Compile Data Set for Download or QSAR

Found 114 hits with Last Name = 'gaston' and Initial = 'rd'   

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
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50136106 (4-(6-Benzyl-benzo[1,3]dioxol-5-yl)-benzenesulfonam...) Show SMILES NS(=O)(=O)c1ccc(cc1)-c1cc2OCOc2cc1Cc1ccccc1 Show InChI InChI=1S/C20H17NO4S/c21-26(22,23)17-8-6-15(7-9-17)18-12-20-19(24-13-25-20)11-16(18)10-14-4-2-1-3-5-14/h1-9,11-12H,10,13H2,(H2,21,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
NitroMed, Inc Curated by ChEMBL					Assay Description Compound was tested for the inhibition of human Prostaglandin G/H synthase 2 (COX-2) in human whole blood				J Med Chem 46: 5484-504 (2003) Article DOI: 10.1021/jm030268b BindingDB Entry DOI: 10.7270/Q2FX78WK
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM11639 (4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyraz...) Show SMILES Cc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F Show InChI InChI=1S/C17H14F3N3O2S/c1-11-2-4-12(5-3-11)15-10-16(17(18,19)20)22-23(15)13-6-8-14(9-7-13)26(21,24)25/h2-10H,1H3,(H2,21,24,25)	PDB MMDB NCI pathway 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	DrugBank PDB Article PubMed	n/a	n/a	54	n/a	n/a	n/a	n/a	n/a	n/a
NitroMed, Inc Curated by ChEMBL					Assay Description Compound was tested for the inhibition of recombinant human Prostaglandin G/H synthase 2 (COX-2)				J Med Chem 46: 5484-504 (2003) Article DOI: 10.1021/jm030268b BindingDB Entry DOI: 10.7270/Q2FX78WK
					More data for this Ligand-Target Pair				3D Structure (crystal)
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50136109 (5-Cyclohexylidenemethyl-6-(4-methanesulfonyl-pheny...) Show SMILES [#6]S(=O)(=O)c1ccc(cc1)-c1cc2-[#8]-[#6]-[#8]-c2cc1\[#6]=[#6]-1\[#6]-[#6]-[#6]-[#6]-[#6]-1 Show InChI InChI=1S/C21H22O4S/c1-26(22,23)18-9-7-16(8-10-18)19-13-21-20(24-14-25-21)12-17(19)11-15-5-3-2-4-6-15/h7-13H,2-6,14H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
NitroMed, Inc Curated by ChEMBL					Assay Description Compound was tested for the inhibition of recombinant human Prostaglandin G/H synthase 2 (COX-2) by enzyme Assay				J Med Chem 46: 5484-504 (2003) Article DOI: 10.1021/jm030268b BindingDB Entry DOI: 10.7270/Q2FX78WK
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50136108 (5-Cycloheptylidenemethyl-6-(4-methanesulfonyl-phen...) Show SMILES [#6]S(=O)(=O)c1ccc(cc1)-c1cc2-[#8]-[#6]-[#8]-c2cc1\[#6]=[#6]-1/[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-1 Show InChI InChI=1S/C22H24O4S/c1-27(23,24)19-10-8-17(9-11-19)20-14-22-21(25-15-26-22)13-18(20)12-16-6-4-2-3-5-7-16/h8-14H,2-7,15H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
NitroMed, Inc Curated by ChEMBL					Assay Description Compound was tested for the inhibition of human Prostaglandin G/H synthase 2 (COX-2) in human whole blood				J Med Chem 46: 5484-504 (2003) Article DOI: 10.1021/jm030268b BindingDB Entry DOI: 10.7270/Q2FX78WK
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM22369 (4-(4-methanesulfonylphenyl)-3-phenyl-2,5-dihydrofu...) Show SMILES CS(=O)(=O)c1ccc(cc1)C1=C(C(=O)OC1)c1ccccc1 |t:11| Show InChI InChI=1S/C17H14O4S/c1-22(19,20)14-9-7-12(8-10-14)15-11-21-17(18)16(15)13-5-3-2-4-6-13/h2-10H,11H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
NitroMed, Inc Curated by ChEMBL					Assay Description Compound was tested for the inhibition of human Prostaglandin G/H synthase 2 (COX-2) in human whole blood				J Med Chem 46: 5484-504 (2003) Article DOI: 10.1021/jm030268b BindingDB Entry DOI: 10.7270/Q2FX78WK
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1 (Homo sapiens (Human))	BDBM443117 (US10654831, Compound 20) Show SMILES CN1CCN(CC1)c1ccc(Nc2nccc(n2)N2CC(=O)NCC22CCCCC2)nc1 Show InChI InChI=1S/C23H32N8O/c1-29-11-13-30(14-12-29)18-5-6-19(25-15-18)27-22-24-10-7-20(28-22)31-16-21(32)26-17-23(31)8-3-2-4-9-23/h5-7,10,15H,2-4,8-9,11-14,16-17H2,1H3,(H,26,32)(H,24,25,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	440	n/a	n/a	n/a	n/a	n/a	n/a
G1 Therapeutics, Inc. US Patent					Assay Description Selected compounds disclosed herein were tested in CDK4/cyclinD1, CDK2/CycA and CDK2/cyclinE kinase assays to determine their inhibitory effect on th...				US Patent US10654831 (2020) BindingDB Entry DOI: 10.7270/Q2JS9TFP
