Compile Data Set for Download or QSAR

Found 59 hits of ic50 for UniProtKB: P06493   

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 1/G1/S-specific cyclin-D3 (Homo sapiens (Human))	BDBM50464609 (CHEMBL4289226 | US11091476, Example 20) Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc(F)c(n2)-c2cc3c(N=C(C)C33CCCC3)c(F)c2)nc1 |t:25| Show InChI InChI=1S/C27H29F2N7/c1-17-27(7-3-4-8-27)20-13-18(14-21(28)25(20)32-17)24-22(29)16-31-26(34-24)33-23-6-5-19(15-30-23)36-11-9-35(2)10-12-36/h5-6,13-16H,3-4,7-12H2,1-2H3,(H,30,31,33,34)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.240	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 1/G1/S-specific cyclin-D3 (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 UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.420	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 1/G1/S-specific cyclin-D3 (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 UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.420	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 1/G1/S-specific cyclin-D3 (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 UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.420	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 1/G1/S-specific cyclin-D3 (Homo sapiens (Human))	BDBM50464632 (CHEMBL4279832 | US11091476, Example 30) Show SMILES CC1=Nc2c(cc(cc2F)-c2nc(Nc3ccc(cn3)C3CCN(CCO)CC3)ncc2F)C11CCCC1 |t:1| Show InChI InChI=1S/C29H32F2N6O/c1-18-29(8-2-3-9-29)22-14-21(15-23(30)27(22)34-18)26-24(31)17-33-28(36-26)35-25-5-4-20(16-32-25)19-6-10-37(11-7-19)12-13-38/h4-5,14-17,19,38H,2-3,6-13H2,1H3,(H,32,33,35,36)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.430	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 1/G1/S-specific cyclin-D3 (Homo sapiens (Human))	BDBM50464636 (CHEMBL4287693 | US11091476, Example 22) Show SMILES CCN1CCN(CC1)c1ccc(Nc2ncc(F)c(n2)-c2ccc3N=C(C)C4(CCCC4)c3c2)nc1 |t:26| Show InChI InChI=1S/C28H32FN7/c1-3-35-12-14-36(15-13-35)21-7-9-25(30-17-21)33-27-31-18-23(29)26(34-27)20-6-8-24-22(16-20)28(19(2)32-24)10-4-5-11-28/h6-9,16-18H,3-5,10-15H2,1-2H3,(H,30,31,33,34)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.5	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 1/G1/S-specific cyclin-D3 (Homo sapiens (Human))	BDBM50464623 (CHEMBL4287743 | US11091476, Example 28) Show SMILES CC1=Nc2c(cc(cc2F)-c2nc(Nc3ccc(cn3)N3CCN(CCO)CC3)ncc2F)C11CCCC1 |t:1| Show InChI InChI=1S/C28H31F2N7O/c1-18-28(6-2-3-7-28)21-14-19(15-22(29)26(21)33-18)25-23(30)17-32-27(35-25)34-24-5-4-20(16-31-24)37-10-8-36(9-11-37)12-13-38/h4-5,14-17,38H,2-3,6-13H2,1H3,(H,31,32,34,35)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.960	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 1/G1/S-specific cyclin-D3 (Homo sapiens (Human))	BDBM50464630 (CHEMBL4281514 | US11091476, Example 18) Show SMILES CCC1(C)C(C)=Nc2c1cc(cc2F)-c1nc(Nc2ccc(cn2)N2CCN(C)CC2)ncc1F |c:5| Show InChI InChI=1S/C26H29F2N7/c1-5-26(3)16(2)31-24-19(26)12-17(13-20(24)27)23-21(28)15-30-25(33-23)32-22-7-6-18(14-29-22)35-10-8-34(4)9-11-35/h6-7,12-15H,5,8-11H2,1-4H3,(H,29,30,32,33)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	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 1/G1/S-specific cyclin-D3 (Homo sapiens (Human))	BDBM50464618 (CHEMBL4294940 | US11091476, Example 25) Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc(F)c(n2)-c2ccc3N=C(C)C4(CCCC4)c3c2)nc1 |t:25| Show InChI InChI=1S/C27H30FN7/c1-18-27(9-3-4-10-27)21-15-19(5-7-23(21)31-18)25-22(28)17-30-26(33-25)32-24-8-6-20(16-29-24)35-13-11-34(2)12-14-35/h5-8,15-17H,3-4,9-14H2,1-2H3,(H,29,30,32,33)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.09	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 1/G1/S-specific cyclin-D3 (Homo sapiens (Human))	BDBM50464628 (CHEMBL4284301 | US11091476, Example 24) Show SMILES CCC1(C)C(C)=Nc2c1cc(cc2F)-c1nc(Nc2ccc(cn2)C2CCN(C)CC2)ncc1F |c:5| Show InChI InChI=1S/C27H30F2N6/c1-5-27(3)16(2)32-25-20(27)12-19(13-21(25)28)24-22(29)15-31-26(34-24)33-23-7-6-18(14-30-23)17-8-10-35(4)11-9-17/h6-7,12-15,17H,5,8-11H2,1-4H3,(H,30,31,33,34)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.74	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 1/G1/S-specific cyclin-D3 (Homo sapiens (Human))	BDBM50464628 (CHEMBL4284301 | US11091476, Example 24) Show SMILES CCC1(C)C(C)=Nc2c1cc(cc2F)-c1nc(Nc2ccc(cn2)C2CCN(C)CC2)ncc1F |c:5| Show InChI InChI=1S/C27H30F2N6/c1-5-27(3)16(2)32-25-20(27)12-19(13-21(25)28)24-22(29)15-31-26(34-24)33-23-7-6-18(14-30-23)17-8-10-35(4)11-9-17/h6-7,12-15,17H,5,8-11H2,1-4H3,(H,30,31,33,34)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.74	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 1/G1/S-specific cyclin-D3 (Homo sapiens (Human))	BDBM50464633 (CHEMBL4285830 | US11091476, Example 13) Show SMILES CC1=Nc2c(cc(cc2F)-c2nc(Nc3ccc(cn3)C3CCNCC3)ncc2F)C11CCCC1 |t:1| Show InChI InChI=1S/C27H28F2N6/c1-16-27(8-2-3-9-27)20-12-19(13-21(28)25(20)33-16)24-22(29)15-32-26(35-24)34-23-5-4-18(14-31-23)17-6-10-30-11-7-17/h4-5,12-15,17,30H,2-3,6-11H2,1H3,(H,31,32,34,35)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.56	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 1/G1/S-specific cyclin-D3 (Homo sapiens (Human))	BDBM50464633 (CHEMBL4285830 | US11091476, Example 13) Show SMILES CC1=Nc2c(cc(cc2F)-c2nc(Nc3ccc(cn3)C3CCNCC3)ncc2F)C11CCCC1 |t:1| Show InChI InChI=1S/C27H28F2N6/c1-16-27(8-2-3-9-27)20-12-19(13-21(28)25(20)33-16)24-22(29)15-32-26(35-24)34-23-5-4-18(14-31-23)17-6-10-30-11-7-17/h4-5,12-15,17,30H,2-3,6-11H2,1H3,(H,31,32,34,35)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.56	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 1/G1/S-specific cyclin-D3 (Homo sapiens (Human))	BDBM50464634 (CHEMBL4286100 | US11091476, Example 27) Show SMILES CCN1CCN(CC1)c1ccc(Nc2ncc(F)c(n2)-c2cc3c(N=C(C)C33CCCC3)c(F)c2)nc1 |t:26| Show InChI InChI=1S/C28H31F2N7/c1-3-36-10-12-37(13-11-36)20-6-7-24(31-16-20)34-27-32-17-23(30)25(35-27)19-14-21-26(22(29)15-19)33-18(2)28(21)8-4-5-9-28/h6-7,14-17H,3-5,8-13H2,1-2H3,(H,31,32,34,35)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.83	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 1/G1/S-specific cyclin-D3 (Homo sapiens (Human))	BDBM50464622 (CHEMBL4280423 | US11091476, Example 7) Show SMILES CCC1(C)C(C)=Nc2c1cc(cc2F)-c1nc(Nc2ccc(cn2)N2CCNCC2)ncc1F |c:5| Show InChI InChI=1S/C25H27F2N7/c1-4-25(3)15(2)31-23-18(25)11-16(12-19(23)26)22-20(27)14-30-24(33-22)32-21-6-5-17(13-29-21)34-9-7-28-8-10-34/h5-6,11-14,28H,4,7-10H2,1-3H3,(H,29,30,32,33)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.58	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 1/G1/S-specific cyclin-D3 (Homo sapiens (Human))	