Found 347 hits of ic50 for UniProtKB: P24385 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 6/G1/S-specific cyclin-D1
(Homo sapiens (Human)) | BDBM621179
(US20230303564, Compound 21)Show SMILES CS(=O)(=O)N1CCC(CC1)Nc1ncc2cc(nc(N[C@H]3CCCC3(F)F)c2n1)C(F)F |r| | PDB
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| PC cid
PC sid
UniChem
| | n/a | n/a | 0.340 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 6/G1/S-specific cyclin-D1
(Homo sapiens (Human)) | BDBM621183
(US20230303564, Compound 25)Show SMILES C[C@@H]1CCCN1c1nc(cc2cnc(NC3CCN(CC3)S(C)(=O)=O)nc12)C(F)F |r| | PDB
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| PC cid
PC sid
UniChem
| | n/a | n/a | 0.460 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 6/G1/S-specific cyclin-D1
(Homo sapiens (Human)) | BDBM621178
(US20230303564, Compound 20)Show SMILES Cn1cc(Cl)c(Nc2nc(cc3cnc(NC4CCN(CC4)S(C)(=O)=O)nc23)C(F)F)n1 | PDB
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| PC cid
PC sid
UniChem
| | n/a | n/a | 0.560 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 6/G1/S-specific cyclin-D1
(Homo sapiens (Human)) | BDBM611019
(US10626107, Example A crystal form of compound WX_...)Show SMILES CC(C)n1c(C)nc2ccc(cc12)-c1nc(Nc2ccc(cn2)N2CCNCC2)ncc1F | PDB
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| PC cid
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UniChem
| | n/a | n/a | <0.800 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2ZP4B70 |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 6/G1/S-specific cyclin-D1
(Homo sapiens (Human)) | BDBM621172
(US20230303564, Compound 6 | US20230303564, Compoun...)Show SMILES Cc1cc2cnc(NC3CCN(CC3)S(C)(=O)=O)nc2c(N[C@@H]2CCC[C@@]2(C)O)n1 |r| | PDB
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| PC cid
PC sid
UniChem
| | n/a | n/a | 0.810 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 6/G1/S-specific cyclin-D1
(Homo sapiens (Human)) | BDBM6309
(6-Acetyl-8-cyclopentyl-5-methyl-2-(5-piperazin-1-y...)Show SMILES CC(=O)c1c(C)c2cnc(Nc3ccc(cn3)N3CCNCC3)nc2n(C2CCCC2)c1=O Show InChI InChI=1S/C24H29N7O2/c1-15-19-14-27-24(28-20-8-7-18(13-26-20)30-11-9-25-10-12-30)29-22(19)31(17-5-3-4-6-17)23(33)21(15)16(2)32/h7-8,13-14,17,25H,3-6,9-12H2,1-2H3,(H,26,27,28,29) | PDB
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| n/a | n/a | 0.980 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2ZP4B70 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Cyclin-dependent kinase 6/G1/S-specific cyclin-D1
(Homo sapiens (Human)) | BDBM513550
(US11091485, Compound I-31)Show SMILES C1CCC(C1)c1cnc2ccc3cnc(Nc4ccc(cn4)N4CCNCC4)nc3n12 | PDB
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| PC cid
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| US Patent
| n/a | n/a | <1 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Potency determination of biochemical kinase inhibition test. Kinase activity test and IC50 determination. Firstly, 10 ng of recombinant CDK4/Cyclin D... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q23R0X09 |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 6/G1/S-specific cyclin-D1
(Homo sapiens (Human)) | BDBM513536
(US11091485, Compound I-17)Show SMILES CC(C)c1cnc2ccc3cnc(Nc4ccc(cn4)N4CCOCC4)nc3n12 | PDB
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| PC cid
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| US Patent
| n/a | n/a | <1 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Potency determination of biochemical kinase inhibition test. Kinase activity test and IC50 determination. Firstly, 10 ng of recombinant CDK4/Cyclin D... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q23R0X09 |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 6/G1/S-specific cyclin-D1
(Homo sapiens (Human)) | BDBM513553
(US11091485, Compound I-34)Show SMILES Cc1nc(Nc2ncc3ccc4ncc(C5CCCC5)n4c3n2)ccc1N1CCNCC1 | PDB
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| PC cid
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| n/a | n/a | <1 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Potency determination of biochemical kinase inhibition test. Kinase activity test and IC50 determination. Firstly, 10 ng of recombinant CDK4/Cyclin D... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q23R0X09 |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 6/G1/S-specific cyclin-D1