					More data for this Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM443117 (US10654831, Compound 20) Show SMILES CN1CCN(CC1)c1ccc(Nc2nccc(n2)N2CC(=O)NCC22CCCCC2)nc1 Show InChI InChI=1S/C23H32N8O/c1-29-11-13-30(14-12-29)18-5-6-19(25-15-18)27-22-24-10-7-20(28-22)31-16-21(32)26-17-23(31)8-3-2-4-9-23/h5-7,10,15H,2-4,8-9,11-14,16-17H2,1H3,(H,26,32)(H,24,25,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	750	n/a	n/a	n/a	n/a	n/a	n/a
G1 Therapeutics, Inc. US Patent					Assay Description Selected compounds disclosed herein were tested in CDK4/cyclinD1, CDK2/CycA and CDK2/cyclinE kinase assays to determine their inhibitory effect on th...				US Patent US10654831 (2020) BindingDB Entry DOI: 10.7270/Q2JS9TFP
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1 (Homo sapiens (Human))	BDBM443121 (US10654831, Compound 46) Show SMILES CC(C)[C@H]1CNC(=O)N1c1ccnc(Nc2ccc(cn2)N2CCN(C)CC2)n1 |r| Show InChI InChI=1S/C20H28N8O/c1-14(2)16-13-23-20(29)28(16)18-6-7-21-19(25-18)24-17-5-4-15(12-22-17)27-10-8-26(3)9-11-27/h4-7,12,14,16H,8-11,13H2,1-3H3,(H,23,29)(H,21,22,24,25)/t16-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	761	n/a	n/a	n/a	n/a	n/a	n/a
G1 Therapeutics, Inc. US Patent					Assay Description Selected compounds disclosed herein were tested in CDK4/cyclinD1, CDK2/CycA and CDK2/cyclinE kinase assays to determine their inhibitory effect on th...				US Patent US10654831 (2020) BindingDB Entry DOI: 10.7270/Q2JS9TFP
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1 (Homo sapiens (Human))	BDBM443113 (US10654831, Compound 6) Show SMILES CN1CCN(CC1)c1ccc(Nc2nccc(n2)N2C(=O)NCC22CCCCC2)nc1 Show InChI InChI=1S/C22H30N8O/c1-28-11-13-29(14-12-28)17-5-6-18(24-15-17)26-20-23-10-7-19(27-20)30-21(31)25-16-22(30)8-3-2-4-9-22/h5-7,10,15H,2-4,8-9,11-14,16H2,1H3,(H,25,31)(H,23,24,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
G1 Therapeutics, Inc. US Patent					Assay Description Selected compounds disclosed herein were tested in CDK4/cyclinD1, CDK2/CycA and CDK2/cyclinE kinase assays to determine their inhibitory effect on th...				US Patent US10654831 (2020) BindingDB Entry DOI: 10.7270/Q2JS9TFP
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 6/G1/S-specific cyclin-D3 (Homo sapiens (Human))	BDBM443117 (US10654831, Compound 20) Show SMILES CN1CCN(CC1)c1ccc(Nc2nccc(n2)N2CC(=O)NCC22CCCCC2)nc1 Show InChI InChI=1S/C23H32N8O/c1-29-11-13-30(14-12-29)18-5-6-19(25-15-18)27-22-24-10-7-20(28-22)31-16-21(32)26-17-23(31)8-3-2-4-9-23/h5-7,10,15H,2-4,8-9,11-14,16-17H2,1H3,(H,26,32)(H,24,25,27,28)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
G1 Therapeutics, Inc. US Patent					Assay Description Selected compounds disclosed herein were tested in CDK4/cyclinD1, CDK2/CycA and CDK2/cyclinE kinase assays to determine their inhibitory effect on th...				US Patent US10654831 (2020) BindingDB Entry DOI: 10.7270/Q2JS9TFP
					More data for this Ligand-Target Pair
Cellular tumor antigen p53 (Homo sapiens (Human))	BDBM50229787 ((4S,5R)-Nutlin-3 | (rac)-(4,5-bis(4-chlorophenyl)-...) Show SMILES COc1ccc(C2=N[C@H]([C@H](N2C(=O)N2CCNC(=O)C2)c2ccc(Cl)cc2)c2ccc(Cl)cc2)c(OC(C)C)c1 |t:6| Show InChI InChI=1S/C30H30Cl2N4O4/c1-18(2)40-25-16-23(39-3)12-13-24(25)29-34-27(19-4-8-21(31)9-5-19)28(20-6-10-22(32)11-7-20)36(29)30(38)35-15-14-33-26(37)17-35/h4-13,16,18,27-28H,14-15,17H2,1-3H3,(H,33,37)/t27-,28+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Induction of p53 in human HCT116 cells coexpressing pp53TA-luc assessed as inhibition of cell proliferation after 8 hrs by firefly/renilla luciferase...				J Med Chem 52: 7044-53 (2009) Article DOI: 10.1021/jm900681h BindingDB Entry DOI: 10.7270/Q2ZK5GRQ
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50136107 ((3-Fluoro-phenyl)-[6-(4-methanesulfonyl-phenyl)-be...) Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cc2OCOc2cc1C(=O)c1cccc(F)c1 Show InChI InChI=1S/C21H15FO5S/c1-28(24,25)16-7-5-13(6-8-16)17-10-19-20(27-12-26-19)11-18(17)21(23)14-3-2-4-15(22)9-14/h2-11H,12H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
NitroMed, Inc Curated by ChEMBL					Assay Description Compound was tested for the inhibition of human Prostaglandin G/H synthase 2 (COX-2) in human whole blood				J Med Chem 46: 5484-504 (2003) Article DOI: 10.1021/jm030268b BindingDB Entry DOI: 10.7270/Q2FX78WK
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM22369 (4-(4-methanesulfonylphenyl)-3-phenyl-2,5-dihydrofu...) Show SMILES CS(=O)(=O)c1ccc(cc1)C1=C(C(=O)OC1)c1ccccc1 |t:11| Show InChI InChI=1S/C17H14O4S/c1-22(19,20)14-9-7-12(8-10-14)15-11-21-17(18)16(15)13-5-3-2-4-6-13/h2-10H,11H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
