Compile Data Set for Download or QSAR

Found 2798 hits with Last Name = 'liao' and Initial = 'x'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Protein disulfide-isomerase (Homo sapiens (Human))	BDBM50049391 (3,5,7-Trihydroxyflavone | 3,5,7-triOH-flavone | 3,...) Show SMILES Oc1cc(O)c2c(c1)oc(-c1ccccc1)c(O)c2=O Show InChI InChI=1S/C15H10O5/c16-9-6-10(17)12-11(7-9)20-15(14(19)13(12)18)8-4-2-1-3-5-8/h1-7,16-17,19H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	5.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jnatprod.2c00080 BindingDB Entry DOI: 10.7270/Q2TQ65MQ
					More data for this Ligand-Target Pair
Protein disulfide-isomerase (Homo sapiens (Human))	BDBM50042944 ((E)-1-(2,4-Dihydroxy-phenyl)-3-(4-hydroxy-phenyl)-...) Show SMILES Oc1ccc(\C=C\C(=O)c2ccc(O)cc2O)cc1 Show InChI InChI=1S/C15H12O4/c16-11-4-1-10(2-5-11)3-8-14(18)13-7-6-12(17)9-15(13)19/h1-9,16-17,19H/b8-3+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	3.61E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jnatprod.2c00080 BindingDB Entry DOI: 10.7270/Q2TQ65MQ
					More data for this Ligand-Target Pair
Protein disulfide-isomerase (Homo sapiens (Human))	BDBM50600404 (CHEMBL5201508) Show SMILES COc1cc(C=O)ccc1OC(C)=O Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	3.09E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jnatprod.2c00080 BindingDB Entry DOI: 10.7270/Q2TQ65MQ
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4 (Homo sapiens (Human))	BDBM494032 (US10988476, Compound I-129) Show SMILES CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(C[C@@H]4CNCCO4)CCc3n2)ncc1F |r| Show InChI InChI=1S/C28H32F2N8O/c1-16(2)38-17(3)33-27-21(29)10-19(11-24(27)38)26-22(30)13-32-28(36-26)35-25-5-4-18-14-37(8-6-23(18)34-25)15-20-12-31-7-9-39-20/h4-5,10-11,13,16,20,31H,6-9,12,14-15H2,1-3H3,(H,32,34,35,36)/t20-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. US Patent					Assay Description 1. Take 10 mM stock solution of the test compound, in 96-well compound plate, DMSO was used to dilute the compound to an initial concentration of 100...				US Patent US10988476 (2021) BindingDB Entry DOI: 10.7270/Q2PR8047
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4 (Homo sapiens (Human))	BDBM444593 (US10662186, Compound 129) Show SMILES Cc1nc2c(F)cc(cc2n1C(C)(C)C)-c1nc(Nc2ccc3CN(C[C@@H]4CNCCO4)CCc3n2)ncc1F |r| Show InChI InChI=1S/C29H34F2N8O/c1-17-34-27-21(30)11-19(12-24(27)39(17)29(2,3)4)26-22(31)14-33-28(37-26)36-25-6-5-18-15-38(9-7-23(18)35-25)16-20-13-32-8-10-40-20/h5-6,11-12,14,20,32H,7-10,13,15-16H2,1-4H3,(H,33,35,36,37)/t20-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. US Patent					Assay Description 1. Take 10 mM stock solution of the test compound, in 96-well compound plate, DMSO was used to dilute the compound to an initial concentration of 100...				US Patent US10662186 (2020) BindingDB Entry DOI: 10.7270/Q2GX4FKS
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D3 (Homo sapiens (Human))	BDBM444543 (US10662186, Compound 63 | US10988476, Compound I-6...) Show SMILES CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCN(C)C)CCc3n2)ncc1F Show InChI InChI=1S/C27H32F2N8/c1-16(2)37-17(3)31-26-20(28)12-19(13-23(26)37)25-21(29)14-30-27(34-25)33-24-7-6-18-15-36(11-10-35(4)5)9-8-22(18)32-24/h6-7,12-14,16H,8-11,15H2,1-5H3,(H,30,32,33,34)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.710	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Pharmaceuticals Holding Co., Ltd. Curated by ChEMBL					Assay Description Inhibition of recombinant human full length N-terminal GST-tagged CDK4 (1 to 303 residues)/cyclin D3 (1 to 292 residues) expressed in baculovirus exp...				Eur J Med Chem 178: 352-364 (2019) Article DOI: 10.1016/j.ejmech.2019.06.005 BindingDB Entry DOI: 10.7270/Q20K2CTJ
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 6 (Homo sapiens (Human))	BDBM444596 (US10662186, Compound 132 | US10988476, Compound I-...) Show SMILES CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCNC(N)=N)CCc3n2)ncc1F Show InChI InChI=1S/C26H30F2N10/c1-14(2)38-15(3)33-24-18(27)10-17(11-21(24)38)23-19(28)12-32-26(36-23)35-22-5-4-16-13-37(8-6-20(16)34-22)9-7-31-25(29)30/h4-5,10-12,14H,6-9,13H2,1-3H3,(H4,29,30,31)(H,32,34,35,36)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.770	n/a	n/a	n/a	n/a	n/a	n/a
SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. US Patent					Assay Description 1. Take 10 mM stock solution of the test compound, in 96-well compound plate, DMSO was used to dilute the compound to an initial concentration of 100...				US Patent US10662186 (2020) BindingDB Entry DOI: 10.7270/Q2GX4FKS
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 6 (Homo sapiens (Human))	BDBM444596 (US10662186, Compound 132 | US10988476, Compound I-...) Show SMILES CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCNC(N)=N)CCc3n2)ncc1F Show InChI InChI=1S/C26H30F2N10/c1-14(2)38-15(3)33-24-18(27)10-17(11-21(24)38)23-19(28)12-32-26(36-23)35-22-5-4-16-13-37(8-6-20(16)34-22)9-7-31-25(29)30/h4-5,10-12,14H,6-9,13H2,1-3H3,(H4,29,30,31)(H,32,34,35,36)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.770	n/a	n/a	n/a	n/a	n/a	n/a
SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. US Patent					Assay Description 1. Take 10 mM stock solution of the test compound, in 96-well compound plate, DMSO was used to dilute the compound to an initial concentration of 100...				US Patent US10988476 (2021) BindingDB Entry DOI: 10.7270/Q2PR8047
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D3 (Homo sapiens (Human))	BDBM50564275 (CHEMBL4778367) Show SMILES CC(C)c1cn2c(n1)c(C(C)=O)c(C)c1cnc(Nc3ccc(cc3)N3CCNCC3)nc21 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human full-length N-terminal GST-fused CDK4 (1 to 303 residues)/GST-tagged CyclinD3 (1 to 292 residues) expressed in baculo...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112239 BindingDB Entry DOI: 10.7270/Q27S7SHM
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4 (Homo sapiens (Human))	BDBM444563 (US10662186, Compound 82 | US10988476, Compound I-8...) Show SMILES CCC(CC)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CNCCc3n2)ncc1F Show InChI InChI=1S/C25H27F2N7/c1-4-17(5-2)34-14(3)30-24-18(26)10-16(11-21(24)34)23-19(27)13-29-25(33-23)32-22-7-6-15-12-28-9-8-20(15)31-22/h6-7,10-11,13,17,28H,4-5,8-9,12H2,1-3H3,(H,29,31,32,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.860	n/a	n/a	n/a	n/a	n/a	n/a
SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. US Patent					Assay Description 1. Take 10 mM stock solution of the test compound, in 96-well compound plate, DMSO was used to dilute the compound to an initial concentration of 100...				US Patent US10662186 (2020) BindingDB Entry DOI: 10.7270/Q2GX4FKS
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4 (Homo sapiens (Human))	BDBM444563 (US10662186, Compound 82 | US10988476, Compound I-8...) Show SMILES CCC(CC)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CNCCc3n2)ncc1F Show InChI InChI=1S/C25H27F2N7/c1-4-17(5-2)34-14(3)30-24-18(26)10-16(11-21(24)34)23-19(27)13-29-25(33-23)32-22-7-6-15-12-28-9-8-20(15)31-22/h6-7,10-11,13,17,28H,4-5,8-9,12H2,1-3H3,(H,29,31,32,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.860	n/a	n/a	n/a	n/a	n/a	n/a
SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. US Patent					Assay Description 1. Take 10 mM stock solution of the test compound, in 96-well compound plate, DMSO was used to dilute the compound to an initial concentration of 100...				US Patent US10988476 (2021) BindingDB Entry DOI: 10.7270/Q2PR8047
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4 (Homo sapiens (Human))	BDBM444569 (US10662186, Compound 88 | US10988476, Compound I-8...) Show SMILES CN(C)CCN1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(c4c3)C3(C)CC3)ccc2C1 Show InChI InChI=1S/C28H32F2N8/c1-17-32-26-20(29)13-19(14-23(26)38(17)28(2)8-9-28)25-21(30)15-31-27(35-25)34-24-6-5-18-16-37(12-11-36(3)4)10-7-22(18)33-24/h5-6,13-15H,7-12,16H2,1-4H3,(H,31,33,34,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.910	n/a	n/a	n/a	n/a	n/a	n/a
SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. US Patent					Assay Description 1. Take 10 mM stock solution of the test compound, in 96-well compound plate, DMSO was used to dilute the compound to an initial concentration of 100...				US Patent US10988476 (2021) BindingDB Entry DOI: 10.7270/Q2PR8047
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4 (Homo sapiens (Human))	BDBM444569 (US10662186, Compound 88 | US10988476, Compound I-8...) Show SMILES CN(C)CCN1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(c4c3)C3(C)CC3)ccc2C1 Show InChI InChI=1S/C28H32F2N8/c1-17-32-26-20(29)13-19(14-23(26)38(17)28(2)8-9-28)25-21(30)15-31-27(35-25)34-24-6-5-18-16-37(12-11-36(3)4)10-7-22(18)33-24/h5-6,13-15H,7-12,16H2,1-4H3,(H,31,33,34,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.910	n/a	n/a	n/a	n/a	n/a	n/a
SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. US Patent					Assay Description 1. Take 10 mM stock solution of the test compound, in 96-well compound plate, DMSO was used to dilute the compound to an initial concentration of 100...				US Patent US10662186 (2020) BindingDB Entry DOI: 10.7270/Q2GX4FKS
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4 (Homo sapiens (Human))	BDBM444595 (US10662186, Compound 131 | US10988476, Compound I-...) Show SMILES CN1CCC[C@H]1CN1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C5CC5)c4c3)ccc2C1 |r| Show InChI InChI=1S/C29H32F2N8/c1-17-33-28-22(30)12-19(13-25(28)39(17)20-6-7-20)27-23(31)14-32-29(36-27)35-26-8-5-18-15-38(11-9-24(18)34-26)16-21-4-3-10-37(21)2/h5,8,12-14,20-21H,3-4,6-7,9-11,15-16H2,1-2H3,(H,32,34,35,36)/t21-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.910	n/a	n/a	n/a	n/a	n/a	n/a
SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. US Patent					Assay Description 1. Take 10 mM stock solution of the test compound, in 96-well compound plate, DMSO was used to dilute the compound to an initial concentration of 100...				US Patent US10662186 (2020) BindingDB Entry DOI: 10.7270/Q2GX4FKS