BDBM50464622 (CHEMBL4280423 | US11091476, Example 7) Show SMILES CCC1(C)C(C)=Nc2c1cc(cc2F)-c1nc(Nc2ccc(cn2)N2CCNCC2)ncc1F |c:5| Show InChI InChI=1S/C25H27F2N7/c1-4-25(3)15(2)31-23-18(25)11-16(12-19(23)26)22-20(27)14-30-24(33-22)32-21-6-5-17(13-29-21)34-9-7-28-8-10-34/h5-6,11-14,28H,4,7-10H2,1-3H3,(H,29,30,32,33)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.58	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 1/G1/S-specific cyclin-D3 (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 UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	PDB US Patent	n/a	n/a	5.08	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 1/G1/S-specific cyclin-D3 (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 UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	PDB US Patent	n/a	n/a	5.08	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 1/G1/S-specific cyclin-D3 (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 UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	PDB US Patent	n/a	n/a	5.08	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 1/G1/S-specific cyclin-D3 (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 UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	US Patent	n/a	n/a	5.36	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 1/G1/S-specific cyclin-D3 (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 UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	US Patent	n/a	n/a	5.36	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 1/G1/S-specific cyclin-D3 (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 UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	US Patent	n/a	n/a	5.36	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 1/G1/S-specific cyclin-D3 (Homo sapiens (Human))	BDBM50464611 (CHEMBL4280895 | US11091476, Example 26) Show SMILES CCN1CCC(CC1)c1ccc(Nc2ncc(F)c(n2)-c2cc3c(N=C(C)C3(C)CC)c(F)c2)nc1 |t:26| Show InChI InChI=1S/C28H32F2N6/c1-5-28(4)17(3)33-26-21(28)13-20(14-22(26)29)25-23(30)16-32-27(35-25)34-24-8-7-19(15-31-24)18-9-11-36(6-2)12-10-18/h7-8,13-16,18H,5-6,9-12H2,1-4H3,(H,31,32,34,35)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	10.9	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 1/G1/S-specific cyclin-D3 (Homo sapiens (Human))	BDBM50464624 (CHEMBL4284768 | US11091476, Example 9) Show SMILES CCN1CCN(Cc2ccc(Nc3ncc(F)c(n3)-c3ccc4N=C(C)C5(CCCC5)c4c3)nc2)CC1 |t:24| Show InChI InChI=1S/C29H34FN7/c1-3-36-12-14-37(15-13-36)19-21-6-9-26(31-17-21)34-28-32-18-24(30)27(35-28)22-7-8-25-23(16-22)29(20(2)33-25)10-4-5-11-29/h6-9,16-18H,3-5,10-15,19H2,1-2H3,(H,31,32,34,35)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	14.4	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 1/G1/S-specific cyclin-D3 (Homo sapiens (Human))	BDBM50464624 (CHEMBL4284768 | US11091476, Example 9) Show SMILES CCN1CCN(Cc2ccc(Nc3ncc(F)c(n3)-c3ccc4N=C(C)C5(CCCC5)c4c3)nc2)CC1 |t:24| Show InChI InChI=1S/C29H34FN7/c1-3-36-12-14-37(15-13-36)19-21-6-9-26(31-17-21)34-28-32-18-24(30)27(35-28)22-7-8-25-23(16-22)29(20(2)33-25)10-4-5-11-29/h6-9,16-18H,3-5,10-15,19H2,1-2H3,(H,31,32,34,35)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	14.4	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 1/G1/S-specific cyclin-D3 (Homo sapiens (Human))	BDBM50464619 (CHEMBL4292139 | US11091476, Example 16) Show SMILES