NitroMed, Inc Curated by ChEMBL					Assay Description Compound was tested for the inhibition of human Prostaglandin G/H synthase 2 (COX-2) in human whole blood				J Med Chem 46: 5484-504 (2003) Article DOI: 10.1021/jm030268b BindingDB Entry DOI: 10.7270/Q2FX78WK
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cellular tumor antigen p53 (Homo sapiens (Human))	BDBM50025671 (CHEMBL583413) Show SMILES CN1c2ncnn2C(C2=C1c1cc(C)ccc1OC2c1ccc(Br)cc1)c1ccc(Br)cc1 |c:9| Show InChI InChI=1S/C26H20Br2N4O/c1-15-3-12-21-20(13-15)24-22(25(33-21)17-6-10-19(28)11-7-17)23(16-4-8-18(27)9-5-16)32-26(31(24)2)29-14-30-32/h3-14,23,25H,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Induction of p53-Ser15 phosphorylation in human HCT116 cells after 24 hrs				J Med Chem 52: 7044-53 (2009) Article DOI: 10.1021/jm900681h BindingDB Entry DOI: 10.7270/Q2ZK5GRQ
					More data for this Ligand-Target Pair
Cellular tumor antigen p53 (Homo sapiens (Human))	BDBM50229787 ((4S,5R)-Nutlin-3 | (rac)-(4,5-bis(4-chlorophenyl)-...) Show SMILES COc1ccc(C2=N[C@H]([C@H](N2C(=O)N2CCNC(=O)C2)c2ccc(Cl)cc2)c2ccc(Cl)cc2)c(OC(C)C)c1 |t:6| Show InChI InChI=1S/C30H30Cl2N4O4/c1-18(2)40-25-16-23(39-3)12-13-24(25)29-34-27(19-4-8-21(31)9-5-19)28(20-6-10-22(32)11-7-20)36(29)30(38)35-15-14-33-26(37)17-35/h4-13,16,18,27-28H,14-15,17H2,1-3H3,(H,33,37)/t27-,28+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Induction of p53-Ser15 phosphorylation in human HCT116 cells after 24 hrs				J Med Chem 52: 7044-53 (2009) Article DOI: 10.1021/jm900681h BindingDB Entry DOI: 10.7270/Q2ZK5GRQ
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM11639 (4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyraz...) Show SMILES Cc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F Show InChI InChI=1S/C17H14F3N3O2S/c1-11-2-4-12(5-3-11)15-10-16(17(18,19)20)22-23(15)13-6-8-14(9-7-13)26(21,24)25/h2-10H,1H3,(H2,21,24,25)	PDB MMDB NCI pathway 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	DrugBank PDB Article PubMed	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
NitroMed, Inc Curated by ChEMBL					Assay Description Compound was tested for the inhibition of human Prostaglandin G/H synthase 2 (COX-2) in human whole blood				J Med Chem 46: 5484-504 (2003) Article DOI: 10.1021/jm030268b BindingDB Entry DOI: 10.7270/Q2FX78WK
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1 (Homo sapiens (Human))	BDBM443122 (US10654831, Compound 52) Show SMILES C[C@H]1CNC(=O)N1c1ccnc(Nc2ccc(cn2)N2CCN(C)CC2)n1 |r| Show InChI InChI=1S/C18H24N8O/c1-13-11-21-18(27)26(13)16-5-6-19-17(23-16)22-15-4-3-14(12-20-15)25-9-7-24(2)8-10-25/h3-6,12-13H,7-11H2,1-2H3,(H,21,27)(H,19,20,22,23)/t13-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
G1 Therapeutics, Inc. US Patent					Assay Description Selected compounds disclosed herein were tested in CDK4/cyclinD1, CDK2/CycA and CDK2/cyclinE kinase assays to determine their inhibitory effect on th...				US Patent US10654831 (2020) BindingDB Entry DOI: 10.7270/Q2JS9TFP
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1 (Homo sapiens (Human))	BDBM443120 (US10654831, Compound 40) Show SMILES C[C@H]1CNC(=O)CN1c1ccnc(Nc2ccc(cn2)N2CCN(C)CC2)n1 |r| Show InChI InChI=1S/C19H26N8O/c1-14-11-22-18(28)13-27(14)17-5-6-20-19(24-17)23-16-4-3-15(12-21-16)26-9-7-25(2)8-10-26/h3-6,12,14H,7-11,13H2,1-2H3,(H,22,28)(H,20,21,23,24)/t14-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
G1 Therapeutics, Inc. US Patent					Assay Description Selected compounds disclosed herein were tested in CDK4/cyclinD1, CDK2/CycA and CDK2/cyclinE kinase assays to determine their inhibitory effect on th...				US Patent US10654831 (2020) BindingDB Entry DOI: 10.7270/Q2JS9TFP
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1 (Homo sapiens (Human))	BDBM443115 (US10654831, Compound 10) Show SMILES CN1CCN(CC1)c1ccc(Nc2nccc(n2)N2C(=O)N(Cc3ccccc3)CC22CCCCC2)nc1 Show InChI InChI=1S/C29H36N8O/c1-34-16-18-35(19-17-34)24-10-11-25(31-20-24)32-27-30-15-12-26(33-27)37-28(38)36(21-23-8-4-2-5-9-23)22-29(37)13-6-3-7-14-29/h2,4-5,8-12,15,20H,3,6-7,13-14,16-19,21-22H2,1H3,(H,30,31,32,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.71E+3	n/a	n/a	n/a	n/a	n/a	n/a
G1 Therapeutics, Inc. US Patent					Assay Description Selected compounds disclosed herein were tested in CDK4/cyclinD1, CDK2/CycA and CDK2/cyclinE kinase assays to determine their inhibitory effect on th...				US Patent US10654831 (2020) BindingDB Entry DOI: 10.7270/Q2JS9TFP
