Compile Data Set for Download or QSAR

Found 526 hits with Last Name = 'greff' and Initial = 'z'   

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
Hepatocyte growth factor receptor (Homo sapiens (Human))	BDBM50010383 (CHEMBL3263959) Show SMILES COc1cc2c(Oc3ccc(NC(=O)c4c(C)n(C)n(-c5ccccc5)c4=O)cc3F)ccnc2cc1OCCCN1CCN(C)CC1 Show InChI InChI=1S/C36H39FN6O5/c1-24-34(36(45)43(41(24)3)26-9-6-5-7-10-26)35(44)39-25-11-12-31(28(37)21-25)48-30-13-14-38-29-23-33(32(46-4)22-27(29)30)47-20-8-15-42-18-16-40(2)17-19-42/h5-7,9-14,21-23H,8,15-20H2,1-4H3,(H,39,44)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Vichem Chemie Research Ltd. Curated by ChEMBL					Assay Description Inhibition of recombinant c-MET (unknown origin) using poly-AEKY peptide as substrate after 60 mins by ADPGlo assay				ACS Med Chem Lett 5: 298-303 (2014) Article DOI: 10.1021/ml4003309 BindingDB Entry DOI: 10.7270/Q2HD7X6X
					More data for this Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM5655 (2-(2-chlorophenyl)-5,7-dihydroxy-8-[(3S,4R)-3-hydr...) Show SMILES CN1CC[C@@H]([C@H](O)C1)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1Cl |r| Show InChI InChI=1S/C21H20ClNO5/c1-23-7-6-12(17(27)10-23)19-14(24)8-15(25)20-16(26)9-18(28-21(19)20)11-4-2-3-5-13(11)22/h2-5,8-9,12,17,24-25,27H,6-7,10H2,1H3/t12-,17+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Vichem Chemie Ltd. Curated by ChEMBL					Assay Description Inhibition of CDK9/CycT1 (unknown origin)				J Med Chem 57: 3939-65 (2014) Article DOI: 10.1021/jm401742r BindingDB Entry DOI: 10.7270/Q28C9XRB
					More data for this Ligand-Target Pair				3D Structure (crystal)
Hepatocyte growth factor receptor (Homo sapiens (Human))	BDBM28031 (BMS-777607 | N-{4-[(2-amino-3-chloropyridin-4-yl)o...) Show SMILES CCOc1ccn(-c2ccc(F)cc2)c(=O)c1C(=O)Nc1ccc(Oc2ccnc(N)c2Cl)c(F)c1 Show InChI InChI=1S/C25H19ClF2N4O4/c1-2-35-19-10-12-32(16-6-3-14(27)4-7-16)25(34)21(19)24(33)31-15-5-8-18(17(28)13-15)36-20-9-11-30-23(29)22(20)26/h3-13H,2H2,1H3,(H2,29,30)(H,31,33)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Vichem Chemie Research Ltd. Curated by ChEMBL					Assay Description Inhibition of recombinant c-MET (unknown origin) using poly-AEKY peptide as substrate after 60 mins by ADPGlo assay				ACS Med Chem Lett 5: 298-303 (2014) Article DOI: 10.1021/ml4003309 BindingDB Entry DOI: 10.7270/Q2HD7X6X
					More data for this Ligand-Target Pair				3D Structure (crystal)
Hepatocyte growth factor receptor (Homo sapiens (Human))	BDBM50010382 (CHEMBL3263958) Show SMILES COc1cc2c(Oc3ccc(NC(=O)c4c(C)n(C)n(-c5ccccc5)c4=O)cc3F)ccnc2cc1OCCCN1CCOCC1 Show InChI InChI=1S/C35H36FN5O6/c1-23-33(35(43)41(39(23)2)25-8-5-4-6-9-25)34(42)38-24-10-11-30(27(36)20-24)47-29-12-13-37-28-22-32(31(44-3)21-26(28)29)46-17-7-14-40-15-18-45-19-16-40/h4-6,8-13,20-22H,7,14-19H2,1-3H3,(H,38,42)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Vichem Chemie Research Ltd. Curated by ChEMBL					Assay Description Inhibition of recombinant c-MET (unknown origin) using poly-AEKY peptide as substrate after 60 mins by ADPGlo assay				ACS Med Chem Lett 5: 298-303 (2014) Article DOI: 10.1021/ml4003309 BindingDB Entry DOI: 10.7270/Q2HD7X6X