CCC1(CC)C(C)=Nc2c1cc(cc2F)-c1nc(Nc2ccc(cn2)N2CCN(C)CC2)ncc1F |c:6| Show InChI InChI=1S/C27H31F2N7/c1-5-27(6-2)17(3)32-25-20(27)13-18(14-21(25)28)24-22(29)16-31-26(34-24)33-23-8-7-19(15-30-23)36-11-9-35(4)10-12-36/h7-8,13-16H,5-6,9-12H2,1-4H3,(H,30,31,33,34)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	16.4	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 1/G1/S-specific cyclin-D3 (Homo sapiens (Human))	BDBM50464619 (CHEMBL4292139 | US11091476, Example 16) Show SMILES CCC1(CC)C(C)=Nc2c1cc(cc2F)-c1nc(Nc2ccc(cn2)N2CCN(C)CC2)ncc1F |c:6| Show InChI InChI=1S/C27H31F2N7/c1-5-27(6-2)17(3)32-25-20(27)13-18(14-21(25)28)24-22(29)16-31-26(34-24)33-23-8-7-19(15-30-23)36-11-9-35(4)10-12-36/h7-8,13-16H,5-6,9-12H2,1-4H3,(H,30,31,33,34)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	16.4	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 1/G1/S-specific cyclin-D3 (Homo sapiens (Human))	BDBM50464616 (CHEMBL4290839 | US11091476, Example 10) Show SMILES CCN1CCN(Cc2ccc(Nc3ncc(F)c(n3)-c3cc4c(N=C(C)C4(CC)CC)c(F)c3)nc2)CC1 |t:24| Show InChI InChI=1S/C29H35F2N7/c1-5-29(6-2)19(4)34-27-22(29)14-21(15-23(27)30)26-24(31)17-33-28(36-26)35-25-9-8-20(16-32-25)18-38-12-10-37(7-3)11-13-38/h8-9,14-17H,5-7,10-13,18H2,1-4H3,(H,32,33,35,36)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	27	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 1/G1/S-specific cyclin-D3 (Homo sapiens (Human))	BDBM50464615 (CHEMBL4289350 | US11091476, Example 3) Show SMILES CCN1CCN(Cc2ccc(Nc3ncc(F)c(n3)-c3cc4c(N=C(C)C44CCCC4)c(F)c3)nc2)CC1 |t:24| Show InChI InChI=1S/C29H33F2N7/c1-3-37-10-12-38(13-11-37)18-20-6-7-25(32-16-20)35-28-33-17-24(31)26(36-28)21-14-22-27(23(30)15-21)34-19(2)29(22)8-4-5-9-29/h6-7,14-17H,3-5,8-13,18H2,1-2H3,(H,32,33,35,36)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	50	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 1/G1/S-specific cyclin-D3 (Homo sapiens (Human))	BDBM50464615 (CHEMBL4289350 | US11091476, Example 3) Show SMILES CCN1CCN(Cc2ccc(Nc3ncc(F)c(n3)-c3cc4c(N=C(C)C44CCCC4)c(F)c3)nc2)CC1 |t:24| Show InChI InChI=1S/C29H33F2N7/c1-3-37-10-12-38(13-11-37)18-20-6-7-25(32-16-20)35-28-33-17-24(31)26(36-28)21-14-22-27(23(30)15-21)34-19(2)29(22)8-4-5-9-29/h6-7,14-17H,3-5,8-13,18H2,1-2H3,(H,32,33,35,36)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	50	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 1/G1/S-specific cyclin-D3 (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 UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	56	n/a	n/a	n/a	n/a	n/a	n/a
Beijing University of Technology Curated by ChEMBL					Assay Description Inhibition of recombinant human full length CDK1/Cyclin D3 expressed in baculovirus infected Sf9 insect cells using histone H1 substrate after 90 min...				Bioorg Med Chem Lett 28: 974-978 (2018) Article DOI: 10.1016/j.bmcl.2017.12.068 BindingDB Entry DOI: 10.7270/Q2BC4236