					More data for this Ligand-Target Pair
Cellular tumor antigen p53 (Homo sapiens (Human))	BDBM50025671 (CHEMBL583413) Show SMILES CN1c2ncnn2C(C2=C1c1cc(C)ccc1OC2c1ccc(Br)cc1)c1ccc(Br)cc1 |c:9| Show InChI InChI=1S/C26H20Br2N4O/c1-15-3-12-21-20(13-15)24-22(25(33-21)17-6-10-19(28)11-7-17)23(16-4-8-18(27)9-5-16)32-26(31(24)2)29-14-30-32/h3-14,23,25H,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Induction of p53 in human HCT116 cells coexpressing pp53TA-luc assessed as inhibition of cell proliferation after 8 hrs by firefly/renilla luciferase...				J Med Chem 52: 7044-53 (2009) Article DOI: 10.1021/jm900681h BindingDB Entry DOI: 10.7270/Q2ZK5GRQ
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1 (Homo sapiens (Human))	BDBM443114 (US10654831, Compound 8) Show SMILES CN1CC2(CCCCC2)N(C1=O)c1ccnc(Nc2ccc(cn2)N2CCN(C)CC2)n1 Show InChI InChI=1S/C23H32N8O/c1-28-12-14-30(15-13-28)18-6-7-19(25-16-18)26-21-24-11-8-20(27-21)31-22(32)29(2)17-23(31)9-4-3-5-10-23/h6-8,11,16H,3-5,9-10,12-15,17H2,1-2H3,(H,24,25,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.27E+3	n/a	n/a	n/a	n/a	n/a	n/a
G1 Therapeutics, Inc. US Patent					Assay Description Selected compounds disclosed herein were tested in CDK4/cyclinD1, CDK2/CycA and CDK2/cyclinE kinase assays to determine their inhibitory effect on th...				US Patent US10654831 (2020) BindingDB Entry DOI: 10.7270/Q2JS9TFP
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 6/G1/S-specific cyclin-D3 (Homo sapiens (Human))	BDBM443121 (US10654831, Compound 46) Show SMILES CC(C)[C@H]1CNC(=O)N1c1ccnc(Nc2ccc(cn2)N2CCN(C)CC2)n1 |r| Show InChI InChI=1S/C20H28N8O/c1-14(2)16-13-23-20(29)28(16)18-6-7-21-19(25-18)24-17-5-4-15(12-22-17)27-10-8-26(3)9-11-27/h4-7,12,14,16H,8-11,13H2,1-3H3,(H,23,29)(H,21,22,24,25)/t16-/m1/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
G1 Therapeutics, Inc. US Patent					Assay Description Selected compounds disclosed herein were tested in CDK4/cyclinD1, CDK2/CycA and CDK2/cyclinE kinase assays to determine their inhibitory effect on th...				US Patent US10654831 (2020) BindingDB Entry DOI: 10.7270/Q2JS9TFP
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 6/G1/S-specific cyclin-D3 (Homo sapiens (Human))	BDBM443116 (US10654831, Compound 16) Show SMILES CN1CCN(CC1)c1ccc(Nc2nccc(n2)N2CCNC2=O)nc1 Show InChI InChI=1S/C17H22N8O/c1-23-8-10-24(11-9-23)13-2-3-14(20-12-13)21-16-18-5-4-15(22-16)25-7-6-19-17(25)26/h2-5,12H,6-11H2,1H3,(H,19,26)(H,18,20,21,22)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
G1 Therapeutics, Inc. US Patent					Assay Description Selected compounds disclosed herein were tested in CDK4/cyclinD1, CDK2/CycA and CDK2/cyclinE kinase assays to determine their inhibitory effect on th...				US Patent US10654831 (2020) BindingDB Entry DOI: 10.7270/Q2JS9TFP
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1 (Homo sapiens (Human))	BDBM443126 (US10654831, Compound 56) Show SMILES CC[C@H]1CC(=O)NN1c1ccnc(Nc2ccc(cn2)N2CCN(C)CC2)n1 |r| Show InChI InChI=1S/C19H26N8O/c1-3-14-12-18(28)24-27(14)17-6-7-20-19(23-17)22-16-5-4-15(13-21-16)26-10-8-25(2)9-11-26/h4-7,13-14H,3,8-12H2,1-2H3,(H,24,28)(H,20,21,22,23)/t14-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
G1 Therapeutics, Inc. US Patent					Assay Description Selected compounds disclosed herein were tested in CDK4/cyclinD1, CDK2/CycA and CDK2/cyclinE kinase assays to determine their inhibitory effect on th...				US Patent US10654831 (2020) BindingDB Entry DOI: 10.7270/Q2JS9TFP
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 6/G1/S-specific cyclin-D3 (Homo sapiens (Human))	BDBM443122 (US10654831, Compound 52) Show SMILES C[C@H]1CNC(=O)N1c1ccnc(Nc2ccc(cn2)N2CCN(C)CC2)n1 |r| Show InChI InChI=1S/C18H24N8O/c1-13-11-21-18(27)26(13)16-5-6-19-17(23-16)22-15-4-3-14(12-20-15)25-9-7-24(2)8-10-25/h3-6,12-13H,7-11H2,1-2H3,(H,21,27)(H,19,20,22,23)/t13-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
G1 Therapeutics, Inc. US Patent					Assay Description Selected compounds disclosed herein were tested in CDK4/cyclinD1, CDK2/CycA and CDK2/cyclinE kinase assays to determine their inhibitory effect on th...				US Patent US10654831 (2020) BindingDB Entry DOI: 10.7270/Q2JS9TFP