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 8 (Homo sapiens (Human))	BDBM15978 (2-({2-[(3-hydroxyphenyl)amino]pyrimidin-4-yl}amino...) Show SMILES NC(=O)c1ccccc1Nc1ccnc(Nc2cccc(O)c2)n1 Show InChI InChI=1S/C17H15N5O2/c18-16(24)13-6-1-2-7-14(13)21-15-8-9-19-17(22-15)20-11-4-3-5-12(23)10-11/h1-10,23H,(H2,18,24)(H2,19,20,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE MMDB PC cid PC sid PDB UniChem Similars	DrugBank MMDB PDB Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Semmelweis University Curated by ChEMBL					Assay Description Inhibition of JNK1alpha1 (unknown origin)				Bioorg Med Chem Lett 26: 424-8 (2016) Article DOI: 10.1016/j.bmcl.2015.11.099 BindingDB Entry DOI: 10.7270/Q24T6M6J
					More data for this Ligand-Target Pair				3D Structure (crystal)
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM5446 (CHEMBL553 | ERLOTINIB HYDROCHLORIDE | Erlotinib | ...) Show SMILES COCCOc1cc2ncnc(Nc3cccc(c3)C#C)c2cc1OCCOC Show InChI InChI=1S/C22H23N3O4/c1-4-16-6-5-7-17(12-16)25-22-18-13-20(28-10-8-26-2)21(29-11-9-27-3)14-19(18)23-15-24-22/h1,5-7,12-15H,8-11H2,2-3H3,(H,23,24,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Vichem Chemie Research Ltd. Curated by ChEMBL					Assay Description Inhibition of recombinant EGFR (unknown origin) using poly-GT peptide as substrate by Transcreener assay				ACS Med Chem Lett 5: 298-303 (2014) Article DOI: 10.1021/ml4003309 BindingDB Entry DOI: 10.7270/Q2HD7X6X
					More data for this Ligand-Target Pair				3D Structure (crystal)
Insulin receptor (Homo sapiens (Human))	BDBM50315887 ((1s,3s)-3-(8-amino-1-(2-phenylquinolin-7-yl)imidaz...) Show SMILES C[C@@]1(O)C[C@@H](C1)c1nc(-c2ccc3ccc(nc3c2)-c2ccccc2)c2c(N)nccn12 |r,wU:1.1,4.6,wD:1.0,(18.42,-37.26,;17.1,-36.49,;16.31,-37.82,;17.79,-35.11,;16.41,-34.42,;15.72,-35.8,;15.93,-32.97,;16.83,-31.71,;15.91,-30.47,;16.38,-29.01,;15.35,-27.88,;15.81,-26.41,;17.32,-26.08,;17.78,-24.62,;19.27,-24.29,;20.31,-25.42,;19.85,-26.89,;18.35,-27.21,;17.89,-28.68,;21.81,-25.09,;22.85,-26.23,;24.35,-25.9,;24.82,-24.43,;23.77,-23.29,;22.27,-23.63,;14.45,-30.96,;13.11,-30.19,;13.11,-28.65,;11.78,-30.96,;11.78,-32.51,;13.12,-33.28,;14.46,-32.5,)| Show InChI InChI=1S/C26H23N5O/c1-26(32)14-19(15-26)25-30-22(23-24(27)28-11-12-31(23)25)18-8-7-17-9-10-20(29-21(17)13-18)16-5-3-2-4-6-16/h2-13,19,32H,14-15H2,1H3,(H2,27,28)/t19-,26+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Vichem Chemie Research Ltd. Curated by ChEMBL					Assay Description Inhibition of recombinant INSR (unknown origin) using fluorescent dye-labelled KKSRGDYMTMQIG peptide peptide as substrate after 1 hr by IMAP assay				ACS Med Chem Lett 5: 298-303 (2014) Article DOI: 10.1021/ml4003309 BindingDB Entry DOI: 10.7270/Q2HD7X6X
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 8 (Homo sapiens (Human))	BDBM15993 (2-({2-[(3-hydroxyphenyl)amino]pyrimidin-4-yl}amino...) Show SMILES OC(=O)c1ccccc1Nc1ccnc(Nc2cccc(O)c2)n1 Show InChI InChI=1S/C17H14N4O3/c22-12-5-3-4-11(10-12)19-17-18-9-8-15(21-17)20-14-7-2-1-6-13(14)16(23)24/h1-10,22H,(H,23,24)(H2,18,19,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
