Compile Data Set for Download or QSAR

Found 1946 hits Enz. Inhib. hit(s) with Target = 'Cyclin-dependent kinase 4 (CDK4)'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Cyclin-Dependent Kinase 4 (CDK4) (Homo sapiens (Human))	BDBM462108 (US10766884, Example A25) Show SMILES CC(C)[N]1=C2C=C(C=C(F)C2N=C1C)c1nc(N[C@@H]2CCN(C[C@H]2O)S(C)(=O)=O)ncc1Cl Show InChI InChI=1S/C21H27ClFN6O3S/c1-11(2)29-12(3)25-20-15(23)7-13(8-17(20)29)19-14(22)9-24-21(27-19)26-16-5-6-28(10-18(16)30)33(4,31)32/h7-9,11,16,18,20,30H,5-6,10H2,1-4H3,(H,24,26,27)/t16-,18-,20?/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia antibodypedia GoogleScholar	PC cid PC sid UniChem	US Patent	0	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. US Patent					Assay Description CDK4/Cyclin D1: The purpose CDK4/Cyclin D1 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) in the presence of small molecule ...				US Patent US10766884 (2020)
					More data for this Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4) (Homo sapiens (Human))	BDBM462197 (US10766884, Example F15) Show SMILES CC(C)(C)n1cnc2c(F)cc(cc12)-c1nc(N[C@@H]2CCN(C[C@H]2O)S(C)(=O)=O)ncc1F Show InChI InChI=1S/C21H26F2N6O3S/c1-21(2,3)29-11-25-19-13(22)7-12(8-16(19)29)18-14(23)9-24-20(27-18)26-15-5-6-28(10-17(15)30)33(4,31)32/h7-9,11,15,17,30H,5-6,10H2,1-4H3,(H,24,26,27)/t15-,17-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia antibodypedia GoogleScholar	PC cid PC sid UniChem	US Patent	0	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. US Patent					Assay Description CDK4/Cyclin D1: The purpose CDK4/Cyclin D1 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) in the presence of small molecule ...				US Patent US10766884 (2020)
					More data for this Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4) (Homo sapiens (Human))	BDBM462177 (US10766884, Example B01) Show SMILES CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(N[C@@H]2CCN(C[C@H]2O)S(C)(=O)=O)ncc1C#N Show InChI InChI=1S/C22H26FN7O3S/c1-12(2)30-13(3)26-21-16(23)7-14(8-18(21)30)20-15(9-24)10-25-22(28-20)27-17-5-6-29(11-19(17)31)34(4,32)33/h7-8,10,12,17,19,31H,5-6,11H2,1-4H3,(H,25,27,28)/t17-,19-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia antibodypedia GoogleScholar	PC cid PC sid UniChem	US Patent	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. US Patent					Assay Description CDK4/Cyclin D1: The purpose CDK4/Cyclin D1 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) in the presence of small molecule ...				US Patent US10766884 (2020)
					More data for this Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4) (Homo sapiens (Human))	BDBM462229 (US10766884, Example E01) Show SMILES CC(C)n1c(C)nc2c(F)cc(cc12)-c1cc(N[C@@H]2CCN(C[C@H]2O)S(C)(=O)=O)ncc1Cl Show InChI InChI=1S/C22H27ClFN5O3S/c1-12(2)29-13(3)26-22-17(24)7-14(8-19(22)29)15-9-21(25-10-16(15)23)27-18-5-6-28(11-20(18)30)33(4,31)32/h7-10,12,18,20,30H,5-6,11H2,1-4H3,(H,25,27)/t18-,20-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia antibodypedia GoogleScholar	PC cid PC sid UniChem	US Patent	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. US Patent					Assay Description CDK4/Cyclin D1: The purpose CDK4/Cyclin D1 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) in the presence of small molecule ...				US Patent US10766884 (2020)
					More data for this Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4) (Homo sapiens (Human))	BDBM462174 ((Scheme A-14): Preparation of (3R,4R)-4-[(5-chloro...) Show SMILES CC(C(F)F)n1c(CO)nc2c(F)cc(cc12)-c1nc(N[C@@H]2CCN(C[C@H]2O)S(C)(=O)=O)ncc1Cl Show InChI InChI=1S/C21H24ClF3N6O4S/c1-10(20(24)25)31-15-6-11(5-13(23)19(15)28-17(31)9-32)18-12(22)7-26-21(29-18)27-14-3-4-30(8-16(14)33)36(2,34)35/h5-7,10,14,16,20,32-33H,3-4,8-9H2,1-2H3,(H,26,27,29)/t10?,14-,16-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia antibodypedia GoogleScholar	PC cid PC sid UniChem	US Patent	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. US Patent					Assay Description CDK4/Cyclin D1: The purpose CDK4/Cyclin D1 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) in the presence of small molecule ...				US Patent US10766884 (2020)
					More data for this Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4) (Homo sapiens (Human))	BDBM462173 ((Scheme A-13): (3R,4R)-4-({5-chloro-4-[1-(1,1-difl...) Show SMILES CC(C)n1c(nc2c(F)cc(cc12)-c1nc(N[C@@H]2CCN(C[C@H]2O)S(C)(=O)=O)ncc1Cl)C(C)(C)O Show InChI InChI=1S/C23H30ClFN6O4S/c1-12(2)31-17-9-13(8-15(25)20(17)28-21(31)23(3,4)33)19-14(24)10-26-22(29-19)27-16-6-7-30(11-18(16)32)36(5,34)35/h8-10,12,16,18,32-33H,6-7,11H2,1-5H3,(H,26,27,29)/t16-,18-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia antibodypedia GoogleScholar	PC cid PC sid UniChem	US Patent	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. US Patent					Assay Description CDK4/Cyclin D1: The purpose CDK4/Cyclin D1 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) in the presence of small molecule ...				US Patent US10766884 (2020)
