Found 35 hits of ic50 for UniProtKB: P11802 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 4/G1/S-specific cyclin-E1
(Homo sapiens (Human)) | BDBM50193087
(CHEMBL3897452)Show SMILES CCNCc1cncc(c1C)-c1cccc2[nH]nc(-c3nc4c(F)cc(F)cc4[nH]3)c12 Show InChI InChI=1S/C23H20F2N6/c1-3-26-9-13-10-27-11-16(12(13)2)15-5-4-6-18-20(15)22(31-30-18)23-28-19-8-14(24)7-17(25)21(19)29-23/h4-8,10-11,26H,3,9H2,1-2H3,(H,28,29)(H,30,31) | PDB
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| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Nebraska Medical Center
Curated by ChEMBL
| Assay Description
Inhibition of CDK4/cyclin E (unknown origin) |
J Med Chem 59: 8667-8684 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00150
BindingDB Entry DOI: 10.7270/Q2G73GP8 |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 4/G1/S-specific cyclin-E1
(Homo sapiens (Human)) | BDBM50458033
(CHEMBL4210422)Show SMILES CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCc3n2)C(=O)C(C)N2CCCC2)ncc1F Show InChI InChI=1S/C30H34F2N8O/c1-17(2)40-19(4)34-28-22(31)13-21(14-25(28)40)27-23(32)15-33-30(37-27)36-26-8-7-20-16-39(12-9-24(20)35-26)29(41)18(3)38-10-5-6-11-38/h7-8,13-15,17-18H,5-6,9-12,16H2,1-4H3,(H,33,35,36,37) | PDB
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| PC cid
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UniChem
| Article
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| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Shanghai HaiHe Pharmaceutical, Co. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human CDK4/cyclin D1 using ULight-substrate after 1 hr by LANCE assay |
Eur J Med Chem 148: 140-153 (2018)
Article DOI: 10.1016/j.ejmech.2018.02.022
BindingDB Entry DOI: 10.7270/Q2154KNQ |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 4/G1/S-specific cyclin-E1
(Homo sapiens (Human)) | BDBM50458026
(CHEMBL4207521)Show SMILES CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCc3n2)C2CCN(CC(C)(C)O)CC2)ncc1F Show InChI InChI=1S/C32H40F2N8O/c1-19(2)42-20(3)36-30-24(33)14-22(15-27(30)42)29-25(34)16-35-31(39-29)38-28-7-6-21-17-41(13-10-26(21)37-28)23-8-11-40(12-9-23)18-32(4,5)43/h6-7,14-16,19,23,43H,8-13,17-18H2,1-5H3,(H,35,37,38,39) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Shanghai HaiHe Pharmaceutical, Co. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human CDK4/cyclin D1 using ULight-substrate after 1 hr by LANCE assay |
Eur J Med Chem 148: 140-153 (2018)
Article DOI: 10.1016/j.ejmech.2018.02.022
BindingDB Entry DOI: 10.7270/Q2154KNQ |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 4/G1/S-specific cyclin-E1
(Homo sapiens (Human)) | BDBM50458041
(CHEMBL4213744)Show SMILES CCN1CCc2cc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C(C)C)c4c3)ccc2C1 Show InChI InChI=1S/C26H28F2N6/c1-5-33-9-8-17-10-20(7-6-18(17)14-33)31-26-29-13-22(28)24(32-26)19-11-21(27)25-23(12-19)34(15(2)3)16(4)30-25/h6-7,10-13,15H,5,8-9,14H2,1-4H3,(H,29,31,32) | PDB
UniProtKB/SwissProt
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| PC cid
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UniChem
| Article
PubMed
| n/a | n/a | 1.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Shanghai HaiHe Pharmaceutical, Co. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human CDK4/cyclin D1 using ULight-substrate after 1 hr by LANCE assay |
Eur J Med Chem 148: 140-153 (2018)
Article DOI: 10.1016/j.ejmech.2018.02.022
BindingDB Entry DOI: 10.7270/Q2154KNQ |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 4/G1/S-specific cyclin-E1
(Homo sapiens (Human)) | BDBM50458024