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 6/G1/S-specific cyclin-D3 (Homo sapiens (Human))	BDBM443113 (US10654831, Compound 6) Show SMILES CN1CCN(CC1)c1ccc(Nc2nccc(n2)N2C(=O)NCC22CCCCC2)nc1 Show InChI InChI=1S/C22H30N8O/c1-28-11-13-29(14-12-28)17-5-6-18(24-15-17)26-20-23-10-7-19(27-20)30-21(31)25-16-22(30)8-3-2-4-9-22/h5-7,10,15H,2-4,8-9,11-14,16H2,1H3,(H,25,31)(H,23,24,26,27)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.98E+3	n/a	n/a	n/a	n/a	n/a	n/a
G1 Therapeutics, Inc. US Patent					Assay Description Selected compounds disclosed herein were tested in CDK4/cyclinD1, CDK2/CycA and CDK2/cyclinE kinase assays to determine their inhibitory effect on th...				US Patent US10654831 (2020) BindingDB Entry DOI: 10.7270/Q2JS9TFP
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 6/G1/S-specific cyclin-D3 (Homo sapiens (Human))	BDBM443120 (US10654831, Compound 40) Show SMILES C[C@H]1CNC(=O)CN1c1ccnc(Nc2ccc(cn2)N2CCN(C)CC2)n1 |r| Show InChI InChI=1S/C19H26N8O/c1-14-11-22-18(28)13-27(14)17-5-6-20-19(24-17)23-16-4-3-15(12-21-16)26-9-7-25(2)8-10-26/h3-6,12,14H,7-11,13H2,1-2H3,(H,22,28)(H,20,21,23,24)/t14-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
G1 Therapeutics, Inc. US Patent					Assay Description Selected compounds disclosed herein were tested in CDK4/cyclinD1, CDK2/CycA and CDK2/cyclinE kinase assays to determine their inhibitory effect on th...				US Patent US10654831 (2020) BindingDB Entry DOI: 10.7270/Q2JS9TFP
					More data for this Ligand-Target Pair
Cellular tumor antigen p53 (Homo sapiens (Human))	BDBM50299820 ((+/-)-syn-6,7-Bis(4-bromophenyl)-1-ethoxy-12-methy...) Show SMILES CCOc1cccc2OC(C3=C(N(C)c4ncnn4C3c3ccc(Br)cc3)c12)c1ccc(Br)cc1 |t:10| Show InChI InChI=1S/C27H22Br2N4O2/c1-3-34-20-5-4-6-21-22(20)25-23(26(35-21)17-9-13-19(29)14-10-17)24(16-7-11-18(28)12-8-16)33-27(32(25)2)30-15-31-33/h4-15,24,26H,3H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Induction of p53 in human HCT116 cells coexpressing pp53TA-luc assessed as inhibition of cell proliferation after 8 hrs by firefly/renilla luciferase...				J Med Chem 52: 7044-53 (2009) Article DOI: 10.1021/jm900681h BindingDB Entry DOI: 10.7270/Q2ZK5GRQ
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1 (Homo sapiens (Human))	BDBM443116 (US10654831, Compound 16) Show SMILES CN1CCN(CC1)c1ccc(Nc2nccc(n2)N2CCNC2=O)nc1 Show InChI InChI=1S/C17H22N8O/c1-23-8-10-24(11-9-23)13-2-3-14(20-12-13)21-16-18-5-4-15(22-16)25-7-6-19-17(25)26/h2-5,12H,6-11H2,1H3,(H,19,26)(H,18,20,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	8.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
G1 Therapeutics, Inc. US Patent					Assay Description Selected compounds disclosed herein were tested in CDK4/cyclinD1, CDK2/CycA and CDK2/cyclinE kinase assays to determine their inhibitory effect on th...				US Patent US10654831 (2020) BindingDB Entry DOI: 10.7270/Q2JS9TFP
					More data for this Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM443116 (US10654831, Compound 16) Show SMILES CN1CCN(CC1)c1ccc(Nc2nccc(n2)N2CCNC2=O)nc1 Show InChI InChI=1S/C17H22N8O/c1-23-8-10-24(11-9-23)13-2-3-14(20-12-13)21-16-18-5-4-15(22-16)25-7-6-19-17(25)26/h2-5,12H,6-11H2,1H3,(H,19,26)(H,18,20,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	9.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
G1 Therapeutics, Inc. US Patent					Assay Description Selected compounds disclosed herein were tested in CDK4/cyclinD1, CDK2/CycA and CDK2/cyclinE kinase assays to determine their inhibitory effect on th...				US Patent US10654831 (2020) BindingDB Entry DOI: 10.7270/Q2JS9TFP
					More data for this Ligand-Target Pair
Cellular tumor antigen p53 (Homo sapiens (Human))	BDBM50299822 ((+/-)-syn-6,7-Bis(4-chlorophenyl)-12-methyl-7,12-d...) Show SMILES CN1c2ncnn2C(C2=C1c1ccccc1OC2c1ccc(Cl)cc1)c1ccc(Cl)cc1 |c:9| Show InChI InChI=1S/C25H18Cl2N4O/c1-30-23-19-4-2-3-5-20(19)32-24(16-8-12-18(27)13-9-16)21(23)22(31-25(30)28-14-29-31)15-6-10-17(26)11-7-15/h2-14,22,24H,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.37E+3	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Induction of p53 in human HCT116 cells coexpressing pp53TA-luc assessed as inhibition of cell proliferation after 8 hrs by firefly/renilla luciferase...				J Med Chem 52: 7044-53 (2009) Article DOI: 10.1021/jm900681h BindingDB Entry DOI: 10.7270/Q2ZK5GRQ
					More data for this Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM443113 (US10654831, Compound 6) Show SMILES CN1CCN(CC1)c1ccc(Nc2nccc(n2)N2C(=O)NCC22CCCCC2)nc1 Show InChI InChI=1S/C22H30N8O/c1-28-11-13-29(14-12-28)17-5-6-18(24-15-17)26-20-23-10-7-19(27-20)30-21(31)25-16-22(30)8-3-2-4-9-22/h5-7,10,15H,2-4,8-9,11-14,16H2,1H3,(H,25,31)(H,23,24,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	9.63E+3	n/a	n/a	n/a	n/a	n/a	n/a