					More data for this Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4) (Homo sapiens (Human))	BDBM462162 (US10766884, Example A78) Show SMILES Cc1nc2ccc(cc2n1C(C)(C)C)-c1nc(N[C@@H]2CCN(C[C@H]2O)S(C)(=O)=O)ncc1F Show InChI InChI=1S/C22H29FN6O3S/c1-13-25-16-7-6-14(10-18(16)29(13)22(2,3)4)20-15(23)11-24-21(27-20)26-17-8-9-28(12-19(17)30)33(5,31)32/h6-7,10-11,17,19,30H,8-9,12H2,1-5H3,(H,24,26,27)/t17-,19-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia antibodypedia GoogleScholar	PC cid PC sid UniChem	US Patent	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. US Patent					Assay Description CDK4/Cyclin D1: The purpose CDK4/Cyclin D1 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) in the presence of small molecule ...				US Patent US10766884 (2020)
					More data for this Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4) (Homo sapiens (Human))	BDBM462100 (US10766884, Example A17) Show SMILES CCC1COCc2nc3c(F)cc(cc3n12)-c1nc(N[C@@H]2CCN(C[C@H]2O)S(C)(=O)=O)ncc1F Show InChI InChI=1S/C22H26F2N5O5S/c1-3-13-9-33-10-19-27-21-14(23)6-12(7-17(21)29(13)19)20-15(24)8-25-22(28-20)26-16-4-5-34(11-18(16)30)35(2,31)32/h6-8,13,16,18,30H,3-5,9-11H2,1-2H3,(H,25,26,28)/t13?,16-,18-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia antibodypedia GoogleScholar	PC cid PC sid UniChem	US Patent	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. US Patent					Assay Description CDK4/Cyclin D1: The purpose CDK4/Cyclin D1 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) in the presence of small molecule ...				US Patent US10766884 (2020)
					More data for this Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4) (Homo sapiens (Human))	BDBM462092 (US10766884, Example A09) Show SMILES CC1(C)ccc2nc(F)c(cn12)-c1nc(N[C@H]2CCN(C[C@@H]2O)S(C)(=O)=O)ncc1Cl Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia antibodypedia GoogleScholar	PC cid PC sid UniChem	US Patent	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. US Patent					Assay Description CDK4/Cyclin D1: The purpose CDK4/Cyclin D1 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) in the presence of small molecule ...				US Patent US10766884 (2020)
					More data for this Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4) (Homo sapiens (Human))	BDBM462081 (US10766884, Example A02) Show SMILES CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(N[C@@H]2CCN(C[C@H]2O)S(C)(=O)=O)ncc1F Show InChI InChI=1S/C21H26F2N6O3S/c1-11(2)29-12(3)25-20-14(22)7-13(8-17(20)29)19-15(23)9-24-21(27-19)26-16-5-6-28(10-18(16)30)33(4,31)32/h7-9,11,16,18,30H,5-6,10H2,1-4H3,(H,24,26,27)/t16-,18-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia antibodypedia GoogleScholar	PC cid PC sid UniChem	US Patent	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. US Patent					Assay Description CDK4/Cyclin D1: The purpose CDK4/Cyclin D1 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) in the presence of small molecule ...				US Patent US10766884 (2020)
					More data for this Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4) (Homo sapiens (Human))	BDBM462080 (US10766884, Example A01) Show SMILES CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(N[C@@H]2CCN(C[C@H]2O)S(C)(=O)=O)ncc1Cl Show InChI InChI=1S/C21H26ClFN6O3S/c1-11(2)29-12(3)25-20-15(23)7-13(8-17(20)29)19-14(22)9-24-21(27-19)26-16-5-6-28(10-18(16)30)33(4,31)32/h7-9,11,16,18,30H,5-6,10H2,1-4H3,(H,24,26,27)/t16-,18-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia antibodypedia GoogleScholar	PC cid PC sid UniChem	US Patent	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. US Patent					Assay Description CDK4/Cyclin D1: The purpose CDK4/Cyclin D1 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) in the presence of small molecule ...				US Patent US10766884 (2020)
					More data for this Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4) (Homo sapiens (Human))	BDBM462208 (US10766884, Example F26) Show SMILES CC(C)(C)n1cnc2c(F)cc(cc12)-c1nc(N[C@@H]2CCN(C[C@H]2O)C(=O)C2(F)CNC2)ncc1Cl Show InChI InChI=1S/C24H28ClF2N7O2/c1-23(2,3)34-12-30-20-15(26)6-13(7-17(20)34)19-14(25)8-29-22(32-19)31-16-4-5-33(9-18(16)35)21(36)24(27)10-28-11-24/h6-8,12,16,18,28,35H,4-5,9-11H2,1-3H3,(H,29,31,32)/t16-,18-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia antibodypedia GoogleScholar	PC cid PC sid UniChem	US Patent	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. US Patent					Assay Description CDK4/Cyclin D1: The purpose CDK4/Cyclin D1 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) in the presence of small molecule ...				US Patent US10766884 (2020)
					More data for this Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4) (Homo sapiens (Human))	BDBM462130 (US10766884, Example A47 | US10766884, Example A48) Show SMILES CC(N)c1nc2c(F)cc(cc2n1C(C)C)-c1nc(N[C@@H]2CCN(C[C@H]2O)S(C)(=O)=O)ncc1Cl Show InChI InChI=1S/C22H29ClFN7O3S/c1-11(2)31-17-8-13(7-15(24)20(17)28-21(31)12(3)25)19-14(23)9-26-22(29-19)27-16-5-6-30(10-18(16)32)35(4,33)34/h7-9,11-12,16,18,32H,5-6,10,25H2,1-4H3,(H,26,27,29)/t12?,16-,18-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia antibodypedia GoogleScholar	PC cid PC sid UniChem	US Patent	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. US Patent					Assay Description CDK4/Cyclin D1: The purpose CDK4/Cyclin D1 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) in the presence of small molecule ...				US Patent US10766884 (2020)