(CHEMBL4203179)Show SMILES CCN1CCC(CC1)N1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C(C)C)c4c3)ccc2C1 Show InChI InChI=1S/C30H36F2N8/c1-5-38-11-8-22(9-12-38)39-13-10-25-20(17-39)6-7-27(35-25)36-30-33-16-24(32)28(37-30)21-14-23(31)29-26(15-21)40(18(2)3)19(4)34-29/h6-7,14-16,18,22H,5,8-13,17H2,1-4H3,(H,33,35,36,37) | PDB
UniProtKB/SwissProt
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| PC cid
PC sid
UniChem
| Article
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| n/a | n/a | 1.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Shanghai HaiHe Pharmaceutical, Co. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human CDK4/cyclin D1 using ULight-substrate after 1 hr by LANCE assay |
Eur J Med Chem 148: 140-153 (2018)
Article DOI: 10.1016/j.ejmech.2018.02.022
BindingDB Entry DOI: 10.7270/Q2154KNQ |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 4/G1/S-specific cyclin-E1
(Homo sapiens (Human)) | BDBM50458044
(CHEMBL4208813)Show SMILES CCN1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C(C)C)c4c3)ccc2C1 Show InChI InChI=1S/C25H27F2N7/c1-5-33-9-8-20-16(13-33)6-7-22(30-20)31-25-28-12-19(27)23(32-25)17-10-18(26)24-21(11-17)34(14(2)3)15(4)29-24/h6-7,10-12,14H,5,8-9,13H2,1-4H3,(H,28,30,31,32) | PDB
UniProtKB/SwissProt
antibodypedia
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GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Shanghai HaiHe Pharmaceutical, Co. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human CDK4/cyclin D1 using ULight-substrate after 1 hr by LANCE assay |
Eur J Med Chem 148: 140-153 (2018)
Article DOI: 10.1016/j.ejmech.2018.02.022
BindingDB Entry DOI: 10.7270/Q2154KNQ |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 4/G1/S-specific cyclin-E1
(Homo sapiens (Human)) | BDBM50458049
(CHEMBL4214827)Show SMILES CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCc3n2)C2CCN(C)CC2)ncc1F Show InChI InChI=1S/C29H34F2N8/c1-17(2)39-18(3)33-28-22(30)13-20(14-25(28)39)27-23(31)15-32-29(36-27)35-26-6-5-19-16-38(12-9-24(19)34-26)21-7-10-37(4)11-8-21/h5-6,13-15,17,21H,7-12,16H2,1-4H3,(H,32,34,35,36) | PDB
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| PC cid
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| n/a | n/a | 1.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Shanghai HaiHe Pharmaceutical, Co. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human CDK4/cyclin D1 using ULight-substrate after 1 hr by LANCE assay |
Eur J Med Chem 148: 140-153 (2018)
Article DOI: 10.1016/j.ejmech.2018.02.022
BindingDB Entry DOI: 10.7270/Q2154KNQ |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 4/G1/S-specific cyclin-E1
(Homo sapiens (Human)) | BDBM50458051
(CHEMBL4206061 | US10988476, Compound I-23)Show SMILES CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCc3n2)C(=O)CN2CCN(C)CC2)ncc1F Show InChI InChI=1S/C30H35F2N9O/c1-18(2)41-19(3)34-29-22(31)13-21(14-25(29)41)28-23(32)15-33-30(37-28)36-26-6-5-20-16-40(8-7-24(20)35-26)27(42)17-39-11-9-38(4)10-12-39/h5-6,13-15,18H,7-12,16-17H2,1-4H3,(H,33,35,36,37) | PDB
UniProtKB/SwissProt
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| PC cid
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UniChem
| Article
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| n/a | n/a | 1.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Shanghai HaiHe Pharmaceutical, Co. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human CDK4/cyclin D1 using ULight-substrate after 1 hr by LANCE assay |
Eur J Med Chem 148: 140-153 (2018)
Article DOI: 10.1016/j.ejmech.2018.02.022
BindingDB Entry DOI: 10.7270/Q2154KNQ |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 4/G1/S-specific cyclin-E1
(Homo sapiens (Human)) | BDBM50458042