Semmelweis University Curated by ChEMBL					Assay Description Inhibition of JNK1alpha1 (unknown origin)				Bioorg Med Chem Lett 26: 424-8 (2016) Article DOI: 10.1016/j.bmcl.2015.11.099 BindingDB Entry DOI: 10.7270/Q24T6M6J
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 8 (Homo sapiens (Human))	BDBM15997 (2-({2-[(3-fluorophenyl)amino]pyrimidin-4-yl}amino)...) Show SMILES OC(=O)c1ccccc1Nc1ccnc(Nc2cccc(F)c2)n1 Show InChI InChI=1S/C17H13FN4O2/c18-11-4-3-5-12(10-11)20-17-19-9-8-15(22-17)21-14-7-2-1-6-13(14)16(23)24/h1-10H,(H,23,24)(H2,19,20,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a	n/a
Semmelweis University Curated by ChEMBL					Assay Description Inhibition of JNK1alpha1 (unknown origin)				Bioorg Med Chem Lett 26: 424-8 (2016) Article DOI: 10.1016/j.bmcl.2015.11.099 BindingDB Entry DOI: 10.7270/Q24T6M6J
					More data for this Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM50013509 (CHEMBL3263770) Show SMILES COc1ccccc1-c1cc(Nc2ccc(C)c(NS(C)(=O)=O)c2)ncn1 Show InChI InChI=1S/C19H20N4O3S/c1-13-8-9-14(10-16(13)23-27(3,24)25)22-19-11-17(20-12-21-19)15-6-4-5-7-18(15)26-2/h4-12,23H,1-3H3,(H,20,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Vichem Chemie Ltd. Curated by ChEMBL					Assay Description Inhibition of CDK9/CycT1 (unknown origin) expressed in HEK293 cells using GST-CTDII as substrate				J Med Chem 57: 3939-65 (2014) Article DOI: 10.1021/jm401742r BindingDB Entry DOI: 10.7270/Q28C9XRB
					More data for this Ligand-Target Pair
Insulin receptor (Homo sapiens (Human))	BDBM50010383 (CHEMBL3263959) Show SMILES COc1cc2c(Oc3ccc(NC(=O)c4c(C)n(C)n(-c5ccccc5)c4=O)cc3F)ccnc2cc1OCCCN1CCN(C)CC1 Show InChI InChI=1S/C36H39FN6O5/c1-24-34(36(45)43(41(24)3)26-9-6-5-7-10-26)35(44)39-25-11-12-31(28(37)21-25)48-30-13-14-38-29-23-33(32(46-4)22-27(29)30)47-20-8-15-42-18-16-40(2)17-19-42/h5-7,9-14,21-23H,8,15-20H2,1-4H3,(H,39,44)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	39	n/a	n/a	n/a	n/a	n/a	n/a
Vichem Chemie Research Ltd. Curated by ChEMBL					Assay Description Inhibition of recombinant INSR (unknown origin) using fluorescent dye-labelled KKSRGDYMTMQIG peptide peptide as substrate after 1 hr by IMAP assay				ACS Med Chem Lett 5: 298-303 (2014) Article DOI: 10.1021/ml4003309 BindingDB Entry DOI: 10.7270/Q2HD7X6X
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 8 (Homo sapiens (Human))	BDBM15993 (2-({2-[(3-hydroxyphenyl)amino]pyrimidin-4-yl}amino...) Show SMILES OC(=O)c1ccccc1Nc1ccnc(Nc2cccc(O)c2)n1 Show InChI InChI=1S/C17H14N4O3/c22-12-5-3-4-11(10-12)19-17-18-9-8-15(21-17)20-14-7-2-1-6-13(14)16(23)24/h1-10,22H,(H,23,24)(H2,18,19,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Semmelweis University Curated by ChEMBL					Assay Description Inhibition of JNK1 (unknown origin)				Bioorg Med Chem Lett 26: 424-8 (2016) Article DOI: 10.1016/j.bmcl.2015.11.099 BindingDB Entry DOI: 10.7270/Q24T6M6J
					More data for this Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM50013510 (CHEMBL3263773) Show SMILES COc1ccccc1-c1cc(Nc2cccc(CS(N)(=O)=O)c2)ncn1 Show InChI InChI=1S/C18H18N4O3S/c1-25-17-8-3-2-7-15(17)16-10-18(21-12-20-16)22-14-6-4-5-13(9-14)11-26(19,23)24/h2-10,12H,11H2,1H3,(H2,19,23,24)(H,20,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	44	n/a	n/a	n/a	n/a	n/a	n/a