(Homo sapiens (Human)) | BDBM513552
(US11091485, Compound I-33)Show SMILES Cc1cc(Nc2ncc3ccc4ncc(C5CCCC5)n4c3n2)ncc1N1CCNCC1 | PDB
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| PC cid
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| n/a | n/a | <1 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Potency determination of biochemical kinase inhibition test. Kinase activity test and IC50 determination. Firstly, 10 ng of recombinant CDK4/Cyclin D... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q23R0X09 |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 6/G1/S-specific cyclin-D1
(Homo sapiens (Human)) | BDBM513528
(US11091485, Compound I-9)Show SMILES CC(C)c1cnc2ccc3cnc(Nc4ccc(N5CCNCC5)c(C)n4)nc3n12 | PDB
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| PC cid
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| US Patent
| n/a | n/a | <1 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Potency determination of biochemical kinase inhibition test. Kinase activity test and IC50 determination. Firstly, 10 ng of recombinant CDK4/Cyclin D... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q23R0X09 |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 6/G1/S-specific cyclin-D1
(Homo sapiens (Human)) | BDBM513527
(US11091485, Compound I-8)Show SMILES CC(C)c1cnc2ccc3cnc(Nc4cc(C)c(cn4)N4CCNCC4)nc3n12 | PDB
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TBA
| Assay Description
Potency determination of biochemical kinase inhibition test. Kinase activity test and IC50 determination. Firstly, 10 ng of recombinant CDK4/Cyclin D... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q23R0X09 |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 6/G1/S-specific cyclin-D1
(Homo sapiens (Human)) | BDBM513524
(US11091485, Compound I-5)Show SMILES CCN1CCN(CC1)c1ccc(Nc2ncc3ccc4ncc(C(C)C)n4c3n2)nc1 | PDB
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TBA
| Assay Description
Potency determination of biochemical kinase inhibition test. Kinase activity test and IC50 determination. Firstly, 10 ng of recombinant CDK4/Cyclin D... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q23R0X09 |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 6/G1/S-specific cyclin-D1
(Homo sapiens (Human)) | BDBM513520
(US11091485, Compound I-2)Show SMILES CC(C)c1cnc2ccc3cnc(Nc4ccc(cn4)N4CCN(C)CC4)nc3n12 | PDB
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TBA
| Assay Description
Potency determination of biochemical kinase inhibition test. Kinase activity test and IC50 determination. Firstly, 10 ng of recombinant CDK4/Cyclin D... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q23R0X09 |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 6/G1/S-specific cyclin-D1
(Homo sapiens (Human)) | BDBM513519
(US11091485, Compound I-1)Show SMILES CC(C)c1cnc2ccc3cnc(Nc4ccc(cn4)N4CCNCC4)nc3n12 | PDB
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| n/a | n/a | <1 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Potency determination of biochemical kinase inhibition test. Kinase activity test and IC50 determination. Firstly, 10 ng of recombinant CDK4/Cyclin D... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q23R0X09 |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 6/G1/S-specific cyclin-D1
(Homo sapiens (Human)) | BDBM621177
(US20230303564, Compound 19)Show SMILES Cc1cn(C)nc1Nc1nc(cc2cnc(NC3CCN(CC3)S(C)(=O)=O)nc12)C(F)F | PDB
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| | n/a | n/a | 1.15 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
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More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 6/G1/S-specific cyclin-D1
(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 | 1.22 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2ZP4B70 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Cyclin-dependent kinase 6/G1/S-specific cyclin-D1
(Homo sapiens (Human)) | BDBM621176
(US20230303564, Compound 18)Show SMILES CC(Nc1nc(cc2cnc(NC3CCN(CC3)S(C)(=O)=O)nc12)C(F)F)C(F)(F)F | PDB
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| | n/a | n/a | 1.32 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 6/G1/S-specific cyclin-D1