(CHEMBL4202644)Show SMILES COCCN1CCC(CC1)N1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C(C)C)c4c3)ccc2C1 Show InChI InChI=1S/C31H38F2N8O/c1-19(2)41-20(3)35-30-24(32)15-22(16-27(30)41)29-25(33)17-34-31(38-29)37-28-6-5-21-18-40(12-9-26(21)36-28)23-7-10-39(11-8-23)13-14-42-4/h5-6,15-17,19,23H,7-14,18H2,1-4H3,(H,34,36,37,38) | PDB
UniProtKB/SwissProt
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| PC cid
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UniChem
| Article
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| n/a | n/a | 1.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Shanghai HaiHe Pharmaceutical, Co. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human CDK4/cyclin D1 using ULight-substrate after 1 hr by LANCE assay |
Eur J Med Chem 148: 140-153 (2018)
Article DOI: 10.1016/j.ejmech.2018.02.022
BindingDB Entry DOI: 10.7270/Q2154KNQ |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 4/G1/S-specific cyclin-E1
(Homo sapiens (Human)) | BDBM50458040
(CHEMBL4204986)Show SMILES CCC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CC)CCc3n2)ncc1F Show InChI InChI=1S/C26H29F2N7/c1-5-15(3)35-16(4)30-25-19(27)11-18(12-22(25)35)24-20(28)13-29-26(33-24)32-23-8-7-17-14-34(6-2)10-9-21(17)31-23/h7-8,11-13,15H,5-6,9-10,14H2,1-4H3,(H,29,31,32,33) | PDB
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Shanghai HaiHe Pharmaceutical, Co. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human CDK4/cyclin D1 using ULight-substrate after 1 hr by LANCE assay |
Eur J Med Chem 148: 140-153 (2018)
Article DOI: 10.1016/j.ejmech.2018.02.022
BindingDB Entry DOI: 10.7270/Q2154KNQ |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 4/G1/S-specific cyclin-E1
(Homo sapiens (Human)) | BDBM50110183
(Abemaciclib | LY-2835219 | US10626107, Example LY2...)Show SMILES CCN1CCN(Cc2ccc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C(C)C)c4c3)nc2)CC1 Show InChI InChI=1S/C27H32F2N8/c1-5-35-8-10-36(11-9-35)16-19-6-7-24(30-14-19)33-27-31-15-22(29)25(34-27)20-12-21(28)26-23(13-20)37(17(2)3)18(4)32-26/h6-7,12-15,17H,5,8-11,16H2,1-4H3,(H,30,31,33,34) | PDB
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| PDB
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| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Shanghai HaiHe Pharmaceutical, Co. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human CDK4/cyclin D1 using ULight-substrate after 1 hr by LANCE assay |
Eur J Med Chem 148: 140-153 (2018)
Article DOI: 10.1016/j.ejmech.2018.02.022
BindingDB Entry DOI: 10.7270/Q2154KNQ |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Cyclin-dependent kinase 4/G1/S-specific cyclin-E1
(Homo sapiens (Human)) | BDBM50458047
(CHEMBL4212540)Show SMILES CC(O)CN1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C(C)C)c4c3)ccc2C1 Show InChI InChI=1S/C26H29F2N7O/c1-14(2)35-16(4)30-25-19(27)9-18(10-22(25)35)24-20(28)11-29-26(33-24)32-23-6-5-17-13-34(12-15(3)36)8-7-21(17)31-23/h5-6,9-11,14-15,36H,7-8,12-13H2,1-4H3,(H,29,31,32,33) | PDB
UniProtKB/SwissProt
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| PC cid
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UniChem
| Article
PubMed
| n/a | n/a | 2.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Shanghai HaiHe Pharmaceutical, Co. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human CDK4/cyclin D1 using ULight-substrate after 1 hr by LANCE assay |
Eur J Med Chem 148: 140-153 (2018)
Article DOI: 10.1016/j.ejmech.2018.02.022
BindingDB Entry DOI: 10.7270/Q2154KNQ |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 4/G1/S-specific cyclin-E1
(Homo sapiens (Human)) | BDBM50458043
(CHEMBL4210299)Show SMILES CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCc3n2)C2CCN(CC3CC3)CC2)ncc1F Show InChI InChI=1S/C32H38F2N8/c1-19(2)42-20(3)36-31-25(33)14-23(15-28(31)42)30-26(34)16-35-32(39-30)38-29-7-6-22-18-41(13-10-27(22)37-29)24-8-11-40(12-9-24)17-21-4-5-21/h6-7,14-16,19,21,24H,4-5,8-13,17-18H2,1-3H3,(H,35,37,38,39) | PDB