Vichem Chemie Ltd. Curated by ChEMBL					Assay Description Inhibition of CDK9/CycT1 (unknown origin) using MBP peptide substrate after 1 hr by FRET-based LANCE assay				J Med Chem 57: 3939-65 (2014) Article DOI: 10.1021/jm401742r BindingDB Entry DOI: 10.7270/Q28C9XRB
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 8 (Homo sapiens (Human))	BDBM15997 (2-({2-[(3-fluorophenyl)amino]pyrimidin-4-yl}amino)...) Show SMILES OC(=O)c1ccccc1Nc1ccnc(Nc2cccc(F)c2)n1 Show InChI InChI=1S/C17H13FN4O2/c18-11-4-3-5-12(10-11)20-17-19-9-8-15(22-17)21-14-7-2-1-6-13(14)16(23)24/h1-10H,(H,23,24)(H2,19,20,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase 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
Semmelweis University Curated by ChEMBL					Assay Description Inhibition of JNK1 (unknown origin)				Bioorg Med Chem Lett 26: 424-8 (2016) Article DOI: 10.1016/j.bmcl.2015.11.099 BindingDB Entry DOI: 10.7270/Q24T6M6J
					More data for this Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM50013602 (CHEMBL3263772) Show SMILES COc1ccccc1-c1cc(Nc2cccc(c2)S(N)(=O)=O)ncn1 Show InChI InChI=1S/C17H16N4O3S/c1-24-16-8-3-2-7-14(16)15-10-17(20-11-19-15)21-12-5-4-6-13(9-12)25(18,22)23/h2-11H,1H3,(H2,18,22,23)(H,19,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	52	n/a	n/a	n/a	n/a	n/a	n/a
Vichem Chemie Ltd. Curated by ChEMBL					Assay Description Inhibition of CDK9/CycT1 (unknown origin) expressed in HEK293 cells using GST-CTDII as substrate				J Med Chem 57: 3939-65 (2014) Article DOI: 10.1021/jm401742r BindingDB Entry DOI: 10.7270/Q28C9XRB
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50010386 (CHEMBL3263962) Show SMILES COc1cc2c(Oc3ccc(NS(=O)(=O)c4cccc(c4)-c4cnn(C)c4)cc3F)ccnc2cc1OCCCN1CCN(C)CC1 Show InChI InChI=1S/C34H37FN6O5S/c1-39-13-15-41(16-14-39)12-5-17-45-34-21-30-28(20-33(34)44-3)31(10-11-36-30)46-32-9-8-26(19-29(32)35)38-47(42,43)27-7-4-6-24(18-27)25-22-37-40(2)23-25/h4,6-11,18-23,38H,5,12-17H2,1-3H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	84	n/a	n/a	n/a	n/a	n/a	n/a
Vichem Chemie Research Ltd. Curated by ChEMBL					Assay Description Inhibition of recombinant EGFR (unknown origin) using poly-GT peptide as substrate by Transcreener assay				ACS Med Chem Lett 5: 298-303 (2014) Article DOI: 10.1021/ml4003309 BindingDB Entry DOI: 10.7270/Q2HD7X6X
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50010388 (CHEMBL3263964) Show SMILES COc1cc2c(Oc3ccc(NS(=O)(=O)c4cccc(c4)-c4ccsc4)cc3F)ccnc2cc1OCCCN1CCN(C)CC1 Show InChI InChI=1S/C34H35FN4O5S2/c1-38-13-15-39(16-14-38)12-4-17-43-34-22-30-28(21-33(34)42-2)31(9-11-36-30)44-32-8-7-26(20-29(32)35)37-46(40,41)27-6-3-5-24(19-27)25-10-18-45-23-25/h3,5-11,18-23,37H,4,12-17H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	94	n/a	n/a	n/a	n/a	n/a	n/a
Vichem Chemie Research Ltd. Curated by ChEMBL					Assay Description Inhibition of recombinant EGFR (unknown origin) using poly-GT peptide as substrate by Transcreener assay				ACS Med Chem Lett 5: 298-303 (2014) Article DOI: 10.1021/ml4003309 BindingDB Entry DOI: 10.7270/Q2HD7X6X