					More data for this Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4) (Homo sapiens (Human))	BDBM462101 (US10766884, Example A18) Show SMILES CC1(C)COCc2nc3c(F)cc(cc3n12)-c1nc(N[C@@H]2CCN(C[C@H]2O)S(C)(=O)=O)ncc1F Show InChI InChI=1S/C22H26F2N5O5S/c1-22(2)11-33-9-18-27-20-13(23)6-12(7-16(20)29(18)22)19-14(24)8-25-21(28-19)26-15-4-5-34(10-17(15)30)35(3,31)32/h6-8,15,17,30H,4-5,9-11H2,1-3H3,(H,25,26,28)/t15-,17-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia antibodypedia GoogleScholar	PC cid PC sid UniChem	US Patent	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. US Patent					Assay Description CDK4/Cyclin D1: The purpose CDK4/Cyclin D1 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) in the presence of small molecule ...				US Patent US10766884 (2020)
					More data for this Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4) (Homo sapiens (Human))	BDBM462109 (US10766884, Example A26) Show SMILES CC1(C)OCCn2nc3c(F)cc(cc3c12)-c1nc(N[C@@H]2CCN(C[C@H]2O)S(C)(=O)=O)ncc1Cl Show InChI InChI=1S/C22H26ClFN6O4S/c1-22(2)20-13-8-12(9-15(24)19(13)28-30(20)6-7-34-22)18-14(23)10-25-21(27-18)26-16-4-5-29(11-17(16)31)35(3,32)33/h8-10,16-17,31H,4-7,11H2,1-3H3,(H,25,26,27)/t16-,17-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia antibodypedia GoogleScholar	PC cid PC sid UniChem	US Patent	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. US Patent					Assay Description CDK4/Cyclin D1: The purpose CDK4/Cyclin D1 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) in the presence of small molecule ...				US Patent US10766884 (2020)
					More data for this Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4) (Homo sapiens (Human))	BDBM462169 ((Scheme A-9): Preparation of (3R,4R)-4-({4-[1-(aze...) Show SMILES CC(C)n1c(COC2CCCCO2)nc2c(F)cc(cc12)-c1nc(N[C@@H]2CCN(C[C@H]2O)S(C)(=O)=O)ncc1Cl Show InChI InChI=1S/C26H34ClFN6O5S/c1-15(2)34-20-11-16(10-18(28)25(20)31-22(34)14-39-23-6-4-5-9-38-23)24-17(27)12-29-26(32-24)30-19-7-8-33(13-21(19)35)40(3,36)37/h10-12,15,19,21,23,35H,4-9,13-14H2,1-3H3,(H,29,30,32)/t19-,21-,23?/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia antibodypedia GoogleScholar	PC cid PC sid UniChem	US Patent	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. US Patent					Assay Description CDK4/Cyclin D1: The purpose CDK4/Cyclin D1 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) in the presence of small molecule ...				US Patent US10766884 (2020)
					More data for this Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4) (Homo sapiens (Human))	BDBM462099 (US10766884, Example A16) Show SMILES CC(C)n1cnc2c(Cl)cc(cc12)-c1nc(N[C@@H]2CCN(C[C@H]2O)S(C)(=O)=O)ncc1Cl Show InChI InChI=1S/C20H24Cl2N5O4S/c1-11(2)27-10-24-19-13(21)6-12(7-16(19)27)18-14(22)8-23-20(26-18)25-15-4-5-31(9-17(15)28)32(3,29)30/h6-8,10-11,15,17,28H,4-5,9H2,1-3H3,(H,23,25,26)/t15-,17-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia antibodypedia GoogleScholar	PC cid PC sid UniChem	US Patent	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. US Patent					Assay Description CDK4/Cyclin D1: The purpose CDK4/Cyclin D1 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) in the presence of small molecule ...				US Patent US10766884 (2020)
					More data for this Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4) (Homo sapiens (Human))	BDBM462172 ((Scheme A-12): Preparation of (3R,4R)-4-({5-chloro...) Show SMILES CS(=O)(=O)N1CC[C@@H](Nc2ncc(Cl)c(n2)-c2cc(F)c3nc(CO)n(CC(F)(F)F)c3c2)[C@H](O)C1 Show InChI InChI=1S/C20H21ClF4N6O4S/c1-36(34,35)30-3-2-13(15(33)7-30)27-19-26-6-11(21)17(29-19)10-4-12(22)18-14(5-10)31(9-20(23,24)25)16(8-32)28-18/h4-6,13,15,32-33H,2-3,7-9H2,1H3,(H,26,27,29)/t13-,15-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia antibodypedia GoogleScholar	PC cid PC sid UniChem	US Patent	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. US Patent					Assay Description CDK4/Cyclin D1: The purpose CDK4/Cyclin D1 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) in the presence of small molecule ...				US Patent US10766884 (2020)
					More data for this Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4) (Homo sapiens (Human))	BDBM462175 ((Scheme A-15): Preparation of 1,5-anhydro-3-({5-ch...) Show SMILES C[C@@H](O)c1nc2c(F)cc(cc2n1C(C)C)-c1nc(N[C@@H]2CCN(C[C@H]2O)S(C)(=O)=O)ncc1Cl Show InChI InChI=1S/C22H28ClFN6O4S/c1-11(2)30-17-8-13(7-15(24)20(17)27-21(30)12(3)31)19-14(23)9-25-22(28-19)26-16-5-6-29(10-18(16)32)35(4,33)34/h7-9,11-12,16,18,31-32H,5-6,10H2,1-4H3,(H,25,26,28)/t12-,16-,18-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia antibodypedia GoogleScholar	PC cid PC sid UniChem	US Patent	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. US Patent					Assay Description CDK4/Cyclin D1: The purpose CDK4/Cyclin D1 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) in the presence of small molecule ...				US Patent US10766884 (2020)