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| PC cid
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UniChem
| Article
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| n/a | n/a | 2.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Shanghai HaiHe Pharmaceutical, Co. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human CDK4/cyclin D1 using ULight-substrate after 1 hr by LANCE assay |
Eur J Med Chem 148: 140-153 (2018)
Article DOI: 10.1016/j.ejmech.2018.02.022
BindingDB Entry DOI: 10.7270/Q2154KNQ |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 4/G1/S-specific cyclin-E1
(Homo sapiens (Human)) | BDBM50458034
(CHEMBL4212532 | US10662186, Compound 5 | US1098847...)Show SMILES CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCc3n2)C(=O)CN(C)C)ncc1F Show InChI InChI=1S/C27H30F2N8O/c1-15(2)37-16(3)31-26-19(28)10-18(11-22(26)37)25-20(29)12-30-27(34-25)33-23-7-6-17-13-36(9-8-21(17)32-23)24(38)14-35(4)5/h6-7,10-12,15H,8-9,13-14H2,1-5H3,(H,30,32,33,34) | PDB
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UniChem
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| n/a | n/a | 2.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Shanghai HaiHe Pharmaceutical, Co. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human CDK4/cyclin D1 using ULight-substrate after 1 hr by LANCE assay |
Eur J Med Chem 148: 140-153 (2018)
Article DOI: 10.1016/j.ejmech.2018.02.022
BindingDB Entry DOI: 10.7270/Q2154KNQ |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 4/G1/S-specific cyclin-E1
(Homo sapiens (Human)) | BDBM50458032
(CHEMBL4205132)Show SMILES CC(C)N1CCC(CC1)N1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C(C)C)c4c3)ccc2C1 Show InChI InChI=1S/C31H38F2N8/c1-18(2)39-11-8-23(9-12-39)40-13-10-26-21(17-40)6-7-28(36-26)37-31-34-16-25(33)29(38-31)22-14-24(32)30-27(15-22)41(19(3)4)20(5)35-30/h6-7,14-16,18-19,23H,8-13,17H2,1-5H3,(H,34,36,37,38) | PDB
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| n/a | n/a | 2.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Shanghai HaiHe Pharmaceutical, Co. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human CDK4/cyclin D1 using ULight-substrate after 1 hr by LANCE assay |
Eur J Med Chem 148: 140-153 (2018)
Article DOI: 10.1016/j.ejmech.2018.02.022
BindingDB Entry DOI: 10.7270/Q2154KNQ |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 4/G1/S-specific cyclin-E1
(Homo sapiens (Human)) | BDBM50458048
(CHEMBL4210944)Show SMILES CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCc3n2)C(=O)C2CCN(C)CC2)ncc1F Show InChI InChI=1S/C30H34F2N8O/c1-17(2)40-18(3)34-28-22(31)13-21(14-25(28)40)27-23(32)15-33-30(37-27)36-26-6-5-20-16-39(12-9-24(20)35-26)29(41)19-7-10-38(4)11-8-19/h5-6,13-15,17,19H,7-12,16H2,1-4H3,(H,33,35,36,37) | PDB
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| PC cid
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UniChem
| Article
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| n/a | n/a | 2.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Shanghai HaiHe Pharmaceutical, Co. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human CDK4/cyclin D1 using ULight-substrate after 1 hr by LANCE assay |
Eur J Med Chem 148: 140-153 (2018)
Article DOI: 10.1016/j.ejmech.2018.02.022
BindingDB Entry DOI: 10.7270/Q2154KNQ |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 4/G1/S-specific cyclin-E1
(Homo sapiens (Human)) | BDBM50464606