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cyclin-dependent kinase 1/G1/S-specific cyclin-D3 (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 UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	57.2	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 1/G1/S-specific cyclin-D3 (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 UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	57.2	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 1/G1/S-specific cyclin-D3 (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 UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	57.2	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 1/G1/S-specific cyclin-D3 (Homo sapiens (Human))	BDBM50464639 (CHEMBL4291740 | US11091476, Example 1) Show SMILES CC1=Nc2c(cc(cc2F)-c2nc(Nc3ccc(cn3)N3CCNCC3)ncc2F)C1(C)C |t:1| Show InChI InChI=1S/C24H25F2N7/c1-14-24(2,3)17-10-15(11-18(25)22(17)30-14)21-19(26)13-29-23(32-21)31-20-5-4-16(12-28-20)33-8-6-27-7-9-33/h4-5,10-13,27H,6-9H2,1-3H3,(H,28,29,31,32)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	245	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 1/G1/S-specific cyclin-D3 (Homo sapiens (Human))	BDBM50464639 (CHEMBL4291740 | US11091476, Example 1) Show SMILES CC1=Nc2c(cc(cc2F)-c2nc(Nc3ccc(cn3)N3CCNCC3)ncc2F)C1(C)C |t:1| Show InChI InChI=1S/C24H25F2N7/c1-14-24(2,3)17-10-15(11-18(25)22(17)30-14)21-19(26)13-29-23(32-21)31-20-5-4-16(12-28-20)33-8-6-27-7-9-33/h4-5,10-13,27H,6-9H2,1-3H3,(H,28,29,31,32)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	245	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 1/G1/S-specific cyclin-D3 (Homo sapiens (Human))	BDBM50455057 (CHEMBL4215702 | US10696678, Example 20) Show SMILES CN1CCN(Cc2ccc(Nc3ncc(F)c(n3)-c3cc(F)c4nc5CCC(C)(C)n5c4c3)nc2)CC1 Show InChI InChI=1S/C27H30F2N8/c1-27(2)7-6-23-33-25-19(28)12-18(13-21(25)37(23)27)24-20(29)15-31-26(34-24)32-22-5-4-17(14-30-22)16-36-10-8-35(3)9-11-36/h4-5,12-15H,6-11,16H2,1-3H3,(H,30,31,32,34)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	354	n/a	n/a	n/a	n/a	n/a	n/a
Beijing University of Technology Curated by ChEMBL					Assay Description Inhibition of recombinant human full length CDK1/Cyclin D3 expressed in baculovirus infected Sf9 insect cells using histone H1 substrate after 90 min...				Bioorg Med Chem Lett 28: 974-978 (2018) Article DOI: 10.1016/j.bmcl.2017.12.068 BindingDB Entry DOI: 10.7270/Q2BC4236
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 1/G1/S-specific cyclin-D3 (Homo sapiens (Human))	BDBM50455068 (CHEMBL4205645 | US10696678, Example 22) Show SMILES CCN1CCN(Cc2ccc(Nc3nccc(n3)-c3cc(F)c4nc5CCC(C)(C)n5c4c3)nc2)CC1 Show InChI InChI=1S/C28H33FN8/c1-4-35-11-13-36(14-12-35)18-19-5-6-24(31-17-19)33-27-30-10-8-22(32-27)20-15-21(29)26-23(16-20)37-25(34-26)7-9-28(37,2)3/h5-6,8,10,15-17H,4,7,9,11-14,18H2,1-3H3,(H,30,31,32,33)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	610	n/a	n/a	n/a	n/a	n/a	n/a
Beijing University of Technology Curated by ChEMBL					Assay Description Inhibition of recombinant human full length CDK1/Cyclin D3 expressed in baculovirus infected Sf9 insect cells using histone H1 substrate after 90 min...				Bioorg Med Chem Lett 28: 974-978 (2018) Article DOI: 10.1016/j.bmcl.2017.12.068 BindingDB Entry DOI: 10.7270/Q2BC4236
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 1/G1/S-specific cyclin-D3 (Homo sapiens (Human))	BDBM50455051 (CHEMBL4210028 | US10696678, Example 24) Show SMILES CCN1CCN(Cc2ccc(Nc3ncc(F)c(n3)-c3ccc4nc5CCC(C)(C)n5c4c3)nc2)CC1 Show InChI InChI=1S/C28H33FN8/c1-4-35-11-13-36(14-12-35)18-19-5-8-24(30-16-19)33-27-31-17-21(29)26(34-27)20-6-7-22-23(15-20)37-25(32-22)9-10-28(37,2)3/h5-8,15-17H,4,9-14,18H2,1-3H3,(H,30,31,33,34)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	733	n/a	n/a	n/a	n/a	n/a	n/a