G1 Therapeutics, Inc. US Patent					Assay Description Selected compounds disclosed herein were tested in CDK4/cyclinD1, CDK2/CycA and CDK2/cyclinE kinase assays to determine their inhibitory effect on th...				US Patent US10654831 (2020) BindingDB Entry DOI: 10.7270/Q2JS9TFP
					More data for this Ligand-Target Pair
Cyclin-A2/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM443121 (US10654831, Compound 46) Show SMILES CC(C)[C@H]1CNC(=O)N1c1ccnc(Nc2ccc(cn2)N2CCN(C)CC2)n1 |r| Show InChI InChI=1S/C20H28N8O/c1-14(2)16-13-23-20(29)28(16)18-6-7-21-19(25-18)24-17-5-4-15(12-22-17)27-10-8-26(3)9-11-27/h4-7,12,14,16H,8-11,13H2,1-3H3,(H,23,29)(H,21,22,24,25)/t16-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	9.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
G1 Therapeutics, Inc. US Patent					Assay Description Selected compounds disclosed herein were tested in CDK4/cyclinD1, CDK2/CycA and CDK2/cyclinE kinase assays to determine their inhibitory effect on th...				US Patent US10654831 (2020) BindingDB Entry DOI: 10.7270/Q2JS9TFP
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50136105 (5-Benzyl-6-(4-methanesulfonyl-phenyl)-benzo[1,3]di...) Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cc2OCOc2cc1Cc1ccccc1 Show InChI InChI=1S/C21H18O4S/c1-26(22,23)18-9-7-16(8-10-18)19-13-21-20(24-14-25-21)12-17(19)11-15-5-3-2-4-6-15/h2-10,12-13H,11,14H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
NitroMed, Inc Curated by ChEMBL					Assay Description Compound was tested for the inhibition of human Prostaglandin G/H synthase 2 (COX-2) in human whole blood				J Med Chem 46: 5484-504 (2003) Article DOI: 10.1021/jm030268b BindingDB Entry DOI: 10.7270/Q2FX78WK
					More data for this Ligand-Target Pair
Cellular tumor antigen p53 (Homo sapiens (Human))	BDBM50299818 ((+/-)-syn-6,7-Bis(4-bromophenyl)-3-fluoro-2,12-dim...) Show SMILES CN1c2ncnn2C(C2=C1c1cc(C)c(F)cc1OC2c1ccc(Br)cc1)c1ccc(Br)cc1 |c:9| Show InChI InChI=1S/C26H19Br2FN4O/c1-14-11-19-21(12-20(14)29)34-25(16-5-9-18(28)10-6-16)22-23(15-3-7-17(27)8-4-15)33-26(30-13-31-33)32(2)24(19)22/h3-13,23,25H,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.14E+4	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Induction of p53 in human HCT116 cells coexpressing pp53TA-luc assessed as inhibition of cell proliferation after 8 hrs by firefly/renilla luciferase...				J Med Chem 52: 7044-53 (2009) Article DOI: 10.1021/jm900681h BindingDB Entry DOI: 10.7270/Q2ZK5GRQ
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Homo sapiens (Human))	BDBM11639 (4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyraz...) Show SMILES Cc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F Show InChI InChI=1S/C17H14F3N3O2S/c1-11-2-4-12(5-3-11)15-10-16(17(18,19)20)22-23(15)13-6-8-14(9-7-13)26(21,24)25/h2-10H,1H3,(H2,21,24,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
NitroMed, Inc Curated by ChEMBL					Assay Description Compound was tested for the inhibition of human Prostaglandin G/H synthase 1 (COX-1) in human whole blood				J Med Chem 46: 5484-504 (2003) Article DOI: 10.1021/jm030268b BindingDB Entry DOI: 10.7270/Q2FX78WK
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1 (Homo sapiens (Human))	BDBM443119 (US10654831, Compound 32) Show SMILES CN1CCN(CC1)c1ccc(Nc2nccc(n2)N2CCNC(=O)C2)nc1 Show InChI InChI=1S/C18H24N8O/c1-24-8-10-25(11-9-24)14-2-3-15(21-12-14)22-18-20-5-4-16(23-18)26-7-6-19-17(27)13-26/h2-5,12H,6-11,13H2,1H3,(H,19,27)(H,20,21,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.44E+4	n/a	n/a	n/a	n/a	n/a	n/a
G1 Therapeutics, Inc. US Patent					Assay Description Selected compounds disclosed herein were tested in CDK4/cyclinD1, CDK2/CycA and CDK2/cyclinE kinase assays to determine their inhibitory effect on th...				US Patent US10654831 (2020) BindingDB Entry DOI: 10.7270/Q2JS9TFP
					More data for this Ligand-Target Pair
Cellular tumor antigen p53 (Homo sapiens (Human))	BDBM50299821 ((+/-)-syn-7-(4-Bromophenyl)-6-(4-chlorophenyl)-12-...) Show SMILES CN1c2ncnn2C(C2=C1c1ccccc1OC2c1ccc(Cl)cc1)c1ccc(Br)cc1 |c:9| Show InChI InChI=1S/C25H18BrClN4O/c1-30-23-19-4-2-3-5-20(19)32-24(16-8-12-18(27)13-9-16)21(23)22(31-25(30)28-14-29-31)15-6-10-17(26)11-7-15/h2-14,22,24H,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Induction of p53 in human HCT116 cells coexpressing pp53TA-luc assessed as inhibition of cell proliferation after 8 hrs by firefly/renilla luciferase...				J Med Chem 52: 7044-53 (2009) Article DOI: 10.1021/jm900681h BindingDB Entry DOI: 10.7270/Q2ZK5GRQ