(CHEMBL4277900 | US11091476, Example 17)Show SMILES CN1CCC(CC1)c1ccc(Nc2ncc(F)c(n2)-c2cc3c(N=C(C)C33CCCC3)c(F)c2)nc1 |t:25| Show InChI InChI=1S/C28H30F2N6/c1-17-28(9-3-4-10-28)21-13-20(14-22(29)26(21)33-17)25-23(30)16-32-27(35-25)34-24-6-5-19(15-31-24)18-7-11-36(2)12-8-18/h5-6,13-16,18H,3-4,7-12H2,1-2H3,(H,31,32,34,35) | PDB
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| US Patent
| n/a | n/a | 2.62 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
1.2.2 Preparation of kinase solution: Kinase solutions having the concentrations required for each reaction system were prepared from 100 ng/... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2H13552 |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 4/G1/S-specific cyclin-E1
(Homo sapiens (Human)) | BDBM50458025
(CHEMBL4216664)Show SMILES CCN1CCc2nc(Nc3cc(c(F)cn3)-c3cc(F)c4nc(C)n(C(C)C)c4c3)ccc2C1 Show InChI InChI=1S/C26H28F2N6/c1-5-33-9-8-22-17(14-33)6-7-24(31-22)32-25-12-19(21(28)13-29-25)18-10-20(27)26-23(11-18)34(15(2)3)16(4)30-26/h6-7,10-13,15H,5,8-9,14H2,1-4H3,(H,29,31,32) | PDB
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| n/a | n/a | 2.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Shanghai HaiHe Pharmaceutical, Co. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human CDK4/cyclin D1 using ULight-substrate after 1 hr by LANCE assay |
Eur J Med Chem 148: 140-153 (2018)
Article DOI: 10.1016/j.ejmech.2018.02.022
BindingDB Entry DOI: 10.7270/Q2154KNQ |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 4/G1/S-specific cyclin-E1
(Homo sapiens (Human)) | BDBM50458027
(CHEMBL4213778)Show SMILES CCN1CCC(CN2CCc3nc(Nc4ncc(F)c(n4)-c4cc(F)c5nc(C)n(C(C)C)c5c4)ccc3C2)CC1 Show InChI InChI=1S/C31H38F2N8/c1-5-39-11-8-21(9-12-39)17-40-13-10-26-22(18-40)6-7-28(36-26)37-31-34-16-25(33)29(38-31)23-14-24(32)30-27(15-23)41(19(2)3)20(4)35-30/h6-7,14-16,19,21H,5,8-13,17-18H2,1-4H3,(H,34,36,37,38) | PDB
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| n/a | n/a | 3.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Shanghai HaiHe Pharmaceutical, Co. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human CDK4/cyclin D1 using ULight-substrate after 1 hr by LANCE assay |
Eur J Med Chem 148: 140-153 (2018)
Article DOI: 10.1016/j.ejmech.2018.02.022
BindingDB Entry DOI: 10.7270/Q2154KNQ |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 4/G1/S-specific cyclin-E1
(Homo sapiens (Human)) | BDBM50458046
(CHEMBL4213756 | US10662186, Compound comparative C...)Show SMILES COCCN1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C(C)C)c4c3)ccc2C1 Show InChI InChI=1S/C26H29F2N7O/c1-15(2)35-16(3)30-25-19(27)11-18(12-22(25)35)24-20(28)13-29-26(33-24)32-23-6-5-17-14-34(9-10-36-4)8-7-21(17)31-23/h5-6,11-13,15H,7-10,14H2,1-4H3,(H,29,31,32,33) | PDB
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Shanghai HaiHe Pharmaceutical, Co. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human CDK4/cyclin D1 using ULight-substrate after 1 hr by LANCE assay |
Eur J Med Chem 148: 140-153 (2018)
Article DOI: 10.1016/j.ejmech.2018.02.022
BindingDB Entry DOI: 10.7270/Q2154KNQ |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 4/G1/S-specific cyclin-E1
(Homo sapiens (Human)) | BDBM50458035
(CHEMBL4213219 | US10662186, Compound comparative B...)Show SMILES CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCc3n2)C(=O)CO)ncc1F Show InChI InChI=1S/C25H25F2N7O2/c1-13(2)34-14(3)29-24-17(26)8-16(9-20(24)34)23-18(27)10-28-25(32-23)31-21-5-4-15-11-33(22(36)12-35)7-6-19(15)30-21/h4-5,8-10,13,35H,6-7,11-12H2,1-3H3,(H,28,30,31,32) | PDB
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Shanghai HaiHe Pharmaceutical, Co. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human CDK4/cyclin D1 using ULight-substrate after 1 hr by LANCE assay |
Eur J Med Chem 148: 140-153 (2018)
Article DOI: 10.1016/j.ejmech.2018.02.022