Beijing University of Technology Curated by ChEMBL					Assay Description Inhibition of recombinant human full length CDK1/Cyclin D3 expressed in baculovirus infected Sf9 insect cells using histone H1 substrate after 90 min...				Bioorg Med Chem Lett 28: 974-978 (2018) Article DOI: 10.1016/j.bmcl.2017.12.068 BindingDB Entry DOI: 10.7270/Q2BC4236
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 1/G1/S-specific cyclin-D3 (Homo sapiens (Human))	BDBM448932 (5-Fluoro-4-(5-fluoro-1,1-dimethyl-2,3-dihydro-1H-b...) Show SMILES CC1(C)CCc2nc3c(F)cc(cc3n12)-c1nc(Nc2ccc(CN3CCNCC3)cn2)ncc1F Show InChI InChI=1S/C26H28F2N8/c1-26(2)6-5-22-33-24-18(27)11-17(12-20(24)36(22)26)23-19(28)14-31-25(34-23)32-21-4-3-16(13-30-21)15-35-9-7-29-8-10-35/h3-4,11-14,29H,5-10,15H2,1-2H3,(H,30,31,32,34)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.37E+3	n/a	n/a	n/a	n/a	n/a	n/a
Beijing University of Technology Curated by ChEMBL					Assay Description Inhibition of recombinant human full length CDK1/Cyclin D3 expressed in baculovirus infected Sf9 insect cells using histone H1 substrate after 90 min...				Bioorg Med Chem Lett 28: 974-978 (2018) Article DOI: 10.1016/j.bmcl.2017.12.068 BindingDB Entry DOI: 10.7270/Q2BC4236
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 1/G1/S-specific cyclin-D3 (Homo sapiens (Human))	BDBM50455059 (CHEMBL4214566 | US10696678, Example 12) Show SMILES CCN1CCN(Cc2ccc(Nc3ncc(F)c(n3)-c3cc(F)c4nc5CCCn5c4c3)nc2)CC1 Show InChI InChI=1S/C26H28F2N8/c1-2-34-8-10-35(11-9-34)16-17-5-6-22(29-14-17)31-26-30-15-20(28)24(33-26)18-12-19(27)25-21(13-18)36-7-3-4-23(36)32-25/h5-6,12-15H,2-4,7-11,16H2,1H3,(H,29,30,31,33)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.46E+3	n/a	n/a	n/a	n/a	n/a	n/a
Beijing University of Technology Curated by ChEMBL					Assay Description Inhibition of recombinant human full length CDK1/Cyclin D3 expressed in baculovirus infected Sf9 insect cells using histone H1 substrate after 90 min...				Bioorg Med Chem Lett 28: 974-978 (2018) Article DOI: 10.1016/j.bmcl.2017.12.068 BindingDB Entry DOI: 10.7270/Q2BC4236
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 1/G1/S-specific cyclin-D3 (Homo sapiens (Human))	BDBM50455058 (CHEMBL4208366 | US10696678, Example 14) Show SMILES CCN1CCN(Cc2ccc(Nc3ncc(F)c(n3)-c3cc(F)c4nc5CCCCn5c4c3)nc2)CC1 Show InChI InChI=1S/C27H30F2N8/c1-2-35-9-11-36(12-10-35)17-18-6-7-23(30-15-18)32-27-31-16-21(29)25(34-27)19-13-20(28)26-22(14-19)37-8-4-3-5-24(37)33-26/h6-7,13-16H,2-5,8-12,17H2,1H3,(H,30,31,32,34)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.54E+3	n/a	n/a	n/a	n/a	n/a	n/a
Beijing University of Technology Curated by ChEMBL					Assay Description Inhibition of recombinant human full length CDK1/Cyclin D3 expressed in baculovirus infected Sf9 insect cells using histone H1 substrate after 90 min...				Bioorg Med Chem Lett 28: 974-978 (2018) Article DOI: 10.1016/j.bmcl.2017.12.068 BindingDB Entry DOI: 10.7270/Q2BC4236
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 1/G1/S-specific cyclin-D3 (Homo sapiens (Human))	BDBM50455065 (CHEMBL4204961 | US10696678, Example 16) Show SMILES CCN1CCN(Cc2ccc(Nc3ncc(F)c(n3)-c3cc(F)c4nc5CCCCCn5c4c3)nc2)CC1 Show InChI InChI=1S/C28H32F2N8/c1-2-36-10-12-37(13-11-36)18-19-7-8-24(31-16-19)33-28-32-17-22(30)26(35-28)20-14-21(29)27-23(15-20)38-9-5-3-4-6-25(38)34-27/h7-8,14-17H,2-6,9-13,18H2,1H3,(H,31,32,33,35)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.55E+3	n/a	n/a	n/a	n/a	n/a	n/a