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 6/G1/S-specific cyclin-D3 (Homo sapiens (Human))	BDBM443114 (US10654831, Compound 8) Show SMILES CN1CC2(CCCCC2)N(C1=O)c1ccnc(Nc2ccc(cn2)N2CCN(C)CC2)n1 Show InChI InChI=1S/C23H32N8O/c1-28-12-14-30(15-13-28)18-6-7-19(25-16-18)26-21-24-11-8-20(27-21)31-22(32)29(2)17-23(31)9-4-3-5-10-23/h6-8,11,16H,3-5,9-10,12-15,17H2,1-2H3,(H,24,25,26,27)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.62E+4	n/a	n/a	n/a	n/a	n/a	n/a
G1 Therapeutics, Inc. US Patent					Assay Description Selected compounds disclosed herein were tested in CDK4/cyclinD1, CDK2/CycA and CDK2/cyclinE kinase assays to determine their inhibitory effect on th...				US Patent US10654831 (2020) BindingDB Entry DOI: 10.7270/Q2JS9TFP
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Homo sapiens (Human))	BDBM50136107 ((3-Fluoro-phenyl)-[6-(4-methanesulfonyl-phenyl)-be...) Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cc2OCOc2cc1C(=O)c1cccc(F)c1 Show InChI InChI=1S/C21H15FO5S/c1-28(24,25)16-7-5-13(6-8-16)17-10-19-20(27-12-26-19)11-18(17)21(23)14-3-2-4-15(22)9-14/h2-11H,12H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
NitroMed, Inc Curated by ChEMBL					Assay Description Compound was tested for the inhibition of human Prostaglandin G/H synthase 1 (COX-1) in human whole blood				J Med Chem 46: 5484-504 (2003) Article DOI: 10.1021/jm030268b BindingDB Entry DOI: 10.7270/Q2FX78WK
					More data for this Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM443119 (US10654831, Compound 32) Show SMILES CN1CCN(CC1)c1ccc(Nc2nccc(n2)N2CCNC(=O)C2)nc1 Show InChI InChI=1S/C18H24N8O/c1-24-8-10-25(11-9-24)14-2-3-15(21-12-14)22-18-20-5-4-16(23-18)26-7-6-19-17(27)13-26/h2-5,12H,6-11,13H2,1H3,(H,19,27)(H,20,21,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.29E+4	n/a	n/a	n/a	n/a	n/a	n/a
G1 Therapeutics, Inc. US Patent					Assay Description Selected compounds disclosed herein were tested in CDK4/cyclinD1, CDK2/CycA and CDK2/cyclinE kinase assays to determine their inhibitory effect on th...				US Patent US10654831 (2020) BindingDB Entry DOI: 10.7270/Q2JS9TFP
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM443121 (US10654831, Compound 46) Show SMILES CC(C)[C@H]1CNC(=O)N1c1ccnc(Nc2ccc(cn2)N2CCN(C)CC2)n1 |r| Show InChI InChI=1S/C20H28N8O/c1-14(2)16-13-23-20(29)28(16)18-6-7-21-19(25-18)24-17-5-4-15(12-22-17)27-10-8-26(3)9-11-27/h4-7,12,14,16H,8-11,13H2,1-3H3,(H,23,29)(H,21,22,24,25)/t16-/m1/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
G1 Therapeutics, Inc. US Patent					Assay Description Selected compounds disclosed herein were tested in CDK4/cyclinD1, CDK2/CycA and CDK2/cyclinE kinase assays to determine their inhibitory effect on th...				US Patent US10654831 (2020) BindingDB Entry DOI: 10.7270/Q2JS9TFP
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Homo sapiens (Human))	BDBM50136106 (4-(6-Benzyl-benzo[1,3]dioxol-5-yl)-benzenesulfonam...) Show SMILES NS(=O)(=O)c1ccc(cc1)-c1cc2OCOc2cc1Cc1ccccc1 Show InChI InChI=1S/C20H17NO4S/c21-26(22,23)17-8-6-15(7-9-17)18-12-20-19(24-13-25-20)11-16(18)10-14-4-2-1-3-5-14/h1-9,11-12H,10,13H2,(H2,21,22,23)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
NitroMed, Inc Curated by ChEMBL					Assay Description Compound was tested for the inhibition of recombinant human Prostaglandin G/H synthase 1 (COX-1)				J Med Chem 46: 5484-504 (2003) Article DOI: 10.1021/jm030268b BindingDB Entry DOI: 10.7270/Q2FX78WK
					More data for this Ligand-Target Pair
CDK-activating kinase assembly factor MAT1/Cyclin-H/Cyclin-dependent kinase 7 (Homo sapiens (Human))	BDBM443116 (US10654831, Compound 16) Show SMILES CN1CCN(CC1)c1ccc(Nc2nccc(n2)N2CCNC2=O)nc1 Show InChI InChI=1S/C17H22N8O/c1-23-8-10-24(11-9-23)13-2-3-14(20-12-13)21-16-18-5-4-15(22-16)25-7-6-19-17(25)26/h2-5,12H,6-11H2,1H3,(H,19,26)(H,18,20,21,22)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.94E+4	n/a	n/a	n/a	n/a	n/a	n/a
G1 Therapeutics, Inc. US Patent					Assay Description Selected compounds disclosed herein were tested in CDK4/cyclinD1, CDK2/CycA and CDK2/cyclinE kinase assays to determine their inhibitory effect on th...				US Patent US10654831 (2020) BindingDB Entry DOI: 10.7270/Q2JS9TFP