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM316302 (5-[6-(2-Ethoxy-4-fluoro-phenyl)- pyrimidin-4-ylami...) Show SMILES CCOc1cc(F)ccc1-c1cc(Nc2ccc(OC)c(c2)C(N)=O)ncn1 Show InChI InChI=1S/C20H19FN4O3/c1-3-28-18-8-12(21)4-6-14(18)16-10-19(24-11-23-16)25-13-5-7-17(27-2)15(9-13)20(22)26/h4-11H,3H2,1-2H3,(H2,22,26)(H,23,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
VIROSTATICS SRL US Patent					Assay Description The activity of the compounds described in the present invention can be determined by measuring the phosphorylation of a fluorescently-labeled peptid...				US Patent US9617225 (2017) BindingDB Entry DOI: 10.7270/Q29W0HK6
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM7585 ((R,S)-Roscovitine | 2,6,9-Trisubstituted purine de...) Show SMILES CCC(CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1 Show InChI InChI=1S/C19H26N6O/c1-4-15(11-26)22-19-23-17(20-10-14-8-6-5-7-9-14)16-18(24-19)25(12-21-16)13(2)3/h5-9,12-13,15,26H,4,10-11H2,1-3H3,(H2,20,22,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
VIROSTATICS SRL US Patent					Assay Description The activity of the compounds described in the present invention can be determined by measuring the phosphorylation of a fluorescently-labeled peptid...				US Patent US9617225 (2017) BindingDB Entry DOI: 10.7270/Q29W0HK6
					More data for this Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM316174 (N-(3-((1H-benzo[d]imidazol-1-yl)methyl)-4-(4-methy...) Show SMILES COc1ccccc1-c1cc(Nc2ccc(N3CCN(C)CC3)c(Cn3cnc4ccccc34)c2)ncn1 Show InChI InChI=1S/C30H31N7O/c1-35-13-15-36(16-14-35)27-12-11-23(17-22(27)19-37-21-33-25-8-4-5-9-28(25)37)34-30-18-26(31-20-32-30)24-7-3-6-10-29(24)38-2/h3-12,17-18,20-21H,13-16,19H2,1-2H3,(H,31,32,34)	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	<100	n/a	n/a	n/a	n/a	n/a	n/a
GSK					Assay Description The activity of the compounds described in the present invention can be determined by measuring the phosphorylation of a fluorescently-labeled peptid...				Bioorg Med Chem Lett 18: 1022-6 (2008) BindingDB Entry DOI: 10.7270/Q2RB76X4
					More data for this Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM316176 (N-(2-methoxy-5-(6-(2-methoxyphenyl)pyrimidin-4-yla...) Show SMILES COc1ccc(Nc2cc(ncn2)-c2ccccc2OC)cc1CNS(C)(=O)=O Show InChI InChI=1S/C20H22N4O4S/c1-27-18-9-8-15(10-14(18)12-23-29(3,25)26)24-20-11-17(21-13-22-20)16-6-4-5-7-19(16)28-2/h4-11,13,23H,12H2,1-3H3,(H,21,22,24)	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	<100	n/a	n/a	n/a	n/a	n/a	n/a
GSK					Assay Description The activity of the compounds described in the present invention can be determined by measuring the phosphorylation of a fluorescently-labeled peptid...				Bioorg Med Chem Lett 18: 1022-6 (2008) BindingDB Entry DOI: 10.7270/Q2RB76X4
					More data for this Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM316179 (2-chloro-5-(6-(2-methoxyphenyl)pyrimidin-4-ylamino...) Show SMILES COc1ccccc1-c1cc(Nc2ccc(Cl)c(c2)C(=O)NN)ncn1 Show InChI InChI=1S/C18H16ClN5O2/c1-26-16-5-3-2-4-12(16)15-9-17(22-10-21-15)23-11-6-7-14(19)13(8-11)18(25)24-20/h2-10H,20H2,1H3,(H,24,25)(H,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	<100	n/a	n/a	n/a	n/a	n/a	n/a
GSK					Assay Description The activity of the compounds described in the present invention can be determined by measuring the phosphorylation of a fluorescently-labeled peptid...				Bioorg Med Chem Lett 18: 1022-6 (2008) BindingDB Entry DOI: 10.7270/Q2RB76X4