					More data for this Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4) (Homo sapiens (Human))	BDBM462157 (US10766884, Example A73 | US10766884, Example A74) Show SMILES COCC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(N[C@@H]2CCN(C[C@H]2O)S(C)(=O)=O)ncc1Cl Show InChI InChI=1S/C22H28ClFN6O4S/c1-12(11-34-3)30-13(2)26-21-16(24)7-14(8-18(21)30)20-15(23)9-25-22(28-20)27-17-5-6-29(10-19(17)31)35(4,32)33/h7-9,12,17,19,31H,5-6,10-11H2,1-4H3,(H,25,27,28)/t12?,17-,19-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia antibodypedia GoogleScholar	PC cid PC sid UniChem	US Patent	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. US Patent					Assay Description CDK4/Cyclin D1: The purpose CDK4/Cyclin D1 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) in the presence of small molecule ...				US Patent US10766884 (2020)
					More data for this Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4) (Homo sapiens (Human))	BDBM462215 (US10766884, Example F33) Show SMILES CNC(=O)CN1CC[C@@H](Nc2cc(c(Cl)cn2)-c2ccc3ncn(c3n2)C(C)(C)C)[C@H](O)C1 Show InChI InChI=1S/C23H30ClN7O2/c1-23(2,3)31-13-27-18-6-5-16(29-22(18)31)14-9-20(26-10-15(14)24)28-17-7-8-30(11-19(17)32)12-21(33)25-4/h5-6,9-10,13,17,19,32H,7-8,11-12H2,1-4H3,(H,25,33)(H,26,28)/t17-,19-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia antibodypedia GoogleScholar	PC cid PC sid UniChem	US Patent	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. US Patent					Assay Description CDK4/Cyclin D1: The purpose CDK4/Cyclin D1 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) in the presence of small molecule ...				US Patent US10766884 (2020)
					More data for this Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4) (Homo sapiens (Human))	BDBM462145 (US10766884, Example A61) Show SMILES C[C@H](O)c1nc2c(F)cc(cc2n1C(C)(C)C)-c1nc(N[C@@H]2CCOC[C@H]2O)ncc1Cl Show InChI InChI=1S/C22H27ClFN5O3/c1-11(30)20-27-19-14(24)7-12(8-16(19)29(20)22(2,3)4)18-13(23)9-25-21(28-18)26-15-5-6-32-10-17(15)31/h7-9,11,15,17,30-31H,5-6,10H2,1-4H3,(H,25,26,28)/t11-,15+,17+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia antibodypedia GoogleScholar	PC cid PC sid UniChem	US Patent	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. US Patent					Assay Description CDK4/Cyclin D1: The purpose CDK4/Cyclin D1 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) in the presence of small molecule ...				US Patent US10766884 (2020)
					More data for this Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4) (Homo sapiens (Human))	BDBM462119 (US10766884, Example A36) Show SMILES CC(O)c1nc2c(F)cc(cc2n1C(C)C(F)F)-c1nc(N[C@@H]2CCOC[C@H]2O)ncc1Cl Show InChI InChI=1S/C21H23ClF3N5O3/c1-9(19(24)25)30-15-6-11(5-13(23)18(15)28-20(30)10(2)31)17-12(22)7-26-21(29-17)27-14-3-4-33-8-16(14)32/h5-7,9-10,14,16,19,31-32H,3-4,8H2,1-2H3,(H,26,27,29)/t9?,10?,14-,16-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia antibodypedia GoogleScholar	PC cid PC sid UniChem	US Patent	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. US Patent					Assay Description CDK4/Cyclin D1: The purpose CDK4/Cyclin D1 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) in the presence of small molecule ...				US Patent US10766884 (2020)
					More data for this Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4) (Homo sapiens (Human))	BDBM462113 (US10766884, Example A30) Show SMILES CC(C)n1c(nc2c(F)cc(cc12)-c1nc(N[C@@H]2CCN(C[C@H]2O)S(C)(=O)=O)ncc1Cl)C1COC1 Show InChI InChI=1S/C23H28ClFN6O4S/c1-12(2)31-18-7-13(6-16(25)21(18)28-22(31)14-10-35-11-14)20-15(24)8-26-23(29-20)27-17-4-5-30(9-19(17)32)36(3,33)34/h6-8,12,14,17,19,32H,4-5,9-11H2,1-3H3,(H,26,27,29)/t17-,19-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia antibodypedia GoogleScholar	PC cid PC sid UniChem	US Patent	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. US Patent					Assay Description CDK4/Cyclin D1: The purpose CDK4/Cyclin D1 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) in the presence of small molecule ...				US Patent US10766884 (2020)
					More data for this Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4) (Homo sapiens (Human))	BDBM462160 (US10766884, Example A76) Show SMILES CC(C)n1c(C)nc2ccc(cc12)-c1nc(N[C@@H]2CCN(C[C@H]2O)S(C)(=O)=O)ncc1F Show InChI InChI=1S/C21H27FN6O3S/c1-12(2)28-13(3)24-16-6-5-14(9-18(16)28)20-15(22)10-23-21(26-20)25-17-7-8-27(11-19(17)29)32(4,30)31/h5-6,9-10,12,17,19,29H,7-8,11H2,1-4H3,(H,23,25,26)/t17-,19-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia antibodypedia GoogleScholar	PC cid PC sid UniChem	US Patent	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. US Patent					Assay Description CDK4/Cyclin D1: The purpose CDK4/Cyclin D1 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) in the presence of small molecule ...				US Patent US10766884 (2020)