(Homo sapiens (Human)) | BDBM621180
(US20230303564, Compound 22)Show SMILES CS(=O)(=O)N1CCC(CC1)Nc1ncc2cc(nc(N[C@@H]3CCCC3(F)F)c2n1)C(F)F |r| | PDB
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| | n/a | n/a | 1.36 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 6/G1/S-specific cyclin-D1
(Homo sapiens (Human)) | BDBM621171
(US20230303564, Compound 4)Show SMILES CS(=O)(=O)N1CCC(CC1)Nc1ncc2ccnc(NC3CCCC3)c2n1 | PDB
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| PC cid
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| | n/a | n/a | 1.49 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 6/G1/S-specific cyclin-D1
(Homo sapiens (Human)) | BDBM621172
(US20230303564, Compound 6 | US20230303564, Compoun...)Show SMILES Cc1cc2cnc(NC3CCN(CC3)S(C)(=O)=O)nc2c(N[C@@H]2CCC[C@@]2(C)O)n1 |r| | PDB
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| | n/a | n/a | 1.56 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 6/G1/S-specific cyclin-D1
(Homo sapiens (Human)) | BDBM621175
(US20230303564, Compound 14)Show SMILES C[C@@]1(O)CCC[C@H]1Nc1nc(cc2cnc(NC3CCN(CC3)S(C)(=O)=O)nc12)C(F)F |r| | PDB
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| | n/a | n/a | 1.69 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
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More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 6/G1/S-specific cyclin-D1
(Homo sapiens (Human)) | BDBM50270304
(CHEMBL4077071)Show SMILES CN1CCN(Cc2ccc(NC(=O)c3n[nH]cc3Nc3ncnc4[nH]ccc34)cc2)CC1 Show InChI InChI=1S/C22H25N9O/c1-30-8-10-31(11-9-30)13-15-2-4-16(5-3-15)27-22(32)19-18(12-26-29-19)28-21-17-6-7-23-20(17)24-14-25-21/h2-7,12,14H,8-11,13H2,1H3,(H,26,29)(H,27,32)(H2,23,24,25,28) | PDB
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| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of human CDK6/Cyclin D1 using RB protein as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition measure after 120 mins... |
J Med Chem 61: 1499-1518 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01261
BindingDB Entry DOI: 10.7270/Q2FR003K |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 6/G1/S-specific cyclin-D1
(Homo sapiens (Human)) | BDBM621170
(US20230303564, Compound 1)Show SMILES C[C@@]1(O)CCC[C@H]1Nc1nccc2cnc(NC3CCN(CC3)S(C)(=O)=O)nc12 |r| | PDB
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| | n/a | n/a | 2.28 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 6/G1/S-specific cyclin-D1
(Homo sapiens (Human)) | BDBM50059889
((staurosporine)3-methoxy-2-methyl-4-methylamino-(2...)Show SMILES CN[C@@H]1CC2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20?,26-,28+/m1/s1 | PDB
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| n/a | n/a | 2.90 | n/a | n/a | n/a | n/a | n/a | n/a |
H. Lee Moffitt Cancer Center and Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of CDK6/Cyclin D1 (unknown origin)-mediated phosphorylation of peptide substrate incubated for 15 mins prior to substrate addition measure... |
J Med Chem 56: 3768-82 (2013)
Article DOI: 10.1021/jm301234k
BindingDB Entry DOI: 10.7270/Q25T3MV7 |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 6/G1/S-specific cyclin-D1
(Homo sapiens (Human)) | BDBM6309
(6-Acetyl-8-cyclopentyl-5-methyl-2-(5-piperazin-1-y...)Show SMILES CC(=O)c1c(C)c2cnc(Nc3ccc(cn3)N3CCNCC3)nc2n(C2CCCC2)c1=O Show InChI InChI=1S/C24H29N7O2/c1-15-19-14-27-24(28-20-8-7-18(13-26-20)30-11-9-25-10-12-30)29-22(19)31(17-5-3-4-6-17)23(33)21(15)16(2)32/h7-8,13-14,17,25H,3-6,9-12H2,1-2H3,(H,26,27,28,29) | PDB
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| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmcl.2022.128991
BindingDB Entry DOI: 10.7270/Q28S4V1B |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Cyclin-dependent kinase 6/G1/S-specific cyclin-D1
(Homo sapiens (Human)) | BDBM513537
(US11091485, Compound I-18)Show SMILES CC(C)c1cnc2ccc3cnc(Nc4cc(C)c(cn4)N4CCOCC4)nc3n12 | PDB
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TBA
| Assay Description
Potency determination of biochemical kinase inhibition test. Kinase activity test and IC50 determination. Firstly, 10 ng of recombinant CDK4/Cyclin D... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q23R0X09 |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 6/G1/S-specific cyclin-D1