					More data for this Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM316181 (N-(2-methoxy-5-(6-(2-methoxyphenyl)pyrimidin-4-yla...) Show SMILES COc1ccc(Nc2cc(ncn2)-c2ccccc2OC)cc1NS(C)(=O)=O Show InChI InChI=1S/C19H20N4O4S/c1-26-17-7-5-4-6-14(17)15-11-19(21-12-20-15)22-13-8-9-18(27-2)16(10-13)23-28(3,24)25/h4-12,23H,1-3H3,(H,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	<100	n/a	n/a	n/a	n/a	n/a	n/a
GSK					Assay Description The activity of the compounds described in the present invention can be determined by measuring the phosphorylation of a fluorescently-labeled peptid...				Bioorg Med Chem Lett 18: 1022-6 (2008) BindingDB Entry DOI: 10.7270/Q2RB76X4
					More data for this Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM316182 ((2-methoxy-5-(6-(2-methoxyphenyl) pyrimidin-4-ylam...) Show SMILES CNS(=O)(=O)Nc1cc(Nc2cc(ncn2)-c2ccccc2OC)ccc1OC Show InChI InChI=1S/C19H21N5O4S/c1-20-29(25,26)24-16-10-13(8-9-18(16)28-3)23-19-11-15(21-12-22-19)14-6-4-5-7-17(14)27-2/h4-12,20,24H,1-3H3,(H,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	<100	n/a	n/a	n/a	n/a	n/a	n/a
GSK					Assay Description The activity of the compounds described in the present invention can be determined by measuring the phosphorylation of a fluorescently-labeled peptid...				Bioorg Med Chem Lett 18: 1022-6 (2008) BindingDB Entry DOI: 10.7270/Q2RB76X4
					More data for this Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM316188 (N-(3-((1H-benzo[d]imidazol-1- yl)methyl)-4-chlorop...) Show SMILES COc1ccccc1-c1cc(Nc2ccc(Cl)c(Cn3cnc4ccccc34)c2)ncn1 Show InChI InChI=1S/C25H20ClN5O/c1-32-24-9-5-2-6-19(24)22-13-25(28-15-27-22)30-18-10-11-20(26)17(12-18)14-31-16-29-21-7-3-4-8-23(21)31/h2-13,15-16H,14H2,1H3,(H,27,28,30)	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	<100	n/a	n/a	n/a	n/a	n/a	n/a
GSK					Assay Description The activity of the compounds described in the present invention can be determined by measuring the phosphorylation of a fluorescently-labeled peptid...				Bioorg Med Chem Lett 18: 1022-6 (2008) BindingDB Entry DOI: 10.7270/Q2RB76X4
					More data for this Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM316189 ((5-(6-(2-methoxyphenyl)pyrimidin-4-ylamino)-2-(4-m...) Show SMILES COc1ccccc1-c1cc(Nc2ccc(N3CCN(C)CC3)c(CO)c2)ncn1 Show InChI InChI=1S/C23H27N5O2/c1-27-9-11-28(12-10-27)21-8-7-18(13-17(21)15-29)26-23-14-20(24-16-25-23)19-5-3-4-6-22(19)30-2/h3-8,13-14,16,29H,9-12,15H2,1-2H3,(H,24,25,26)	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	<100	n/a	n/a	n/a	n/a	n/a	n/a
GSK					Assay Description The activity of the compounds described in the present invention can be determined by measuring the phosphorylation of a fluorescently-labeled peptid...				Bioorg Med Chem Lett 18: 1022-6 (2008) BindingDB Entry DOI: 10.7270/Q2RB76X4
					More data for this Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM316202 (US10294218, Example 30 | US9617225, Example 30 | m...) Show SMILES COC(=O)c1cc(Nc2cc(ncn2)-c2ccccc2OC)ccc1OC Show InChI InChI=1S/C20H19N3O4/c1-25-17-7-5-4-6-14(17)16-11-19(22-12-21-16)23-13-8-9-18(26-2)15(10-13)20(24)27-3/h4-12H,1-3H3,(H,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	<100	n/a	n/a	n/a	n/a	n/a	n/a