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4 (Homo sapiens (Human))	BDBM444595 (US10662186, Compound 131 | US10988476, Compound I-...) Show SMILES CN1CCC[C@H]1CN1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C5CC5)c4c3)ccc2C1 |r| Show InChI InChI=1S/C29H32F2N8/c1-17-33-28-22(30)12-19(13-25(28)39(17)20-6-7-20)27-23(31)14-32-29(36-27)35-26-8-5-18-15-38(11-9-24(18)34-26)16-21-4-3-10-37(21)2/h5,8,12-14,20-21H,3-4,6-7,9-11,15-16H2,1-2H3,(H,32,34,35,36)/t21-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.910	n/a	n/a	n/a	n/a	n/a	n/a
SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. US Patent					Assay Description 1. Take 10 mM stock solution of the test compound, in 96-well compound plate, DMSO was used to dilute the compound to an initial concentration of 100...				US Patent US10988476 (2021) BindingDB Entry DOI: 10.7270/Q2PR8047
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM444516 (US10662186, Compound 38 | US10988476, Compound I-3...) Show SMILES CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCc3n2)C(=O)C=C)ncc1F Show InChI InChI=1S/C26H25F2N7O/c1-5-23(36)34-9-8-20-16(13-34)6-7-22(31-20)32-26-29-12-19(28)24(33-26)17-10-18(27)25-21(11-17)35(14(2)3)15(4)30-25/h5-7,10-12,14H,1,8-9,13H2,2-4H3,(H,29,31,32,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.920	n/a	n/a	n/a	n/a	n/a	n/a
SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. US Patent					Assay Description 1. Take 10 mM stock solution of the test compound, in 96-well compound plate, DMSO was used to dilute the compound to an initial concentration of 100...				US Patent US10988476 (2021) BindingDB Entry DOI: 10.7270/Q2PR8047
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4 (Homo sapiens (Human))	BDBM444568 (US10662186, Compound 87 | US10988476, Compound I-8...) Show SMILES Cc1nc2c(F)cc(cc2n1C1(C)CC1)-c1nc(Nc2ccc3CNCCc3n2)ncc1F Show InChI InChI=1S/C24H23F2N7/c1-13-29-22-16(25)9-15(10-19(22)33(13)24(2)6-7-24)21-17(26)12-28-23(32-21)31-20-4-3-14-11-27-8-5-18(14)30-20/h3-4,9-10,12,27H,5-8,11H2,1-2H3,(H,28,30,31,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.920	n/a	n/a	n/a	n/a	n/a	n/a
SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. US Patent					Assay Description 1. Take 10 mM stock solution of the test compound, in 96-well compound plate, DMSO was used to dilute the compound to an initial concentration of 100...				US Patent US10988476 (2021) BindingDB Entry DOI: 10.7270/Q2PR8047
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM444516 (US10662186, Compound 38 | US10988476, Compound I-3...) Show SMILES CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCc3n2)C(=O)C=C)ncc1F Show InChI InChI=1S/C26H25F2N7O/c1-5-23(36)34-9-8-20-16(13-34)6-7-22(31-20)32-26-29-12-19(28)24(33-26)17-10-18(27)25-21(11-17)35(14(2)3)15(4)30-25/h5-7,10-12,14H,1,8-9,13H2,2-4H3,(H,29,31,32,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.920	n/a	n/a	n/a	n/a	n/a	n/a
SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. US Patent					Assay Description 1. Take 10 mM stock solution of the test compound, in 96-well compound plate, DMSO was used to dilute the compound to an initial concentration of 100...				US Patent US10662186 (2020) BindingDB Entry DOI: 10.7270/Q2GX4FKS
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4 (Homo sapiens (Human))	BDBM444568 (US10662186, Compound 87 | US10988476, Compound I-8...) Show SMILES Cc1nc2c(F)cc(cc2n1C1(C)CC1)-c1nc(Nc2ccc3CNCCc3n2)ncc1F Show InChI InChI=1S/C24H23F2N7/c1-13-29-22-16(25)9-15(10-19(22)33(13)24(2)6-7-24)21-17(26)12-28-23(32-21)31-20-4-3-14-11-27-8-5-18(14)30-20/h3-4,9-10,12,27H,5-8,11H2,1-2H3,(H,28,30,31,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.920	n/a	n/a	n/a	n/a	n/a	n/a
SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. US Patent					Assay Description 1. Take 10 mM stock solution of the test compound, in 96-well compound plate, DMSO was used to dilute the compound to an initial concentration of 100...				US Patent US10662186 (2020) BindingDB Entry DOI: 10.7270/Q2GX4FKS
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4 (Homo sapiens (Human))	BDBM444566 (US10662186, Compound 85 | US10988476, Compound I-8...) Show SMILES C[C@@H](CN1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C5CC5)c4c3)ccc2C1)N(C)C |r| Show InChI InChI=1S/C28H32F2N8/c1-16(36(3)4)14-37-10-9-23-18(15-37)5-8-25(33-23)34-28-31-13-22(30)26(35-28)19-11-21(29)27-24(12-19)38(17(2)32-27)20-6-7-20/h5,8,11-13,16,20H,6-7,9-10,14-15H2,1-4H3,(H,31,33,34,35)/t16-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.940	n/a	n/a	n/a	n/a	n/a	n/a
SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. US Patent					Assay Description 1. Take 10 mM stock solution of the test compound, in 96-well compound plate, DMSO was used to dilute the compound to an initial concentration of 100...				US Patent US10988476 (2021) BindingDB Entry DOI: 10.7270/Q2PR8047
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4 (Homo sapiens (Human))	BDBM444566 (US10662186, Compound 85 | US10988476, Compound I-8...) Show SMILES C[C@@H](CN1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C5CC5)c4c3)ccc2C1)N(C)C |r| Show InChI InChI=1S/C28H32F2N8/c1-16(36(3)4)14-37-10-9-23-18(15-37)5-8-25(33-23)34-28-31-13-22(30)26(35-28)19-11-21(29)27-24(12-19)38(17(2)32-27)20-6-7-20/h5,8,11-13,16,20H,6-7,9-10,14-15H2,1-4H3,(H,31,33,34,35)/t16-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.940	n/a	n/a	n/a	n/a	n/a	n/a
SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. US Patent					Assay Description 1. Take 10 mM stock solution of the test compound, in 96-well compound plate, DMSO was used to dilute the compound to an initial concentration of 100...				US Patent US10662186 (2020) BindingDB Entry DOI: 10.7270/Q2GX4FKS
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4 (Homo sapiens (Human))	BDBM444567 (US10662186, Compound 86 | US10988476, Compound I-8...) Show SMILES CC(C1CC1)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCN(C)C)CCc3n2)ncc1F Show InChI InChI=1S/C29H34F2N8/c1-17(19-5-6-19)39-18(2)33-28-22(30)13-21(14-25(28)39)27-23(31)15-32-29(36-27)35-26-8-7-20-16-38(12-11-37(3)4)10-9-24(20)34-26/h7-8,13-15,17,19H,5-6,9-12,16H2,1-4H3,(H,32,34,35,36)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank 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
SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. US Patent					Assay Description 1. Take 10 mM stock solution of the test compound, in 96-well compound plate, DMSO was used to dilute the compound to an initial concentration of 100...				US Patent US10662186 (2020) BindingDB Entry DOI: 10.7270/Q2GX4FKS
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4 (Homo sapiens (Human))	BDBM444574 (US10662186, Compound 93 | US10988476, Compound I-9...) Show SMILES CN1CCO[C@@H](CN2CCc3nc(Nc4ncc(F)c(n4)-c4cc(F)c5nc(C)n(c5c4)C(C)(C)C)ccc3C2)C1 |r| Show InChI InChI=1S/C30H36F2N8O/c1-18-34-28-22(31)12-20(13-25(28)40(18)30(2,3)4)27-23(32)14-33-29(37-27)36-26-7-6-19-15-39(9-8-24(19)35-26)17-21-16-38(5)10-11-41-21/h6-7,12-14,21H,8-11,15-17H2,1-5H3,(H,33,35,36,37)/t21-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank 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
SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. US Patent					Assay Description 1. Take 10 mM stock solution of the test compound, in 96-well compound plate, DMSO was used to dilute the compound to an initial concentration of 100...				US Patent US10662186 (2020) BindingDB Entry DOI: 10.7270/Q2GX4FKS
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D3 (Homo sapiens (Human))	BDBM444567 (US10662186, Compound 86 | US10988476, Compound I-8...) Show SMILES CC(C1CC1)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCN(C)C)CCc3n2)ncc1F Show InChI InChI=1S/C29H34F2N8/c1-17(19-5-6-19)39-18(2)33-28-22(30)13-21(14-25(28)39)27-23(31)15-32-29(36-27)35-26-8-7-20-16-38(12-11-37(3)4)10-9-24(20)34-26/h7-8,13-15,17,19H,5-6,9-12,16H2,1-4H3,(H,32,34,35,36)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.960	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Pharmaceuticals Holding Co., Ltd. Curated by ChEMBL					Assay Description Inhibition of recombinant human full length N-terminal GST-tagged CDK4 (1 to 303 residues)/cyclin D3 (1 to 292 residues) expressed in baculovirus exp...				Eur J Med Chem 178: 352-364 (2019) Article DOI: 10.1016/j.ejmech.2019.06.005 BindingDB Entry DOI: 10.7270/Q20K2CTJ
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4 (Homo sapiens (Human))	BDBM444574 (US10662186, Compound 93 | US10988476, Compound I-9...) Show SMILES CN1CCO[C@@H](CN2CCc3nc(Nc4ncc(F)c(n4)-c4cc(F)c5nc(C)n(c5c4)C(C)(C)C)ccc3C2)C1 |r| Show InChI InChI=1S/C30H36F2N8O/c1-18-34-28-22(31)12-20(13-25(28)40(18)30(2,3)4)27-23(32)14-33-29(37-27)36-26-7-6-19-15-39(9-8-24(19)35-26)17-21-16-38(5)10-11-41-21/h6-7,12-14,21H,8-11,15-17H2,1-5H3,(H,33,35,36,37)/t21-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank 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
SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. US Patent					Assay Description 1. Take 10 mM stock solution of the test compound, in 96-well compound plate, DMSO was used to dilute the compound to an initial concentration of 100...				US Patent US10988476 (2021) BindingDB Entry DOI: 10.7270/Q2PR8047
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4 (Homo sapiens (Human))	BDBM444567 (US10662186, Compound 86 | US10988476, Compound I-8...) Show SMILES CC(C1CC1)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCN(C)C)CCc3n2)ncc1F Show InChI InChI=1S/C29H34F2N8/c1-17(19-5-6-19)39-18(2)33-28-22(30)13-21(14-25(28)39)27-23(31)15-32-29(36-27)35-26-8-7-20-16-38(12-11-37(3)4)10-9-24(20)34-26/h7-8,13-15,17,19H,5-6,9-12,16H2,1-4H3,(H,32,34,35,36)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank 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
SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. US Patent					Assay Description 1. Take 10 mM stock solution of the test compound, in 96-well compound plate, DMSO was used to dilute the compound to an initial concentration of 100...				US Patent US10988476 (2021) BindingDB Entry DOI: 10.7270/Q2PR8047