BindingDB Entry DOI: 10.7270/Q2154KNQ |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 4/G1/S-specific cyclin-E1
(Homo sapiens (Human)) | BDBM50458028
(CHEMBL4202467)Show SMILES CCN1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(CC5CC5)c4c3)ccc2C1 Show InChI InChI=1S/C26H27F2N7/c1-3-34-9-8-21-17(14-34)6-7-23(31-21)32-26-29-12-20(28)24(33-26)18-10-19(27)25-22(11-18)35(15(2)30-25)13-16-4-5-16/h6-7,10-12,16H,3-5,8-9,13-14H2,1-2H3,(H,29,31,32,33) | PDB
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Shanghai HaiHe Pharmaceutical, Co. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human CDK4/cyclin D1 using ULight-substrate after 1 hr by LANCE assay |
Eur J Med Chem 148: 140-153 (2018)
Article DOI: 10.1016/j.ejmech.2018.02.022
BindingDB Entry DOI: 10.7270/Q2154KNQ |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 4/G1/S-specific cyclin-E1
(Homo sapiens (Human)) | BDBM50464613
(CHEMBL4288165 | US11091476, Example 12)Show SMILES CCN1CCC(CC1)c1ccc(Nc2ncc(F)c(n2)-c2cc3c(N=C(C)C33CCCC3)c(F)c2)nc1 |t:26| Show InChI InChI=1S/C29H32F2N6/c1-3-37-12-8-19(9-13-37)20-6-7-25(32-16-20)35-28-33-17-24(31)26(36-28)21-14-22-27(23(30)15-21)34-18(2)29(22)10-4-5-11-29/h6-7,14-17,19H,3-5,8-13H2,1-2H3,(H,32,33,35,36) | PDB
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TBA
| Assay Description
1.2.2 Preparation of kinase solution: Kinase solutions having the concentrations required for each reaction system were prepared from 100 ng/... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2H13552 |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 4/G1/S-specific cyclin-E1
(Homo sapiens (Human)) | BDBM50458030
(CHEMBL4218588)Show SMILES CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCc3n2)C(=O)C(C)O)ncc1F Show InChI InChI=1S/C26H27F2N7O2/c1-13(2)35-15(4)30-24-18(27)9-17(10-21(24)35)23-19(28)11-29-26(33-23)32-22-6-5-16-12-34(25(37)14(3)36)8-7-20(16)31-22/h5-6,9-11,13-14,36H,7-8,12H2,1-4H3,(H,29,31,32,33) | PDB
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| n/a | n/a | 5.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Shanghai HaiHe Pharmaceutical, Co. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human CDK4/cyclin D1 using ULight-substrate after 1 hr by LANCE assay |
Eur J Med Chem 148: 140-153 (2018)
Article DOI: 10.1016/j.ejmech.2018.02.022
BindingDB Entry DOI: 10.7270/Q2154KNQ |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 4/G1/S-specific cyclin-E1
(Homo sapiens (Human)) | BDBM50458039
(CHEMBL4214156)Show SMILES CCN1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(CC(C)C)c4c3)ccc2C1 Show InChI InChI=1S/C26H29F2N7/c1-5-34-9-8-21-17(14-34)6-7-23(31-21)32-26-29-12-20(28)24(33-26)18-10-19(27)25-22(11-18)35(13-15(2)3)16(4)30-25/h6-7,10-12,15H,5,8-9,13-14H2,1-4H3,(H,29,31,32,33) | PDB
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| n/a | n/a | 6.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Shanghai HaiHe Pharmaceutical, Co. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human CDK4/cyclin D1 using ULight-substrate after 1 hr by LANCE assay |
Eur J Med Chem 148: 140-153 (2018)
Article DOI: 10.1016/j.ejmech.2018.02.022
BindingDB Entry DOI: 10.7270/Q2154KNQ |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 4/G1/S-specific cyclin-E1
(Homo sapiens (Human)) | BDBM50458045
(CHEMBL4217628)Show SMILES CCN1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C5CCCC5)c4c3)ccc2C1 Show InChI InChI=1S/C27H29F2N7/c1-3-35-11-10-22-17(15-35)8-9-24(32-22)33-27-30-14-21(29)25(34-27)18-12-20(28)26-23(13-18)36(16(2)31-26)19-6-4-5-7-19/h8-9,12-14,19H,3-7,10-11,15H2,1-2H3,(H,30,32,33,34) | PDB