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 6/G1/S-specific cyclin-D3 (Homo sapiens (Human))	BDBM443126 (US10654831, Compound 56) Show SMILES CC[C@H]1CC(=O)NN1c1ccnc(Nc2ccc(cn2)N2CCN(C)CC2)n1 |r| Show InChI InChI=1S/C19H26N8O/c1-3-14-12-18(28)24-27(14)17-6-7-20-19(23-17)22-16-5-4-15(13-21-16)26-10-8-25(2)9-11-26/h4-7,13-14H,3,8-12H2,1-2H3,(H,24,28)(H,20,21,22,23)/t14-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
G1 Therapeutics, Inc. US Patent					Assay Description Selected compounds disclosed herein were tested in CDK4/cyclinD1, CDK2/CycA and CDK2/cyclinE kinase assays to determine their inhibitory effect on th...				US Patent US10654831 (2020) BindingDB Entry DOI: 10.7270/Q2JS9TFP
					More data for this Ligand-Target Pair
Cyclin-A2/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM443122 (US10654831, Compound 52) Show SMILES C[C@H]1CNC(=O)N1c1ccnc(Nc2ccc(cn2)N2CCN(C)CC2)n1 |r| Show InChI InChI=1S/C18H24N8O/c1-13-11-21-18(27)26(13)16-5-6-19-17(23-16)22-15-4-3-14(12-20-15)25-9-7-24(2)8-10-25/h3-6,12-13H,7-11H2,1-2H3,(H,21,27)(H,19,20,22,23)/t13-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.55E+4	n/a	n/a	n/a	n/a	n/a	n/a
G1 Therapeutics, Inc. US Patent					Assay Description Selected compounds disclosed herein were tested in CDK4/cyclinD1, CDK2/CycA and CDK2/cyclinE kinase assays to determine their inhibitory effect on th...				US Patent US10654831 (2020) BindingDB Entry DOI: 10.7270/Q2JS9TFP
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 6/G1/S-specific cyclin-D3 (Homo sapiens (Human))	BDBM443115 (US10654831, Compound 10) Show SMILES CN1CCN(CC1)c1ccc(Nc2nccc(n2)N2C(=O)N(Cc3ccccc3)CC22CCCCC2)nc1 Show InChI InChI=1S/C29H36N8O/c1-34-16-18-35(19-17-34)24-10-11-25(31-20-24)32-27-30-15-12-26(33-27)37-28(38)36(21-23-8-4-2-5-9-23)22-29(37)13-6-3-7-14-29/h2,4-5,8-12,15,20H,3,6-7,13-14,16-19,21-22H2,1H3,(H,30,31,32,33)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.58E+4	n/a	n/a	n/a	n/a	n/a	n/a
G1 Therapeutics, Inc. US Patent					Assay Description Selected compounds disclosed herein were tested in CDK4/cyclinD1, CDK2/CycA and CDK2/cyclinE kinase assays to determine their inhibitory effect on th...				US Patent US10654831 (2020) BindingDB Entry DOI: 10.7270/Q2JS9TFP
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 5 activator 1 (Homo sapiens (Human))	BDBM443117 (US10654831, Compound 20) Show SMILES CN1CCN(CC1)c1ccc(Nc2nccc(n2)N2CC(=O)NCC22CCCCC2)nc1 Show InChI InChI=1S/C23H32N8O/c1-29-11-13-30(14-12-29)18-5-6-19(25-15-18)27-22-24-10-7-20(28-22)31-16-21(32)26-17-23(31)8-3-2-4-9-23/h5-7,10,15H,2-4,8-9,11-14,16-17H2,1H3,(H,26,32)(H,24,25,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
G1 Therapeutics, Inc. US Patent					Assay Description Selected compounds disclosed herein were tested in CDK4/cyclinD1, CDK2/CycA and CDK2/cyclinE kinase assays to determine their inhibitory effect on th...				US Patent US10654831 (2020) BindingDB Entry DOI: 10.7270/Q2JS9TFP
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 5 activator 1 [99-307] (Homo sapiens (Human))	BDBM443117 (US10654831, Compound 20) Show SMILES CN1CCN(CC1)c1ccc(Nc2nccc(n2)N2CC(=O)NCC22CCCCC2)nc1 Show InChI InChI=1S/C23H32N8O/c1-29-11-13-30(14-12-29)18-5-6-19(25-15-18)27-22-24-10-7-20(28-22)31-16-21(32)26-17-23(31)8-3-2-4-9-23/h5-7,10,15H,2-4,8-9,11-14,16-17H2,1H3,(H,26,32)(H,24,25,27,28)	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	3.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
G1 Therapeutics, Inc. US Patent					Assay Description Selected compounds disclosed herein were tested in CDK4/cyclinD1, CDK2/CycA and CDK2/cyclinE kinase assays to determine their inhibitory effect on th...				US Patent US10654831 (2020) BindingDB Entry DOI: 10.7270/Q2JS9TFP
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Homo sapiens (Human))	BDBM22369 (4-(4-methanesulfonylphenyl)-3-phenyl-2,5-dihydrofu...) Show SMILES CS(=O)(=O)c1ccc(cc1)C1=C(C(=O)OC1)c1ccccc1 |t:11| Show InChI InChI=1S/C17H14O4S/c1-22(19,20)14-9-7-12(8-10-14)15-11-21-17(18)16(15)13-5-3-2-4-6-13/h2-10H,11H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	4.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
NitroMed, Inc Curated by ChEMBL					Assay Description Compound was tested for the inhibition of human Prostaglandin G/H synthase 1 (COX-1) in human whole blood				J Med Chem 46: 5484-504 (2003) Article DOI: 10.1021/jm030268b BindingDB Entry DOI: 10.7270/Q2FX78WK
					More data for this Ligand-Target Pair

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