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 6 (Homo sapiens (Human))	BDBM444581 (US10662186, Compound 103 | US10662186, Compound 10...) Show SMILES C[C@@H]1N(CCN(C)C)CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(c4c3)C(C)(C)C)ccc12 |r| Show InChI InChI=1S/C29H36F2N8/c1-17-20-8-9-25(34-23(20)10-11-38(17)13-12-37(6)7)35-28-32-16-22(31)26(36-28)19-14-21(30)27-24(15-19)39(18(2)33-27)29(3,4)5/h8-9,14-17H,10-13H2,1-7H3,(H,32,34,35,36)/t17-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.970	n/a	n/a	n/a	n/a	n/a	n/a
SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. US Patent					Assay Description 1. Take 10 mM stock solution of the test compound, in 96-well compound plate, DMSO was used to dilute the compound to an initial concentration of 100...				US Patent US10988476 (2021) BindingDB Entry DOI: 10.7270/Q2PR8047
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 6 (Homo sapiens (Human))	BDBM444581 (US10662186, Compound 103 | US10662186, Compound 10...) Show SMILES C[C@@H]1N(CCN(C)C)CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(c4c3)C(C)(C)C)ccc12 |r| Show InChI InChI=1S/C29H36F2N8/c1-17-20-8-9-25(34-23(20)10-11-38(17)13-12-37(6)7)35-28-32-16-22(31)26(36-28)19-14-21(30)27-24(15-19)39(18(2)33-27)29(3,4)5/h8-9,14-17H,10-13H2,1-7H3,(H,32,34,35,36)/t17-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.970	n/a	n/a	n/a	n/a	n/a	n/a
SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. US Patent					Assay Description 1. Take 10 mM stock solution of the test compound, in 96-well compound plate, DMSO was used to dilute the compound to an initial concentration of 100...				US Patent US10662186 (2020) BindingDB Entry DOI: 10.7270/Q2GX4FKS
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4 (Homo sapiens (Human))	BDBM444573 (US10662186, Compound 92 | US10988476, Compound I-9...) Show SMILES CN(C)CCC(=O)N1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(c4c3)C(C)(C)C)ccc2C1 Show InChI InChI=1S/C29H34F2N8O/c1-17-33-27-20(30)13-19(14-23(27)39(17)29(2,3)4)26-21(31)15-32-28(36-26)35-24-8-7-18-16-38(12-9-22(18)34-24)25(40)10-11-37(5)6/h7-8,13-15H,9-12,16H2,1-6H3,(H,32,34,35,36)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.990	n/a	n/a	n/a	n/a	n/a	n/a
SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. US Patent					Assay Description 1. Take 10 mM stock solution of the test compound, in 96-well compound plate, DMSO was used to dilute the compound to an initial concentration of 100...				US Patent US10662186 (2020) BindingDB Entry DOI: 10.7270/Q2GX4FKS
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D3 (Homo sapiens (Human))	BDBM444572 (US10662186, Compound 91 | US10988476, Compound I-9...) Show SMILES CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCN(C)C(N)=N)CCc3n2)ncc1F Show InChI InChI=1S/C27H32F2N10/c1-15(2)39-16(3)33-25-19(28)11-18(12-22(25)39)24-20(29)13-32-27(36-24)35-23-6-5-17-14-38(8-7-21(17)34-23)10-9-37(4)26(30)31/h5-6,11-13,15H,7-10,14H2,1-4H3,(H3,30,31)(H,32,34,35,36)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.990	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Pharmaceuticals Holding Co., Ltd. Curated by ChEMBL					Assay Description Inhibition of recombinant human full length N-terminal GST-tagged CDK4 (1 to 303 residues)/cyclin D3 (1 to 292 residues) expressed in baculovirus exp...				Eur J Med Chem 178: 352-364 (2019) Article DOI: 10.1016/j.ejmech.2019.06.005 BindingDB Entry DOI: 10.7270/Q20K2CTJ
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4 (Homo sapiens (Human))	BDBM444573 (US10662186, Compound 92 | US10988476, Compound I-9...) Show SMILES CN(C)CCC(=O)N1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(c4c3)C(C)(C)C)ccc2C1 Show InChI InChI=1S/C29H34F2N8O/c1-17-33-27-20(30)13-19(14-23(27)39(17)29(2,3)4)26-21(31)15-32-28(36-26)35-24-8-7-18-16-38(12-9-22(18)34-24)25(40)10-11-37(5)6/h7-8,13-15H,9-12,16H2,1-6H3,(H,32,34,35,36)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.990	n/a	n/a	n/a	n/a	n/a	n/a
SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. US Patent					Assay Description 1. Take 10 mM stock solution of the test compound, in 96-well compound plate, DMSO was used to dilute the compound to an initial concentration of 100...				US Patent US10988476 (2021) BindingDB Entry DOI: 10.7270/Q2PR8047
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4 (Homo sapiens (Human))	BDBM444572 (US10662186, Compound 91 | US10988476, Compound I-9...) Show SMILES CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCN(C)C(N)=N)CCc3n2)ncc1F Show InChI InChI=1S/C27H32F2N10/c1-15(2)39-16(3)33-25-19(28)11-18(12-22(25)39)24-20(29)13-32-27(36-24)35-23-6-5-17-14-38(8-7-21(17)34-23)10-9-37(4)26(30)31/h5-6,11-13,15H,7-10,14H2,1-4H3,(H3,30,31)(H,32,34,35,36)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.990	n/a	n/a	n/a	n/a	n/a	n/a
SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. US Patent					Assay Description 1. Take 10 mM stock solution of the test compound, in 96-well compound plate, DMSO was used to dilute the compound to an initial concentration of 100...				US Patent US10988476 (2021) BindingDB Entry DOI: 10.7270/Q2PR8047