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Shanghai HaiHe Pharmaceutical, Co. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human CDK4/cyclin D1 using ULight-substrate after 1 hr by LANCE assay |
Eur J Med Chem 148: 140-153 (2018)
Article DOI: 10.1016/j.ejmech.2018.02.022
BindingDB Entry DOI: 10.7270/Q2154KNQ |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 4/G1/S-specific cyclin-E1
(Homo sapiens (Human)) | BDBM50458038
(CHEMBL4205920)Show SMILES CCN1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C5CCC5)c4c3)ccc2C1 Show InChI InChI=1S/C26H27F2N7/c1-3-34-10-9-21-16(14-34)7-8-23(31-21)32-26-29-13-20(28)24(33-26)17-11-19(27)25-22(12-17)35(15(2)30-25)18-5-4-6-18/h7-8,11-13,18H,3-6,9-10,14H2,1-2H3,(H,29,31,32,33) | PDB
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| n/a | n/a | 7.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Shanghai HaiHe Pharmaceutical, Co. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human CDK4/cyclin D1 using ULight-substrate after 1 hr by LANCE assay |
Eur J Med Chem 148: 140-153 (2018)
Article DOI: 10.1016/j.ejmech.2018.02.022
BindingDB Entry DOI: 10.7270/Q2154KNQ |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 4/G1/S-specific cyclin-E1
(Homo sapiens (Human)) | BDBM50458031
(CHEMBL4209352)Show SMILES CCN1CCc2nc(Nc3cc(ncn3)-c3cc(F)c4nc(C)n(C(C)C)c4c3)ccc2C1 Show InChI InChI=1S/C25H28FN7/c1-5-32-9-8-20-17(13-32)6-7-23(30-20)31-24-12-21(27-14-28-24)18-10-19(26)25-22(11-18)33(15(2)3)16(4)29-25/h6-7,10-12,14-15H,5,8-9,13H2,1-4H3,(H,27,28,30,31) | PDB
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| n/a | n/a | 8.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Shanghai HaiHe Pharmaceutical, Co. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human CDK4/cyclin D1 using ULight-substrate after 1 hr by LANCE assay |
Eur J Med Chem 148: 140-153 (2018)
Article DOI: 10.1016/j.ejmech.2018.02.022
BindingDB Entry DOI: 10.7270/Q2154KNQ |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 4/G1/S-specific cyclin-E1
(Homo sapiens (Human)) | BDBM50458050
(CHEMBL4203758)Show SMILES CCN1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C5CCCCC5)c4c3)ccc2C1 Show InChI InChI=1S/C28H31F2N7/c1-3-36-12-11-23-18(16-36)9-10-25(33-23)34-28-31-15-22(30)26(35-28)19-13-21(29)27-24(14-19)37(17(2)32-27)20-7-5-4-6-8-20/h9-10,13-15,20H,3-8,11-12,16H2,1-2H3,(H,31,33,34,35) | PDB
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| n/a | n/a | 8.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Shanghai HaiHe Pharmaceutical, Co. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human CDK4/cyclin D1 using ULight-substrate after 1 hr by LANCE assay |
Eur J Med Chem 148: 140-153 (2018)
Article DOI: 10.1016/j.ejmech.2018.02.022
BindingDB Entry DOI: 10.7270/Q2154KNQ |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 4/G1/S-specific cyclin-E1
(Homo sapiens (Human)) | BDBM50458029
(CHEMBL4204483)Show SMILES CCN1CCc2nc(Nc3cc(ccn3)-c3cc(F)c4nc(C)n(C(C)C)c4c3)ccc2C1 Show InChI InChI=1S/C26H29FN6/c1-5-32-11-9-22-19(15-32)6-7-24(30-22)31-25-14-18(8-10-28-25)20-12-21(27)26-23(13-20)33(16(2)3)17(4)29-26/h6-8,10,12-14,16H,5,9,11,15H2,1-4H3,(H,28,30,31) | PDB
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| n/a | n/a | 9.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Shanghai HaiHe Pharmaceutical, Co. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human CDK4/cyclin D1 using ULight-substrate after 1 hr by LANCE assay |
Eur J Med Chem 148: 140-153 (2018)
Article DOI: 10.1016/j.ejmech.2018.02.022
BindingDB Entry DOI: 10.7270/Q2154KNQ |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 4/G1/S-specific cyclin-E1
(Homo sapiens (Human)) | BDBM50458036