					More data for this Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4) (Homo sapiens (Human))	BDBM462123 (US10766884, Example A40) Show SMILES CC(N)Cn1c(C)nc2c(F)cc(cc12)-c1nc(N[C@@H]2CCN(C[C@H]2O)S(C)(=O)=O)ncc1Cl Show InChI InChI=1S/C21H27ClFN7O3S/c1-11(24)9-30-12(2)26-20-15(23)6-13(7-17(20)30)19-14(22)8-25-21(28-19)27-16-4-5-29(10-18(16)31)34(3,32)33/h6-8,11,16,18,31H,4-5,9-10,24H2,1-3H3,(H,25,27,28)/t11?,16-,18-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia antibodypedia GoogleScholar	PC cid PC sid UniChem	US Patent	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. US Patent					Assay Description CDK4/Cyclin D1: The purpose CDK4/Cyclin D1 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) in the presence of small molecule ...				US Patent US10766884 (2020)
					More data for this Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4) (Homo sapiens (Human))	BDBM462094 (US10766884, Example A11) Show SMILES C[C@@H]1COCc2nc3c(F)cc(cc3n12)-c1nc(N[C@@H]2CCN(C[C@H]2O)S(C)(=O)=O)ncc1Cl Show InChI InChI=1S/C21H24ClFN6O4S/c1-11-9-33-10-18-26-20-14(23)5-12(6-16(20)29(11)18)19-13(22)7-24-21(27-19)25-15-3-4-28(8-17(15)30)34(2,31)32/h5-7,11,15,17,30H,3-4,8-10H2,1-2H3,(H,24,25,27)/t11-,15-,17-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia antibodypedia GoogleScholar	PC cid PC sid UniChem	US Patent	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. US Patent					Assay Description CDK4/Cyclin D1: The purpose CDK4/Cyclin D1 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) in the presence of small molecule ...				US Patent US10766884 (2020)
					More data for this Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4) (Homo sapiens (Human))	BDBM462098 (US10766884, Example A15) Show SMILES CS(=O)(=O)N1CC[C@@H](Nc2ncc(Cl)c(n2)-c2cc(F)c3ncn(C4CC4)c3c2)[C@H](O)C1 Show InChI InChI=1S/C20H22ClFN5O4S/c1-32(29,30)31-5-4-15(17(28)9-31)25-20-23-8-13(21)18(26-20)11-6-14(22)19-16(7-11)27(10-24-19)12-2-3-12/h6-8,10,12,15,17,28H,2-5,9H2,1H3,(H,23,25,26)/t15-,17-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia antibodypedia GoogleScholar	PC cid PC sid UniChem	US Patent	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. US Patent					Assay Description CDK4/Cyclin D1: The purpose CDK4/Cyclin D1 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) in the presence of small molecule ...				US Patent US10766884 (2020)
					More data for this Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4) (Homo sapiens (Human))	BDBM462156 (US10766884, Example A72) Show SMILES Cc1nc2c(F)cc(cc2n1C1CC1)-c1nc(N[C@@H]2CCN(C[C@H]2O)S(C)(=O)=O)ncc1Cl Show InChI InChI=1S/C21H24ClFN6O3S/c1-11-25-20-15(23)7-12(8-17(20)29(11)13-3-4-13)19-14(22)9-24-21(27-19)26-16-5-6-28(10-18(16)30)33(2,31)32/h7-9,13,16,18,30H,3-6,10H2,1-2H3,(H,24,26,27)/t16-,18-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia antibodypedia GoogleScholar	PC cid PC sid UniChem	US Patent	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. US Patent					Assay Description CDK4/Cyclin D1: The purpose CDK4/Cyclin D1 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) in the presence of small molecule ...				US Patent US10766884 (2020)
					More data for this Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4) (Homo sapiens (Human))	BDBM462159 (US10766884, Example A75) Show SMILES COCc1nc2c(F)cc(cc2n1C(C)C)-c1nc(N[C@@H]2CCN(C[C@H]2O)S(C)(=O)=O)ncc1Cl Show InChI InChI=1S/C22H28ClFN6O4S/c1-12(2)30-17-8-13(7-15(24)21(17)27-19(30)11-34-3)20-14(23)9-25-22(28-20)26-16-5-6-29(10-18(16)31)35(4,32)33/h7-9,12,16,18,31H,5-6,10-11H2,1-4H3,(H,25,26,28)/t16-,18-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia antibodypedia GoogleScholar	PC cid PC sid UniChem	US Patent	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. US Patent					Assay Description CDK4/Cyclin D1: The purpose CDK4/Cyclin D1 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) in the presence of small molecule ...				US Patent US10766884 (2020)
					More data for this Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4) (Homo sapiens (Human))	BDBM462161 (US10766884, Example A77) Show SMILES CC(C)(C)n1cnc2ccc(cc12)-c1nc(N[C@@H]2CCN(C[C@H]2O)S(C)(=O)=O)ncc1F Show InChI InChI=1S/C21H27FN6O3S/c1-21(2,3)28-12-24-15-6-5-13(9-17(15)28)19-14(22)10-23-20(26-19)25-16-7-8-27(11-18(16)29)32(4,30)31/h5-6,9-10,12,16,18,29H,7-8,11H2,1-4H3,(H,23,25,26)/t16-,18-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia antibodypedia GoogleScholar	PC cid PC sid UniChem	US Patent	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. US Patent					Assay Description CDK4/Cyclin D1: The purpose CDK4/Cyclin D1 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) in the presence of small molecule ...				US Patent US10766884 (2020)