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4 (Homo sapiens (Human))	BDBM444596 (US10662186, Compound 132 | US10988476, Compound I-...) Show SMILES CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCNC(N)=N)CCc3n2)ncc1F Show InChI InChI=1S/C26H30F2N10/c1-14(2)38-15(3)33-24-18(27)10-17(11-21(24)38)23-19(28)12-32-26(36-23)35-22-5-4-16-13-37(8-6-20(16)34-22)9-7-31-25(29)30/h4-5,10-12,14H,6-9,13H2,1-3H3,(H4,29,30,31)(H,32,34,35,36)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.990	n/a	n/a	n/a	n/a	n/a	n/a
SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. US Patent					Assay Description 1. Take 10 mM stock solution of the test compound, in 96-well compound plate, DMSO was used to dilute the compound to an initial concentration of 100...				US Patent US10988476 (2021) BindingDB Entry DOI: 10.7270/Q2PR8047
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4 (Homo sapiens (Human))	BDBM444596 (US10662186, Compound 132 | US10988476, Compound I-...) Show SMILES CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCNC(N)=N)CCc3n2)ncc1F Show InChI InChI=1S/C26H30F2N10/c1-14(2)38-15(3)33-24-18(27)10-17(11-21(24)38)23-19(28)12-32-26(36-23)35-22-5-4-16-13-37(8-6-20(16)34-22)9-7-31-25(29)30/h4-5,10-12,14H,6-9,13H2,1-3H3,(H4,29,30,31)(H,32,34,35,36)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.990	n/a	n/a	n/a	n/a	n/a	n/a
SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. US Patent					Assay Description 1. Take 10 mM stock solution of the test compound, in 96-well compound plate, DMSO was used to dilute the compound to an initial concentration of 100...				US Patent US10662186 (2020) BindingDB Entry DOI: 10.7270/Q2GX4FKS
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4 (Homo sapiens (Human))	BDBM444572 (US10662186, Compound 91 | US10988476, Compound I-9...) Show SMILES CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCN(C)C(N)=N)CCc3n2)ncc1F Show InChI InChI=1S/C27H32F2N10/c1-15(2)39-16(3)33-25-19(28)11-18(12-22(25)39)24-20(29)13-32-27(36-24)35-23-6-5-17-14-38(8-7-21(17)34-23)10-9-37(4)26(30)31/h5-6,11-13,15H,7-10,14H2,1-4H3,(H3,30,31)(H,32,34,35,36)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.990	n/a	n/a	n/a	n/a	n/a	n/a
SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. US Patent					Assay Description 1. Take 10 mM stock solution of the test compound, in 96-well compound plate, DMSO was used to dilute the compound to an initial concentration of 100...				US Patent US10662186 (2020) BindingDB Entry DOI: 10.7270/Q2GX4FKS
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D3 (Homo sapiens (Human))	BDBM444578 (US10662186, Compound 98) Show SMILES CN(C)CCN1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C5CCCC5)c4c3)ccc2C1 Show InChI InChI=1S/C29H34F2N8/c1-18-33-28-22(30)14-20(15-25(28)39(18)21-6-4-5-7-21)27-23(31)16-32-29(36-27)35-26-9-8-19-17-38(13-12-37(2)3)11-10-24(19)34-26/h8-9,14-16,21H,4-7,10-13,17H2,1-3H3,(H,32,34,35,36)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Pharmaceuticals Holding Co., Ltd. Curated by ChEMBL					Assay Description Inhibition of recombinant human full length N-terminal GST-tagged CDK4 (1 to 303 residues)/cyclin D3 (1 to 292 residues) expressed in baculovirus exp...				Eur J Med Chem 178: 352-364 (2019) Article DOI: 10.1016/j.ejmech.2019.06.005 BindingDB Entry DOI: 10.7270/Q20K2CTJ
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D3 (Homo sapiens (Human))	BDBM444580 (US10662186, Compound 102 | US10988476, Compound I-...) Show SMILES CN(C)CCN1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C5CCCCC5)c4c3)ccc2C1 Show InChI InChI=1S/C30H36F2N8/c1-19-34-29-23(31)15-21(16-26(29)40(19)22-7-5-4-6-8-22)28-24(32)17-33-30(37-28)36-27-10-9-20-18-39(14-13-38(2)3)12-11-25(20)35-27/h9-10,15-17,22H,4-8,11-14,18H2,1-3H3,(H,33,35,36,37)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Pharmaceuticals Holding Co., Ltd. Curated by ChEMBL					Assay Description Inhibition of recombinant human full length N-terminal GST-tagged CDK4 (1 to 303 residues)/cyclin D3 (1 to 292 residues) expressed in baculovirus exp...				Eur J Med Chem 178: 352-364 (2019) Article DOI: 10.1016/j.ejmech.2019.06.005 BindingDB Entry DOI: 10.7270/Q20K2CTJ
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4 (Homo sapiens (Human))	BDBM444580 (US10662186, Compound 102 | US10988476, Compound I-...) Show SMILES CN(C)CCN1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C5CCCCC5)c4c3)ccc2C1 Show InChI InChI=1S/C30H36F2N8/c1-19-34-29-23(31)15-21(16-26(29)40(19)22-7-5-4-6-8-22)28-24(32)17-33-30(37-28)36-27-10-9-20-18-39(14-13-38(2)3)12-11-25(20)35-27/h9-10,15-17,22H,4-8,11-14,18H2,1-3H3,(H,33,35,36,37)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.02	n/a	n/a	n/a	n/a	n/a	n/a
SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. US Patent					Assay Description 1. Take 10 mM stock solution of the test compound, in 96-well compound plate, DMSO was used to dilute the compound to an initial concentration of 100...				US Patent US10988476 (2021) BindingDB Entry DOI: 10.7270/Q2PR8047