(CHEMBL4207796 | US10662186, Compound comparative F...)Show SMILES CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCF)CCc3n2)ncc1F Show InChI InChI=1S/C25H26F3N7/c1-14(2)35-15(3)30-24-18(27)10-17(11-21(24)35)23-19(28)12-29-25(33-23)32-22-5-4-16-13-34(9-7-26)8-6-20(16)31-22/h4-5,10-12,14H,6-9,13H2,1-3H3,(H,29,31,32,33) | PDB
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Shanghai HaiHe Pharmaceutical, Co. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human CDK4/cyclin D1 using ULight-substrate after 1 hr by LANCE assay |
Eur J Med Chem 148: 140-153 (2018)
Article DOI: 10.1016/j.ejmech.2018.02.022
BindingDB Entry DOI: 10.7270/Q2154KNQ |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 4/G1/S-specific cyclin-E1
(Homo sapiens (Human)) | BDBM50110183
(Abemaciclib | LY-2835219 | US10626107, Example LY2...)Show SMILES CCN1CCN(Cc2ccc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C(C)C)c4c3)nc2)CC1 Show InChI InChI=1S/C27H32F2N8/c1-5-35-8-10-36(11-9-35)16-19-6-7-24(30-14-19)33-27-31-15-22(29)25(34-27)20-12-21(28)26-23(13-20)37(17(2)3)18(4)32-26/h6-7,12-15,17H,5,8-11,16H2,1-4H3,(H,30,31,33,34) | PDB
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| n/a | n/a | 14.8 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
1.2.2 Preparation of kinase solution: Kinase solutions having the concentrations required for each reaction system were prepared from 100 ng/... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2H13552 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Cyclin-dependent kinase 4/G1/S-specific cyclin-E1
(Homo sapiens (Human)) | BDBM50458037
(CHEMBL4210282)Show SMILES CCN1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C5CCOC5)c4c3)ccc2C1 Show InChI InChI=1S/C26H27F2N7O/c1-3-34-8-6-21-16(13-34)4-5-23(31-21)32-26-29-12-20(28)24(33-26)17-10-19(27)25-22(11-17)35(15(2)30-25)18-7-9-36-14-18/h4-5,10-12,18H,3,6-9,13-14H2,1-2H3,(H,29,31,32,33) | PDB
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Shanghai HaiHe Pharmaceutical, Co. Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human CDK4/cyclin D1 using ULight-substrate after 1 hr by LANCE assay |
Eur J Med Chem 148: 140-153 (2018)
Article DOI: 10.1016/j.ejmech.2018.02.022
BindingDB Entry DOI: 10.7270/Q2154KNQ |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 4/G1/S-specific cyclin-E1
(Homo sapiens (Human)) | BDBM50464614
(CHEMBL4277525 | US11091476, Example 6)Show SMILES CC1=Nc2c(cc(cc2F)-c2nc(Nc3ccc(cn3)N3CCNCC3)ncc2F)C11CCCC1 |t:1| Show InChI InChI=1S/C26H27F2N7/c1-16-26(6-2-3-7-26)19-12-17(13-20(27)24(19)32-16)23-21(28)15-31-25(34-23)33-22-5-4-18(14-30-22)35-10-8-29-9-11-35/h4-5,12-15,29H,2-3,6-11H2,1H3,(H,30,31,33,34) | PDB
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TBA
| Assay Description
1.2.2 Preparation of kinase solution: Kinase solutions having the concentrations required for each reaction system were prepared from 100 ng/... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2H13552 |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 4/G1/S-specific cyclin-E1
(Homo sapiens (Human)) | BDBM106950
(US8592581, 1)Show SMILES CC[C@H](Nc1nc(NCc2cnc(C)cc2C)c2ncn(C(C)C)c2n1)[C@@H](C)O |r| Show InChI InChI=1S/C21H31N7O/c1-7-17(15(6)29)25-21-26-19(18-20(27-21)28(11-24-18)12(2)3)23-10-16-9-22-14(5)8-13(16)4/h8-9,11-12,15,17,29H,7,10H2,1-6H3,(H2,23,25,26,27)/t15-,17+/m1/s1 | PDB
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| n/a | n/a | 232 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Nebraska Medical Center
Curated by ChEMBL
| Assay Description
Inhibition of CDK4/cyclin E (unknown origin) |
J Med Chem 59: 8667-8684 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00150
BindingDB Entry DOI: 10.7270/Q2G73GP8 |
More data for this
Ligand-Target Pair | |
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