					More data for this Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4) (Homo sapiens (Human))	BDBM462203 (US10766884, Example F21) Show SMILES C[C@H](O)C(=O)N1CC[C@@H](Nc2ncc(Cl)c(n2)-c2cc(F)c3ncn(c3c2)C(C)(C)C)[C@H](O)C1 Show InChI InChI=1S/C23H28ClFN6O3/c1-12(32)21(34)30-6-5-16(18(33)10-30)28-22-26-9-14(24)19(29-22)13-7-15(25)20-17(8-13)31(11-27-20)23(2,3)4/h7-9,11-12,16,18,32-33H,5-6,10H2,1-4H3,(H,26,28,29)/t12-,16+,18+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia antibodypedia GoogleScholar	PC cid PC sid UniChem	US Patent	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. US Patent					Assay Description CDK4/Cyclin D1: The purpose CDK4/Cyclin D1 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) in the presence of small molecule ...				US Patent US10766884 (2020)
					More data for this Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4) (Homo sapiens (Human))	BDBM462216 (US10766884, Example G01) Show SMILES CC(C)n1c(nc2c(F)cc(cc12)-c1nc(N[C@@H]2CCN(C[C@H]2O)S(C)(=O)=O)ncc1Cl)C(C)=O Show InChI InChI=1S/C22H26ClFN6O4S/c1-11(2)30-17-8-13(7-15(24)20(17)27-21(30)12(3)31)19-14(23)9-25-22(28-19)26-16-5-6-29(10-18(16)32)35(4,33)34/h7-9,11,16,18,32H,5-6,10H2,1-4H3,(H,25,26,28)/t16-,18-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia antibodypedia GoogleScholar	PC cid PC sid UniChem	US Patent	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. US Patent					Assay Description CDK4/Cyclin D1: The purpose CDK4/Cyclin D1 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) in the presence of small molecule ...				US Patent US10766884 (2020)
					More data for this Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4) (Homo sapiens (Human))	BDBM462141 (US10766884, Example A57 | US10766884, Example A58) Show SMILES CC(C)n1c(CC(N)C(F)F)nc2c(F)cc(cc12)-c1nc(N[C@@H]2CCOC[C@H]2O)ncc1Cl Show InChI InChI=1S/C22H26ClF3N6O2/c1-10(2)32-16-6-11(5-13(24)20(16)30-18(32)7-14(27)21(25)26)19-12(23)8-28-22(31-19)29-15-3-4-34-9-17(15)33/h5-6,8,10,14-15,17,21,33H,3-4,7,9,27H2,1-2H3,(H,28,29,31)/t14?,15-,17-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia antibodypedia GoogleScholar	PC cid PC sid UniChem	US Patent	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. US Patent					Assay Description CDK4/Cyclin D1: The purpose CDK4/Cyclin D1 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) in the presence of small molecule ...				US Patent US10766884 (2020)
					More data for this Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4) (Homo sapiens (Human))	BDBM462181 (US10766884, Example D01) Show SMILES C[C@H](O)c1nc2c(F)cc(cc2n1C(C)C)-c1cc(N[C@@H]2CCN(C[C@H]2O)S(C)(=O)=O)ncc1Cl Show InChI InChI=1S/C23H29ClFN5O4S/c1-12(2)30-19-8-14(7-17(25)22(19)28-23(30)13(3)31)15-9-21(26-10-16(15)24)27-18-5-6-29(11-20(18)32)35(4,33)34/h7-10,12-13,18,20,31-32H,5-6,11H2,1-4H3,(H,26,27)/t13-,18+,20+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia antibodypedia GoogleScholar	PC cid PC sid UniChem	US Patent	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. US Patent					Assay Description CDK4/Cyclin D1: The purpose CDK4/Cyclin D1 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) in the presence of small molecule ...				US Patent US10766884 (2020)
					More data for this Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4) (Homo sapiens (Human))	BDBM462106 (US10766884, Example A23 | US10766884, Example A24) Show SMILES CC(C)n1c(nc2c(F)cc(cc12)-c1nc(N[C@@H]2CCOC[C@H]2O)ncc1Cl)C(C)(O)C1CC1 Show InChI InChI=1S/C24H29ClFN5O3/c1-12(2)31-18-9-13(8-16(26)21(18)29-22(31)24(3,33)14-4-5-14)20-15(25)10-27-23(30-20)28-17-6-7-34-11-19(17)32/h8-10,12,14,17,19,32-33H,4-7,11H2,1-3H3,(H,27,28,30)/t17-,19-,24?/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia antibodypedia GoogleScholar	PC cid PC sid UniChem	US Patent	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. US Patent					Assay Description CDK4/Cyclin D1: The purpose CDK4/Cyclin D1 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) in the presence of small molecule ...				US Patent US10766884 (2020)
					More data for this Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4) (Homo sapiens (Human))	BDBM462192 (US10766884, Example F10) Show SMILES CC(O)c1nc2c(F)cc(cc2n1C(C)C)-c1nc(N[C@@H]2CCN(C[C@H]2O)S(=O)(=O)C(F)F)ncc1Cl Show InChI InChI=1S/C22H26ClF3N6O4S/c1-10(2)32-16-7-12(6-14(24)19(16)29-20(32)11(3)33)18-13(23)8-27-22(30-18)28-15-4-5-31(9-17(15)34)37(35,36)21(25)26/h6-8,10-11,15,17,21,33-34H,4-5,9H2,1-3H3,(H,27,28,30)/t11?,15-,17-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia antibodypedia GoogleScholar	PC cid PC sid UniChem	US Patent	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. US Patent					Assay Description CDK4/Cyclin D1: The purpose CDK4/Cyclin D1 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) in the presence of small molecule ...				US Patent US10766884 (2020)
					More data for this Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4) (Homo sapiens (Human))	BDBM462164 (US10766884, Example A80 | US10766884, Example A82) Show SMILES CC1(C)OCCn2nc3c(F)cc(cc3c12)-c1nc(N[C@@H]2CCOC[C@H]2O)ncc1F Show InChI InChI=1S/C21H23F2N5O3/c1-21(2)19-12-7-11(8-13(22)18(12)27-28(19)4-6-31-21)17-14(23)9-24-20(26-17)25-15-3-5-30-10-16(15)29/h7-9,15-16,29H,3-6,10H2,1-2H3,(H,24,25,26)/t15-,16-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia antibodypedia GoogleScholar	PC cid PC sid UniChem	US Patent	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. US Patent					Assay Description CDK4/Cyclin D1: The purpose CDK4/Cyclin D1 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) in the presence of small molecule ...				US Patent US10766884 (2020)