(Homo sapiens (Human)) | BDBM513557
(US11091485, Compound I-38)Show SMILES Cc1cc(Nc2ncc3ccc4ncc(C5CCCC5)n4c3n2)ncc1N1CCOCC1 | PDB
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TBA
| Assay Description
Potency determination of biochemical kinase inhibition test. Kinase activity test and IC50 determination. Firstly, 10 ng of recombinant CDK4/Cyclin D... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q23R0X09 |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 6/G1/S-specific cyclin-D1
(Homo sapiens (Human)) | BDBM6309
(6-Acetyl-8-cyclopentyl-5-methyl-2-(5-piperazin-1-y...)Show SMILES CC(=O)c1c(C)c2cnc(Nc3ccc(cn3)N3CCNCC3)nc2n(C2CCCC2)c1=O Show InChI InChI=1S/C24H29N7O2/c1-15-19-14-27-24(28-20-8-7-18(13-26-20)30-11-9-25-10-12-30)29-22(19)31(17-5-3-4-6-17)23(33)21(15)16(2)32/h7-8,13-14,17,25H,3-6,9-12H2,1-2H3,(H,26,27,28,29) | PDB
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| n/a | n/a | 3.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Icahn School of Medicine at Mount Sinai
Curated by ChEMBL
| Assay Description
Inhibition of CDK6/cyclinD1 (unknown origin) |
J Med Chem 57: 578-99 (2014)
Article DOI: 10.1021/jm401073p
BindingDB Entry DOI: 10.7270/Q28W3FSW |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Cyclin-dependent kinase 6/G1/S-specific cyclin-D1
(Homo sapiens (Human)) | BDBM50270306
(CHEMBL4077074)Show SMILES O=C(Nc1ccc(CN2CCOCC2)cc1)c1n[nH]cc1Nc1ncnc2sccc12 Show InChI InChI=1S/C21H21N7O2S/c29-20(25-15-3-1-14(2-4-15)12-28-6-8-30-9-7-28)18-17(11-24-27-18)26-19-16-5-10-31-21(16)23-13-22-19/h1-5,10-11,13H,6-9,12H2,(H,24,27)(H,25,29)(H,22,23,26) | PDB
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China Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of human CDK6/Cyclin D1 using RB protein as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition measure after 120 mins... |
J Med Chem 61: 1499-1518 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01261
BindingDB Entry DOI: 10.7270/Q2FR003K |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 6/G1/S-specific cyclin-D1
(Homo sapiens (Human)) | BDBM50592040
(CHEMBL1989043)Show SMILES CN1CCN(CC1)c1ccc(Nc2nc(N)c(s2)C(=O)c2c(Cl)cccc2Cl)cc1 | PDB
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TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2022.114433
BindingDB Entry DOI: 10.7270/Q2BV7MMH |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 6/G1/S-specific cyclin-D1
(Homo sapiens (Human)) | BDBM50270303
(CHEMBL4061686)Show SMILES CN1CCN(Cc2ccc(NC(=O)c3n[nH]cc3Nc3ncnc4ccsc34)cc2)CC1 Show InChI InChI=1S/C22H24N8OS/c1-29-7-9-30(10-8-29)13-15-2-4-16(5-3-15)26-22(31)19-18(12-25-28-19)27-21-20-17(6-11-32-20)23-14-24-21/h2-6,11-12,14H,7-10,13H2,1H3,(H,25,28)(H,26,31)(H,23,24,27) | PDB
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China Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of human CDK6/Cyclin D1 using RB protein as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition measure after 120 mins... |
J Med Chem 61: 1499-1518 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01261
BindingDB Entry DOI: 10.7270/Q2FR003K |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 6/G1/S-specific cyclin-D1
(Homo sapiens (Human)) | BDBM50270298
(CHEMBL4075720)Show SMILES CN1CCN(Cc2ccc(NC(=O)c3n[nH]cc3Nc3ncnc4sccc34)cc2)CC1 Show InChI InChI=1S/C22H24N8OS/c1-29-7-9-30(10-8-29)13-15-2-4-16(5-3-15)26-21(31)19-18(12-25-28-19)27-20-17-6-11-32-22(17)24-14-23-20/h2-6,11-12,14H,7-10,13H2,1H3,(H,25,28)(H,26,31)(H,23,24,27) | PDB
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China Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of human CDK6/Cyclin D1 using RB protein as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition measure after 120 mins... |
J Med Chem 61: 1499-1518 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01261
BindingDB Entry DOI: 10.7270/Q2FR003K |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 6/G1/S-specific cyclin-D1
(Homo sapiens (Human)) | BDBM50270305
(CHEMBL4103338)Show SMILES CN1CCN(Cc2ccc(NC(=O)c3n[nH]cc3Nc3ncnc4occc34)cc2)CC1 Show InChI InChI=1S/C22H24N8O2/c1-29-7-9-30(10-8-29)13-15-2-4-16(5-3-15)26-21(31)19-18(12-25-28-19)27-20-17-6-11-32-22(17)24-14-23-20/h2-6,11-12,14H,7-10,13H2,1H3,(H,25,28)(H,26,31)(H,23,24,27) | PDB