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4 (Homo sapiens (Human))	BDBM444581 (US10662186, Compound 103 | US10662186, Compound 10...) Show SMILES C[C@@H]1N(CCN(C)C)CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(c4c3)C(C)(C)C)ccc12 |r| Show InChI InChI=1S/C29H36F2N8/c1-17-20-8-9-25(34-23(20)10-11-38(17)13-12-37(6)7)35-28-32-16-22(31)26(36-28)19-14-21(30)27-24(15-19)39(18(2)33-27)29(3,4)5/h8-9,14-17H,10-13H2,1-7H3,(H,32,34,35,36)/t17-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.02	n/a	n/a	n/a	n/a	n/a	n/a
SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. US Patent					Assay Description 1. Take 10 mM stock solution of the test compound, in 96-well compound plate, DMSO was used to dilute the compound to an initial concentration of 100...				US Patent US10988476 (2021) BindingDB Entry DOI: 10.7270/Q2PR8047
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4 (Homo sapiens (Human))	BDBM494033 (US10988476, Compound I-130) Show SMILES CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(C[C@H]4CNCCO4)CCc3n2)ncc1F |r| Show InChI InChI=1S/C28H32F2N8O/c1-16(2)38-17(3)33-27-21(29)10-19(11-24(27)38)26-22(30)13-32-28(36-26)35-25-5-4-18-14-37(8-6-23(18)34-25)15-20-12-31-7-9-39-20/h4-5,10-11,13,16,20,31H,6-9,12,14-15H2,1-3H3,(H,32,34,35,36)/t20-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.02	n/a	n/a	n/a	n/a	n/a	n/a
SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. US Patent					Assay Description 1. Take 10 mM stock solution of the test compound, in 96-well compound plate, DMSO was used to dilute the compound to an initial concentration of 100...				US Patent US10988476 (2021) BindingDB Entry DOI: 10.7270/Q2PR8047
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4 (Homo sapiens (Human))	BDBM444580 (US10662186, Compound 102 | US10988476, Compound I-...) Show SMILES CN(C)CCN1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C5CCCCC5)c4c3)ccc2C1 Show InChI InChI=1S/C30H36F2N8/c1-19-34-29-23(31)15-21(16-26(29)40(19)22-7-5-4-6-8-22)28-24(32)17-33-30(37-28)36-27-10-9-20-18-39(14-13-38(2)3)12-11-25(20)35-27/h9-10,15-17,22H,4-8,11-14,18H2,1-3H3,(H,33,35,36,37)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.02	n/a	n/a	n/a	n/a	n/a	n/a
SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. US Patent					Assay Description 1. Take 10 mM stock solution of the test compound, in 96-well compound plate, DMSO was used to dilute the compound to an initial concentration of 100...				US Patent US10662186 (2020) BindingDB Entry DOI: 10.7270/Q2GX4FKS
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4 (Homo sapiens (Human))	BDBM444581 (US10662186, Compound 103 | US10662186, Compound 10...) Show SMILES C[C@@H]1N(CCN(C)C)CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(c4c3)C(C)(C)C)ccc12 |r| Show InChI InChI=1S/C29H36F2N8/c1-17-20-8-9-25(34-23(20)10-11-38(17)13-12-37(6)7)35-28-32-16-22(31)26(36-28)19-14-21(30)27-24(15-19)39(18(2)33-27)29(3,4)5/h8-9,14-17H,10-13H2,1-7H3,(H,32,34,35,36)/t17-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.02	n/a	n/a	n/a	n/a	n/a	n/a
SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. US Patent					Assay Description 1. Take 10 mM stock solution of the test compound, in 96-well compound plate, DMSO was used to dilute the compound to an initial concentration of 100...				US Patent US10662186 (2020) BindingDB Entry DOI: 10.7270/Q2GX4FKS
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4 (Homo sapiens (Human))	BDBM444594 (US10662186, Compound 130) Show SMILES Cc1nc2c(F)cc(cc2n1C(C)(C)C)-c1nc(Nc2ccc3CN(C[C@H]4CNCCO4)CCc3n2)ncc1F |r| Show InChI InChI=1S/C29H34F2N8O/c1-17-34-27-21(30)11-19(12-24(27)39(17)29(2,3)4)26-22(31)14-33-28(37-26)36-25-6-5-18-15-38(9-7-23(18)35-25)16-20-13-32-8-10-40-20/h5-6,11-12,14,20,32H,7-10,13,15-16H2,1-4H3,(H,33,35,36,37)/t20-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.02	n/a	n/a	n/a	n/a	n/a	n/a
SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. US Patent					Assay Description 1. Take 10 mM stock solution of the test compound, in 96-well compound plate, DMSO was used to dilute the compound to an initial concentration of 100...				US Patent US10662186 (2020) BindingDB Entry DOI: 10.7270/Q2GX4FKS
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4 (Homo sapiens (Human))	BDBM444577 (US10662186, Compound 97 | US10988476, Compound I-9...) Show SMILES [#6]-[#6](-[#6])-n1c(-[#6])nc2c(F)cc(cc12)-c1nc(-[#7]-c2ccc3-[#6]-[#7](-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6]-[#6]-c3n2)ncc1F Show InChI InChI=1S/C26H30F2N10/c1-14(2)38-15(3)33-24-18(27)10-17(11-21(24)38)23-19(28)12-32-26(36-23)35-22-5-4-16-13-37(8-6-20(16)34-22)9-7-31-25(29)30/h4-5,10-12,14H,6-9,13H2,1-3H3,(H4,29,30,31)(H,32,34,35,36)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.04	n/a	n/a	n/a	n/a	n/a	n/a
SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. US Patent					Assay Description 1. Take 10 mM stock solution of the test compound, in 96-well compound plate, DMSO was used to dilute the compound to an initial concentration of 100...				US Patent US10988476 (2021) BindingDB Entry DOI: 10.7270/Q2PR8047