GSK					Assay Description The activity of the compounds described in the present invention can be determined by measuring the phosphorylation of a fluorescently-labeled peptid...				Bioorg Med Chem Lett 18: 1022-6 (2008) BindingDB Entry DOI: 10.7270/Q2RB76X4
					More data for this Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM316203 (N-(3-((1H-benzo[d]imidazol-1- yl)methyl)-4-methoxy...) Show SMILES COc1ccc(Nc2cc(ncn2)-c2ccccc2OC)cc1Cn1cnc2ccccc12 Show InChI InChI=1S/C26H23N5O2/c1-32-24-12-11-19(13-18(24)15-31-17-29-21-8-4-5-9-23(21)31)30-26-14-22(27-16-28-26)20-7-3-6-10-25(20)33-2/h3-14,16-17H,15H2,1-2H3,(H,27,28,30)	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	<100	n/a	n/a	n/a	n/a	n/a	n/a
GSK					Assay Description The activity of the compounds described in the present invention can be determined by measuring the phosphorylation of a fluorescently-labeled peptid...				Bioorg Med Chem Lett 18: 1022-6 (2008) BindingDB Entry DOI: 10.7270/Q2RB76X4
					More data for this Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM316204 (2-methoxy-5-(6-(2- methoxyphenyl)pyrimidin-4- ylam...) Show SMILES COc1ccc(Nc2cc(ncn2)-c2ccccc2OC)cc1O Show InChI InChI=1S/C18H17N3O3/c1-23-16-6-4-3-5-13(16)14-10-18(20-11-19-14)21-12-7-8-17(24-2)15(22)9-12/h3-11,22H,1-2H3,(H,19,20,21)	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	<100	n/a	n/a	n/a	n/a	n/a	n/a
GSK					Assay Description The activity of the compounds described in the present invention can be determined by measuring the phosphorylation of a fluorescently-labeled peptid...				Bioorg Med Chem Lett 18: 1022-6 (2008) BindingDB Entry DOI: 10.7270/Q2RB76X4
					More data for this Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM316205 (2-methoxy-5-(6-(2-methoxyphenyl)pyrimidin-4-ylamin...) Show SMILES COc1ccc(Nc2cc(ncn2)-c2ccccc2OC)cc1C(=O)NN Show InChI InChI=1S/C19H19N5O3/c1-26-16-6-4-3-5-13(16)15-10-18(22-11-21-15)23-12-7-8-17(27-2)14(9-12)19(25)24-20/h3-11H,20H2,1-2H3,(H,24,25)(H,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	<100	n/a	n/a	n/a	n/a	n/a	n/a
GSK					Assay Description The activity of the compounds described in the present invention can be determined by measuring the phosphorylation of a fluorescently-labeled peptid...				Bioorg Med Chem Lett 18: 1022-6 (2008) BindingDB Entry DOI: 10.7270/Q2RB76X4
					More data for this Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM316207 (N-(3-((dimethylamino)methyl)-4-methoxyphenyl)-6-(2...) Show SMILES COc1ccc(Nc2cc(ncn2)-c2ccccc2OC)cc1CN(C)C Show InChI InChI=1S/C21H24N4O2/c1-25(2)13-15-11-16(9-10-19(15)26-3)24-21-12-18(22-14-23-21)17-7-5-6-8-20(17)27-4/h5-12,14H,13H2,1-4H3,(H,22,23,24)	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	<100	n/a	n/a	n/a	n/a	n/a	n/a
GSK					Assay Description The activity of the compounds described in the present invention can be determined by measuring the phosphorylation of a fluorescently-labeled peptid...				Bioorg Med Chem Lett 18: 1022-6 (2008) BindingDB Entry DOI: 10.7270/Q2RB76X4