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China Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of human CDK6/Cyclin D1 using RB protein as substrate preincubated for 20 mins followed by [gamma-33P]-ATP addition measure after 120 mins... |
J Med Chem 61: 1499-1518 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01261
BindingDB Entry DOI: 10.7270/Q2FR003K |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 6/G1/S-specific cyclin-D1
(Homo sapiens (Human)) | BDBM50433369
(CHEMBL2377825)Show SMILES Nc1nc(Nc2ccc(cc2)S(N)(=O)=O)sc1C(=O)c1ccccc1[N+]([O-])=O Show InChI InChI=1S/C16H13N5O5S2/c17-15-14(13(22)11-3-1-2-4-12(11)21(23)24)27-16(20-15)19-9-5-7-10(8-6-9)28(18,25)26/h1-8H,17H2,(H,19,20)(H2,18,25,26) | PDB
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| n/a | n/a | 6.60 | n/a | n/a | n/a | n/a | n/a | n/a |
H. Lee Moffitt Cancer Center and Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of CDK6/Cyclin D1 (unknown origin)-mediated phosphorylation of peptide substrate incubated for 15 mins prior to substrate addition measure... |
J Med Chem 56: 3768-82 (2013)
Article DOI: 10.1021/jm301234k
BindingDB Entry DOI: 10.7270/Q25T3MV7 |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 6/G1/S-specific cyclin-D1
(Homo sapiens (Human)) | BDBM621181
(US20230303564, Compound 23)Show SMILES C[C@@H]1CN(CC[C@@H]1Nc1ncc2cc(nc(N[C@H]3CCCC3(F)F)c2n1)C(F)F)C(=O)OC(C)(C)C |r| | PDB
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TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 6/G1/S-specific cyclin-D1
(Homo sapiens (Human)) | BDBM513539
(US11091485, Compound I-20)Show SMILES CC(C)c1cnc2ccc3cnc(Nc4ccc(cn4)N4CCOC(C)C4)nc3n12 | PDB
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TBA
| Assay Description
Potency determination of biochemical kinase inhibition test. Kinase activity test and IC50 determination. Firstly, 10 ng of recombinant CDK4/Cyclin D... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q23R0X09 |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 6/G1/S-specific cyclin-D1
(Homo sapiens (Human)) | BDBM513551
(US11091485, Compound I-32)Show SMILES CCN1CCN(CC1)c1cnc(Nc2ncc3ccc4ncc(C5CCCC5)n4c3n2)cc1C | PDB
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TBA
| Assay Description
Potency determination of biochemical kinase inhibition test. Kinase activity test and IC50 determination. Firstly, 10 ng of recombinant CDK4/Cyclin D... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q23R0X09 |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 6/G1/S-specific cyclin-D1
(Homo sapiens (Human)) | BDBM513554
(US11091485, Compound I-35)Show SMILES C[C@H]1CN(C[C@@H](C)N1)c1ccc(Nc2ncc3ccc4ncc(C5CCCC5)n4c3n2)nc1 |r| | PDB
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TBA
| Assay Description
Potency determination of biochemical kinase inhibition test. Kinase activity test and IC50 determination. Firstly, 10 ng of recombinant CDK4/Cyclin D... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q23R0X09 |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 6/G1/S-specific cyclin-D1
(Homo sapiens (Human)) | BDBM513556
(US11091485, Compound I-37)Show SMILES Fc1nc(Nc2ncc3ccc4ncc(C5CCCC5)n4c3n2)ccc1N1CCNCC1 | PDB
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TBA
| Assay Description
Potency determination of biochemical kinase inhibition test. Kinase activity test and IC50 determination. Firstly, 10 ng of recombinant CDK4/Cyclin D... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q23R0X09 |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 6/G1/S-specific cyclin-D1
(Homo sapiens (Human)) | BDBM513532
(US11091485, Compound I-13)Show SMILES CC(C)c1cnc2ccc3cnc(Nc4cc(F)c(cn4)N4CCNCC4)nc3n12 | PDB
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TBA
| Assay Description
Potency determination of biochemical kinase inhibition test. Kinase activity test and IC50 determination. Firstly, 10 ng of recombinant CDK4/Cyclin D... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q23R0X09 |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 6/G1/S-specific cyclin-D1
(Homo sapiens (Human)) | BDBM513522
(US11091485, Compound I-4)Show SMILES CC(C)c1cnc2ccc3cnc(Nc4ccc(N5CCN(C)CC5)c(C)n4)nc3n12 | PDB
