18-24-8-15(27-18)28-5-4-13(7-16(28)29)26-19(31)14-9-32-10-25-14/h1-10,17,30H,(H,24,27)(H,26,31) | PDB
KEGG
UniProtKB/SwissProt
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DrugBank
antibodypedia
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AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 4.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim (Canada) Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C8 (unknown origin) |
ACS Med Chem Lett 7: 525-30 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00064
BindingDB Entry DOI: 10.7270/Q24B337T |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C8
(Homo sapiens (Human)) | BDBM50175299
(CHEMBL3808805)Show SMILES CC(O)(c1nc(c[nH]1)-n1ccc(NC(=O)c2cscn2)cc1=O)c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C21H16F3N5O3S/c1-20(32,12-3-2-4-13(7-12)21(22,23)24)19-25-9-16(28-19)29-6-5-14(8-17(29)30)27-18(31)15-10-33-11-26-15/h2-11,32H,1H3,(H,25,28)(H,27,31) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim (Canada) Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C8 (unknown origin) |
ACS Med Chem Lett 7: 525-30 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00064
BindingDB Entry DOI: 10.7270/Q24B337T |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1/G1/S-specific cyclin-E2
(Homo sapiens (Human)) | BDBM50290578
(Biphenyl-4-ylmethyl-(2-chloro-9-isopropyl-9H-purin...)Show SMILES CC(C)n1cnc2c(nc(Cl)nc12)N(C)Cc1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C22H22ClN5/c1-15(2)28-14-24-19-20(25-22(23)26-21(19)28)27(3)13-16-9-11-18(12-10-16)17-7-5-4-6-8-17/h4-12,14-15H,13H2,1-3H3 | PDB
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AffyNet
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Similars
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| n/a | n/a | >5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory concentration against cyclin dependent kinase-2 (CDK2)/Cyclin E |
Bioorg Med Chem Lett 7: 2697-2702 (1997)
Article DOI: 10.1016/S0960-894X(97)10076-2
BindingDB Entry DOI: 10.7270/Q2FJ2H8Q |
More data for this
Ligand-Target Pair | |
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