					More data for this Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4) (Homo sapiens (Human))	BDBM462121 ((Scheme A-3): Preparation of (3R,4R)-4-[(4-{1-[(2R...) Show SMILES C[C@H](CN)n1c(C)nc2c(F)cc(cc12)-c1nc(N[C@@H]2CCN(C[C@H]2O)S(C)(=O)=O)ncc1Cl Show InChI InChI=1S/C21H27ClFN7O3S/c1-11(8-24)30-12(2)26-20-15(23)6-13(7-17(20)30)19-14(22)9-25-21(28-19)27-16-4-5-29(10-18(16)31)34(3,32)33/h6-7,9,11,16,18,31H,4-5,8,10,24H2,1-3H3,(H,25,27,28)/t11-,16-,18-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia antibodypedia GoogleScholar	PC cid PC sid UniChem	US Patent	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. US Patent					Assay Description CDK4/Cyclin D1: The purpose CDK4/Cyclin D1 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) in the presence of small molecule ...				US Patent US10766884 (2020)
					More data for this Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4) (Homo sapiens (Human))	BDBM462199 (US10766884, Example F17) Show SMILES CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(N[C@@H]2CCN(C[C@H]2O)C(=O)CO)ncc1F Show InChI InChI=1S/C22H26F2N6O3/c1-11(2)30-12(3)26-21-14(23)6-13(7-17(21)30)20-15(24)8-25-22(28-20)27-16-4-5-29(9-18(16)32)19(33)10-31/h6-8,11,16,18,31-32H,4-5,9-10H2,1-3H3,(H,25,27,28)/t16-,18-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia antibodypedia GoogleScholar	PC cid PC sid UniChem	US Patent	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. US Patent					Assay Description CDK4/Cyclin D1: The purpose CDK4/Cyclin D1 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) in the presence of small molecule ...				US Patent US10766884 (2020)
					More data for this Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4) (Homo sapiens (Human))	BDBM462146 (US10766884, Example A62) Show SMILES C[C@@H](O)c1nc2c(F)cc(cc2n1C(C)(C)C)-c1nc(N[C@@H]2CCN(C[C@H]2O)S(C)(=O)=O)ncc1Cl Show InChI InChI=1S/C23H30ClFN6O4S/c1-12(32)21-28-20-15(25)8-13(9-17(20)31(21)23(2,3)4)19-14(24)10-26-22(29-19)27-16-6-7-30(11-18(16)33)36(5,34)35/h8-10,12,16,18,32-33H,6-7,11H2,1-5H3,(H,26,27,29)/t12-,16-,18-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia antibodypedia GoogleScholar	PC cid PC sid UniChem	US Patent	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. US Patent					Assay Description CDK4/Cyclin D1: The purpose CDK4/Cyclin D1 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) in the presence of small molecule ...				US Patent US10766884 (2020)
					More data for this Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4) (Homo sapiens (Human))	BDBM462204 (US10766884, Example F22) Show SMILES CC(C)(C)n1cnc2ccc(nc12)-c1cc(N[C@@H]2CCN(C[C@H]2O)C(=O)CO)ncc1Cl Show InChI InChI=1S/C22H27ClN6O3/c1-22(2,3)29-12-25-17-5-4-15(27-21(17)29)13-8-19(24-9-14(13)23)26-16-6-7-28(10-18(16)31)20(32)11-30/h4-5,8-9,12,16,18,30-31H,6-7,10-11H2,1-3H3,(H,24,26)/t16-,18-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia antibodypedia GoogleScholar	PC cid PC sid UniChem	US Patent	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. US Patent					Assay Description CDK4/Cyclin D1: The purpose CDK4/Cyclin D1 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) in the presence of small molecule ...				US Patent US10766884 (2020)
					More data for this Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4) (Homo sapiens (Human))	BDBM462209 (US10766884, Example F27) Show SMILES CC(C)n1cnc2c(F)cc(cc12)-c1nc(N[C@@H]2CCN(C[C@H]2O)C(=O)C2(F)CNC2)ncc1Cl Show InChI InChI=1S/C23H26ClF2N7O2/c1-12(2)33-11-29-20-15(25)5-13(6-17(20)33)19-14(24)7-28-22(31-19)30-16-3-4-32(8-18(16)34)21(35)23(26)9-27-10-23/h5-7,11-12,16,18,27,34H,3-4,8-10H2,1-2H3,(H,28,30,31)/t16-,18-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia antibodypedia GoogleScholar	PC cid PC sid UniChem	US Patent	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. US Patent					Assay Description CDK4/Cyclin D1: The purpose CDK4/Cyclin D1 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) in the presence of small molecule ...				US Patent US10766884 (2020)
					More data for this Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4) (Homo sapiens (Human))	BDBM462212 ((Scheme F-7): Preparation of 2-[(3R,4R)-4-{[4-(3-t...) Show SMILES CC(C)(C)n1cnc2c(F)cc(cc12)-c1nc(N[C@@H]2CCN(C[C@H]2O)C(=O)C2(N)CC(F)(F)C2)ncc1Cl Show InChI InChI=1S/C25H29ClF3N7O2/c1-23(2,3)36-12-32-20-15(27)6-13(7-17(20)36)19-14(26)8-31-22(34-19)33-16-4-5-35(9-18(16)37)21(38)24(30)10-25(28,29)11-24/h6-8,12,16,18,37H,4-5,9-11,30H2,1-3H3,(H,31,33,34)/t16-,18-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia antibodypedia GoogleScholar	PC cid PC sid UniChem	US Patent	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. US Patent					Assay Description CDK4/Cyclin D1: The purpose CDK4/Cyclin D1 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) in the presence of small molecule ...				US Patent US10766884 (2020)