Beijing University of Technology Curated by ChEMBL					Assay Description Inhibition of recombinant human full length CDK1/Cyclin D3 expressed in baculovirus infected Sf9 insect cells using histone H1 substrate after 90 min...				Bioorg Med Chem Lett 28: 974-978 (2018) Article DOI: 10.1016/j.bmcl.2017.12.068 BindingDB Entry DOI: 10.7270/Q2BC4236
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 1/G1/S-specific cyclin-D3 (Homo sapiens (Human))	BDBM50455048 (CHEMBL4210707 | US10696678, Example 36) Show SMILES CC1(C)CCc2nc3c(F)cc(cc3n12)-c1nc(Nc2ccc(CN3CCN(CCF)CC3)cn2)ncc1F Show InChI InChI=1S/C28H31F3N8/c1-28(2)6-5-24-35-26-20(30)13-19(14-22(26)39(24)28)25-21(31)16-33-27(36-25)34-23-4-3-18(15-32-23)17-38-11-9-37(8-7-29)10-12-38/h3-4,13-16H,5-12,17H2,1-2H3,(H,32,33,34,36)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.61E+3	n/a	n/a	n/a	n/a	n/a	n/a
Beijing University of Technology Curated by ChEMBL					Assay Description Inhibition of recombinant human full length CDK1/Cyclin D3 expressed in baculovirus infected Sf9 insect cells using histone H1 substrate after 90 min...				Bioorg Med Chem Lett 28: 974-978 (2018) Article DOI: 10.1016/j.bmcl.2017.12.068 BindingDB Entry DOI: 10.7270/Q2BC4236
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 1/G1/S-specific cyclin-D3 (Homo sapiens (Human))	BDBM50455054 (CHEMBL4207451 | US10696678, Example 48) Show SMILES CC1(C)CCc2nc3c(F)cc(cc3n12)-c1nc(Nc2ccc(CN3CCN(CC3)C3CC3)cn2)ncc1F Show InChI InChI=1S/C29H32F2N8/c1-29(2)8-7-25-35-27-21(30)13-19(14-23(27)39(25)29)26-22(31)16-33-28(36-26)34-24-6-3-18(15-32-24)17-37-9-11-38(12-10-37)20-4-5-20/h3,6,13-16,20H,4-5,7-12,17H2,1-2H3,(H,32,33,34,36)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.87E+3	n/a	n/a	n/a	n/a	n/a	n/a
Beijing University of Technology Curated by ChEMBL					Assay Description Inhibition of recombinant human full length CDK1/Cyclin D3 expressed in baculovirus infected Sf9 insect cells using histone H1 substrate after 90 min...				Bioorg Med Chem Lett 28: 974-978 (2018) Article DOI: 10.1016/j.bmcl.2017.12.068 BindingDB Entry DOI: 10.7270/Q2BC4236
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 1/G1/S-specific cyclin-D3 (Homo sapiens (Human))	BDBM50455063 (CHEMBL4213109 | US10696678, Example 51) Show SMILES CCC1Cc2nc3c(F)cc(cc3n2C1)-c1nc(Nc2ccc(CN3CCN(CC)CC3)cn2)ncc1F Show InChI InChI=1S/C28H32F2N8/c1-3-18-11-25-34-27-21(29)12-20(13-23(27)38(25)17-18)26-22(30)15-32-28(35-26)33-24-6-5-19(14-31-24)16-37-9-7-36(4-2)8-10-37/h5-6,12-15,18H,3-4,7-11,16-17H2,1-2H3,(H,31,32,33,35)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.88E+3	n/a	n/a	n/a	n/a	n/a	n/a
Beijing University of Technology Curated by ChEMBL					Assay Description Inhibition of recombinant human full length CDK1/Cyclin D3 expressed in baculovirus infected Sf9 insect cells using histone H1 substrate after 90 min...				Bioorg Med Chem Lett 28: 974-978 (2018) Article DOI: 10.1016/j.bmcl.2017.12.068 BindingDB Entry DOI: 10.7270/Q2BC4236