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TBA
| Assay Description
Potency determination of biochemical kinase inhibition test. Kinase activity test and IC50 determination. Firstly, 10 ng of recombinant CDK4/Cyclin D... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q23R0X09 |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 6/G1/S-specific cyclin-D1
(Homo sapiens (Human)) | BDBM513525
(US11091485, Compound I-6)Show SMILES CCN1CCN(CC1)c1cnc(Nc2ncc3ccc4ncc(C(C)C)n4c3n2)cc1C | PDB
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TBA
| Assay Description
Potency determination of biochemical kinase inhibition test. Kinase activity test and IC50 determination. Firstly, 10 ng of recombinant CDK4/Cyclin D... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q23R0X09 |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 6/G1/S-specific cyclin-D1
(Homo sapiens (Human)) | BDBM513526
(US11091485, Compound I-7)Show SMILES CCN1CCN(CC1)c1ccc(Nc2ncc3ccc4ncc(C(C)C)n4c3n2)nc1C | PDB
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TBA
| Assay Description
Potency determination of biochemical kinase inhibition test. Kinase activity test and IC50 determination. Firstly, 10 ng of recombinant CDK4/Cyclin D... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q23R0X09 |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 6/G1/S-specific cyclin-D1
(Homo sapiens (Human)) | BDBM513529
(US11091485, Compound I-10)Show SMILES CC(C)c1cnc2ccc3cnc(Nc4ccc(cn4)N4CCN[C@@H](C)C4)nc3n12 |r| | PDB
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TBA
| Assay Description
Potency determination of biochemical kinase inhibition test. Kinase activity test and IC50 determination. Firstly, 10 ng of recombinant CDK4/Cyclin D... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q23R0X09 |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 6/G1/S-specific cyclin-D1
(Homo sapiens (Human)) | BDBM513530
(US11091485, Compound I-11)Show SMILES CC(C)c1cnc2ccc3cnc(Nc4ccc(cn4)N4CCNC(C)(C)C4)nc3n12 | PDB
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TBA
| Assay Description
Potency determination of biochemical kinase inhibition test. Kinase activity test and IC50 determination. Firstly, 10 ng of recombinant CDK4/Cyclin D... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q23R0X09 |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 6/G1/S-specific cyclin-D1
(Homo sapiens (Human)) | BDBM513531
(US11091485, Compound I-12)Show SMILES CC(C)c1cnc2ccc3cnc(Nc4ccc(cn4)N4C[C@H](C)N[C@H](C)C4)nc3n12 |r| | PDB
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TBA
| Assay Description
Potency determination of biochemical kinase inhibition test. Kinase activity test and IC50 determination. Firstly, 10 ng of recombinant CDK4/Cyclin D... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q23R0X09 |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 6/G1/S-specific cyclin-D1
(Homo sapiens (Human)) | BDBM513538
(US11091485, Compound I-19)Show SMILES CC(C)c1cnc2ccc3cnc(Nc4ccc(N5CCOCC5)c(C)n4)nc3n12 | PDB
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TBA
| Assay Description
Potency determination of biochemical kinase inhibition test. Kinase activity test and IC50 determination. Firstly, 10 ng of recombinant CDK4/Cyclin D... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q23R0X09 |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 6/G1/S-specific cyclin-D1
(Homo sapiens (Human)) | BDBM513521
(US11091485, Compound I-3)Show SMILES CC(C)c1cnc2ccc3cnc(Nc4cc(C)c(cn4)N4CCN(C)CC4)nc3n12 | PDB
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TBA
| Assay Description
Potency determination of biochemical kinase inhibition test. Kinase activity test and IC50 determination. Firstly, 10 ng of recombinant CDK4/Cyclin D... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q23R0X09 |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 6/G1/S-specific cyclin-D1
(Homo sapiens (Human)) | BDBM524489
(US11168088, Compound P-27)Show SMILES CC(C)n1nc-2c(Cc3cnc(Nc4ccc(cn4)N4CCNCC4)nc-23)c1C(F)F | PDB
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| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2PN98SD |
More data for this
Ligand-Target Pair | |
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