					More data for this Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4) (Homo sapiens (Human))	BDBM462114 (US10766884, Example A31 | US10766884, Example A32) Show SMILES CC(C)n1c(nc2c(F)cc(cc12)-c1nc(N[C@@H]2CCN(C[C@H]2O)S(C)(=O)=O)ncc1Cl)C1CCO1 Show InChI InChI=1S/C23H28ClFN6O4S/c1-12(2)31-17-9-13(8-15(25)21(17)28-22(31)19-5-7-35-19)20-14(24)10-26-23(29-20)27-16-4-6-30(11-18(16)32)36(3,33)34/h8-10,12,16,18-19,32H,4-7,11H2,1-3H3,(H,26,27,29)/t16-,18-,19?/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia antibodypedia GoogleScholar	PC cid PC sid UniChem	US Patent	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. US Patent					Assay Description CDK4/Cyclin D1: The purpose CDK4/Cyclin D1 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) in the presence of small molecule ...				US Patent US10766884 (2020)
					More data for this Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4) (Homo sapiens (Human))	BDBM462226 (US10766884, Example H10) Show SMILES CC(C)NCc1nc2c(F)cc(cc2n1C(C)C)-c1nc(N[C@@H]2CCN(C[C@H]2O)S(C)(=O)=O)ncc1Cl Show InChI InChI=1S/C24H33ClFN7O3S/c1-13(2)27-11-21-30-23-17(26)8-15(9-19(23)33(21)14(3)4)22-16(25)10-28-24(31-22)29-18-6-7-32(12-20(18)34)37(5,35)36/h8-10,13-14,18,20,27,34H,6-7,11-12H2,1-5H3,(H,28,29,31)/t18-,20-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia antibodypedia GoogleScholar	PC cid PC sid UniChem	US Patent	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. US Patent					Assay Description CDK4/Cyclin D1: The purpose CDK4/Cyclin D1 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) in the presence of small molecule ...				US Patent US10766884 (2020)
					More data for this Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4) (Homo sapiens (Human))	BDBM462097 (US10766884, Example A14) Show SMILES CS(=O)(=O)N1CC[C@@H](Nc2ncc(Cl)c(n2)-c2cc(F)c3ncn(C4CCOC4)c3c2)[C@H](O)C1 Show InChI InChI=1S/C21H24ClFN5O5S/c1-34(30,31)33-5-3-16(18(29)10-33)26-21-24-8-14(22)19(27-21)12-6-15(23)20-17(7-12)28(11-25-20)13-2-4-32-9-13/h6-8,11,13,16,18,29H,2-5,9-10H2,1H3,(H,24,26,27)/t13?,16-,18-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia antibodypedia GoogleScholar	PC cid PC sid UniChem	US Patent	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. US Patent					Assay Description CDK4/Cyclin D1: The purpose CDK4/Cyclin D1 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) in the presence of small molecule ...				US Patent US10766884 (2020)
					More data for this Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4) (Homo sapiens (Human))	BDBM462171 ((Scheme A-11): Preparation of (3R,4R)-4-({5-chloro...) Show SMILES Cc1nc2c(F)cc(cc2n1C1COC1)-c1nc(N[C@@H]2CCN(C[C@H]2O)S(C)(=O)=O)ncc1Cl Show InChI InChI=1S/C21H24ClFN6O4S/c1-11-25-20-15(23)5-12(6-17(20)29(11)13-9-33-10-13)19-14(22)7-24-21(27-19)26-16-3-4-28(8-18(16)30)34(2,31)32/h5-7,13,16,18,30H,3-4,8-10H2,1-2H3,(H,24,26,27)/t16-,18-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia antibodypedia GoogleScholar	PC cid PC sid UniChem	US Patent	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. US Patent					Assay Description CDK4/Cyclin D1: The purpose CDK4/Cyclin D1 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) in the presence of small molecule ...				US Patent US10766884 (2020)
					More data for this Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4) (Homo sapiens (Human))	BDBM462111 (US10766884, Example A28) Show SMILES CC(C)c1n(C)nc2ccc(cc12)-c1nc(N[C@@H]2CCN(C[C@H]2O)S(C)(=O)=O)ncc1Cl Show InChI InChI=1S/C21H27ClN6O3S/c1-12(2)20-14-9-13(5-6-16(14)26-27(20)3)19-15(22)10-23-21(25-19)24-17-7-8-28(11-18(17)29)32(4,30)31/h5-6,9-10,12,17-18,29H,7-8,11H2,1-4H3,(H,23,24,25)/t17-,18-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia antibodypedia GoogleScholar	PC cid PC sid UniChem	US Patent	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. US Patent					Assay Description CDK4/Cyclin D1: The purpose CDK4/Cyclin D1 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) in the presence of small molecule ...				US Patent US10766884 (2020)
					More data for this Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4) (Homo sapiens (Human))	BDBM462190 (US10766884, Example F08) Show SMILES CCS(=O)(=O)N1CC[C@@H](Nc2ncc(Cl)c(n2)-c2cc(F)c3nc(C)n(C4COC4)c3c2)[C@H](O)C1 Show InChI InChI=1S/C22H26ClFN6O4S/c1-3-35(32,33)29-5-4-17(19(31)9-29)27-22-25-8-15(23)20(28-22)13-6-16(24)21-18(7-13)30(12(2)26-21)14-10-34-11-14/h6-8,14,17,19,31H,3-5,9-11H2,1-2H3,(H,25,27,28)/t17-,19-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia antibodypedia GoogleScholar	PC cid PC sid UniChem	US Patent	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. US Patent					Assay Description CDK4/Cyclin D1: The purpose CDK4/Cyclin D1 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) in the presence of small molecule ...				US Patent US10766884 (2020)
					More data for this Ligand-Target Pair

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