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 1/G1/S-specific cyclin-D3 (Homo sapiens (Human))	BDBM50455064 (CHEMBL4211479 | US10696678, Example 37) Show SMILES CCN1CCN(Cc2ccc(Nc3ncc(F)c(n3)-c3cc(F)c4nc5CCC(C)(C)n5c4c3)nc2C)CC1 Show InChI InChI=1S/C29H34F2N8/c1-5-37-10-12-38(13-11-37)17-19-6-7-24(33-18(19)2)34-28-32-16-22(31)26(36-28)20-14-21(30)27-23(15-20)39-25(35-27)8-9-29(39,3)4/h6-7,14-16H,5,8-13,17H2,1-4H3,(H,32,33,34,36)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.91E+3	n/a	n/a	n/a	n/a	n/a	n/a
Beijing University of Technology Curated by ChEMBL					Assay Description Inhibition of recombinant human full length CDK1/Cyclin D3 expressed in baculovirus infected Sf9 insect cells using histone H1 substrate after 90 min...				Bioorg Med Chem Lett 28: 974-978 (2018) Article DOI: 10.1016/j.bmcl.2017.12.068 BindingDB Entry DOI: 10.7270/Q2BC4236
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 1/G1/S-specific cyclin-D3 (Homo sapiens (Human))	BDBM50455053 (CHEMBL4215568 | US10696678, Example 49) Show SMILES CCN1CCN(Cc2ccc(Nc3ncc(F)c(n3)-c3cc(F)c4nc5CC(C)Cn5c4c3)nc2)CC1 Show InChI InChI=1S/C27H30F2N8/c1-3-35-6-8-36(9-7-35)16-18-4-5-23(30-13-18)32-27-31-14-21(29)25(34-27)19-11-20(28)26-22(12-19)37-15-17(2)10-24(37)33-26/h4-5,11-14,17H,3,6-10,15-16H2,1-2H3,(H,30,31,32,34)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.92E+3	n/a	n/a	n/a	n/a	n/a	n/a
Beijing University of Technology Curated by ChEMBL					Assay Description Inhibition of recombinant human full length CDK1/Cyclin D3 expressed in baculovirus infected Sf9 insect cells using histone H1 substrate after 90 min...				Bioorg Med Chem Lett 28: 974-978 (2018) Article DOI: 10.1016/j.bmcl.2017.12.068 BindingDB Entry DOI: 10.7270/Q2BC4236
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 1/G1/S-specific cyclin-D3 (Homo sapiens (Human))	BDBM50455062 (CHEMBL4207804 | US10696678, Example 56) Show SMILES CCN1CCN(Cc2ccc(Nc3ncc(F)c(n3)-c3cc(F)c4nc5CC(C)(C)Cn5c4c3)nc2)CC1 Show InChI InChI=1S/C28H32F2N8/c1-4-36-7-9-37(10-8-36)16-18-5-6-23(31-14-18)33-27-32-15-21(30)25(35-27)19-11-20(29)26-22(12-19)38-17-28(2,3)13-24(38)34-26/h5-6,11-12,14-15H,4,7-10,13,16-17H2,1-3H3,(H,31,32,33,35)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.08E+3	n/a	n/a	n/a	n/a	n/a	n/a
Beijing University of Technology Curated by ChEMBL					Assay Description Inhibition of recombinant human full length CDK1/Cyclin D3 expressed in baculovirus infected Sf9 insect cells using histone H1 substrate after 90 min...				Bioorg Med Chem Lett 28: 974-978 (2018) Article DOI: 10.1016/j.bmcl.2017.12.068 BindingDB Entry DOI: 10.7270/Q2BC4236
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 1/G1/S-specific cyclin-D3 (Homo sapiens (Human))	BDBM50455066 (CHEMBL4212542 | US10696678, Example 60) Show SMILES CCN1CCN(Cc2ccc(Nc3ncc(F)c(n3)-c3cc(F)c4nc5CCC(C)n5c4c3)nc2)CC1 Show InChI InChI=1S/C27H30F2N8/c1-3-35-8-10-36(11-9-35)16-18-5-6-23(30-14-18)32-27-31-15-21(29)25(34-27)19-12-20(28)26-22(13-19)37-17(2)4-7-24(37)33-26/h5-6,12-15,17H,3-4,7-11,16H2,1-2H3,(H,30,31,32,34)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.19E+3	n/a	n/a	n/a	n/a	n/a	n/a
Beijing University of Technology Curated by ChEMBL					Assay Description Inhibition of recombinant human full length CDK1/Cyclin D3 expressed in baculovirus infected Sf9 insect cells using histone H1 substrate after 90 min...				Bioorg Med Chem Lett 28: 974-978 (2018) Article DOI: 10.1016/j.bmcl.2017.12.068 BindingDB Entry DOI: 10.7270/Q2BC4236
					More data for this Ligand-Target Pair

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