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4 (Homo sapiens (Human))	BDBM444578 (US10662186, Compound 98) Show SMILES CN(C)CCN1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C5CCCC5)c4c3)ccc2C1 Show InChI InChI=1S/C29H34F2N8/c1-18-33-28-22(30)14-20(15-25(28)39(18)21-6-4-5-7-21)27-23(31)16-32-29(36-27)35-26-9-8-19-17-38(13-12-37(2)3)11-10-24(19)34-26/h8-9,14-16,21H,4-7,10-13,17H2,1-3H3,(H,32,34,35,36)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.04	n/a	n/a	n/a	n/a	n/a	n/a
SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. US Patent					Assay Description 1. Take 10 mM stock solution of the test compound, in 96-well compound plate, DMSO was used to dilute the compound to an initial concentration of 100...				US Patent US10662186 (2020) BindingDB Entry DOI: 10.7270/Q2GX4FKS
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4 (Homo sapiens (Human))	BDBM444546 (US10662186, Compound 66 | US10988476, Compound I-6...) Show SMILES CN[C@H](C)C(=O)N1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C5CC5)c4c3)ccc2C1 |r| Show InChI InChI=1S/C27H28F2N8O/c1-14(30-3)26(38)36-9-8-21-16(13-36)4-7-23(33-21)34-27-31-12-20(29)24(35-27)17-10-19(28)25-22(11-17)37(15(2)32-25)18-5-6-18/h4,7,10-12,14,18,30H,5-6,8-9,13H2,1-3H3,(H,31,33,34,35)/t14-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.06	n/a	n/a	n/a	n/a	n/a	n/a
SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. US Patent					Assay Description 1. Take 10 mM stock solution of the test compound, in 96-well compound plate, DMSO was used to dilute the compound to an initial concentration of 100...				US Patent US10988476 (2021) BindingDB Entry DOI: 10.7270/Q2PR8047
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4 (Homo sapiens (Human))	BDBM444546 (US10662186, Compound 66 | US10988476, Compound I-6...) Show SMILES CN[C@H](C)C(=O)N1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C5CC5)c4c3)ccc2C1 |r| Show InChI InChI=1S/C27H28F2N8O/c1-14(30-3)26(38)36-9-8-21-16(13-36)4-7-23(33-21)34-27-31-12-20(29)24(35-27)17-10-19(28)25-22(11-17)37(15(2)32-25)18-5-6-18/h4,7,10-12,14,18,30H,5-6,8-9,13H2,1-3H3,(H,31,33,34,35)/t14-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.06	n/a	n/a	n/a	n/a	n/a	n/a
SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. US Patent					Assay Description 1. Take 10 mM stock solution of the test compound, in 96-well compound plate, DMSO was used to dilute the compound to an initial concentration of 100...				US Patent US10662186 (2020) BindingDB Entry DOI: 10.7270/Q2GX4FKS
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4 (Homo sapiens (Human))	BDBM444564 (US10662186, Compound 83 | US10988476, Compound I-8...) Show SMILES CCC(CC)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCN(C)C)CCc3n2)ncc1F Show InChI InChI=1S/C29H36F2N8/c1-6-21(7-2)39-18(3)33-28-22(30)14-20(15-25(28)39)27-23(31)16-32-29(36-27)35-26-9-8-19-17-38(13-12-37(4)5)11-10-24(19)34-26/h8-9,14-16,21H,6-7,10-13,17H2,1-5H3,(H,32,34,35,36)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.08	n/a	n/a	n/a	n/a	n/a	n/a
SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. US Patent					Assay Description 1. Take 10 mM stock solution of the test compound, in 96-well compound plate, DMSO was used to dilute the compound to an initial concentration of 100...				US Patent US10988476 (2021) BindingDB Entry DOI: 10.7270/Q2PR8047
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4 (Homo sapiens (Human))	BDBM444564 (US10662186, Compound 83 | US10988476, Compound I-8...) Show SMILES CCC(CC)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCN(C)C)CCc3n2)ncc1F Show InChI InChI=1S/C29H36F2N8/c1-6-21(7-2)39-18(3)33-28-22(30)14-20(15-25(28)39)27-23(31)16-32-29(36-27)35-26-9-8-19-17-38(13-12-37(4)5)11-10-24(19)34-26/h8-9,14-16,21H,6-7,10-13,17H2,1-5H3,(H,32,34,35,36)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.08	n/a	n/a	n/a	n/a	n/a	n/a
SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. US Patent					Assay Description 1. Take 10 mM stock solution of the test compound, in 96-well compound plate, DMSO was used to dilute the compound to an initial concentration of 100...				US Patent US10662186 (2020) BindingDB Entry DOI: 10.7270/Q2GX4FKS
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4 (Homo sapiens (Human))	BDBM444586 (US10662186, Compound 109 | US10662186, Compound 11...) Show SMILES C[C@@H]1Cc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(c4c3)C(C)(C)C)ccc2CN1 |r| Show InChI InChI=1S/C25H27F2N7/c1-13-8-19-15(11-28-13)6-7-21(31-19)32-24-29-12-18(27)22(33-24)16-9-17(26)23-20(10-16)34(14(2)30-23)25(3,4)5/h6-7,9-10,12-13,28H,8,11H2,1-5H3,(H,29,31,32,33)/t13-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank 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
SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. US Patent					Assay Description 1. Take 10 mM stock solution of the test compound, in 96-well compound plate, DMSO was used to dilute the compound to an initial concentration of 100...				US Patent US10988476 (2021) BindingDB Entry DOI: 10.7270/Q2PR8047
					More data for this Ligand-Target Pair

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