					More data for this Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM316209 (N-(4-methoxy-3-((methylamino)methyl)phenyl)-6-(2-m...) Show SMILES CNCc1cc(Nc2cc(ncn2)-c2ccccc2OC)ccc1OC Show InChI InChI=1S/C20H22N4O2/c1-21-12-14-10-15(8-9-18(14)25-2)24-20-11-17(22-13-23-20)16-6-4-5-7-19(16)26-3/h4-11,13,21H,12H2,1-3H3,(H,22,23,24)	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	<100	n/a	n/a	n/a	n/a	n/a	n/a
GSK					Assay Description The activity of the compounds described in the present invention can be determined by measuring the phosphorylation of a fluorescently-labeled peptid...				Bioorg Med Chem Lett 18: 1022-6 (2008) BindingDB Entry DOI: 10.7270/Q2RB76X4
					More data for this Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM316210 (5-(6-(2-methoxyphenyl)pyrimidin-4-ylamino)-2-(4-me...) Show SMILES COc1ccccc1-c1cc(Nc2ccc(N3CCN(C)CC3)c(c2)S(N)(=O)=O)ncn1 Show InChI InChI=1S/C22H26N6O3S/c1-27-9-11-28(12-10-27)19-8-7-16(13-21(19)32(23,29)30)26-22-14-18(24-15-25-22)17-5-3-4-6-20(17)31-2/h3-8,13-15H,9-12H2,1-2H3,(H2,23,29,30)(H,24,25,26)	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	<100	n/a	n/a	n/a	n/a	n/a	n/a
GSK					Assay Description The activity of the compounds described in the present invention can be determined by measuring the phosphorylation of a fluorescently-labeled peptid...				Bioorg Med Chem Lett 18: 1022-6 (2008) BindingDB Entry DOI: 10.7270/Q2RB76X4
					More data for this Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM316211 (N-(3-((1H-benzo[d]imidazol-1-yl)methyl)-4-ethoxyph...) Show SMILES CCOc1ccc(Nc2cc(ncn2)-c2ccccc2OC)cc1Cn1cnc2ccccc12 Show InChI InChI=1S/C27H25N5O2/c1-3-34-25-13-12-20(14-19(25)16-32-18-30-22-9-5-6-10-24(22)32)31-27-15-23(28-17-29-27)21-8-4-7-11-26(21)33-2/h4-15,17-18H,3,16H2,1-2H3,(H,28,29,31)	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	<100	n/a	n/a	n/a	n/a	n/a	n/a
GSK					Assay Description The activity of the compounds described in the present invention can be determined by measuring the phosphorylation of a fluorescently-labeled peptid...				Bioorg Med Chem Lett 18: 1022-6 (2008) BindingDB Entry DOI: 10.7270/Q2RB76X4
					More data for this Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM316212 (N-(3-((1H-benzo[d]imidazol-1-yl)methyl)-4-fluoroph...) Show SMILES COc1ccccc1-c1cc(Nc2ccc(F)c(Cn3cnc4ccccc34)c2)ncn1 Show InChI InChI=1S/C25H20FN5O/c1-32-24-9-5-2-6-19(24)22-13-25(28-15-27-22)30-18-10-11-20(26)17(12-18)14-31-16-29-21-7-3-4-8-23(21)31/h2-13,15-16H,14H2,1H3,(H,27,28,30)	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	<100	n/a	n/a	n/a	n/a	n/a	n/a
GSK					Assay Description The activity of the compounds described in the present invention can be determined by measuring the phosphorylation of a fluorescently-labeled peptid...				Bioorg Med Chem Lett 18: 1022-6 (2008) BindingDB Entry DOI: 10.7270/Q2RB76X4
					More data for this Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM316217 (2-methoxy-5-(6-(2- methoxyphenyl)pyrimidin-4- ylam...) Show SMILES COc1ccc(Nc2cc(ncn2)-c2ccccc2OC)cc1C(N)=O |$;;;;;;HN;;;;;;;;;;;;;;;;;;;$| Show InChI InChI=1S/C19H18N4O3/c1-25-16-6-4-3-5-13(16)15-10-18(22-11-21-15)23-12-7-8-17(26-2)14(9-12)19(20)24/h3-11H,1-2H3,(H2,20,24)(H,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	<100	n/a	n/a	n/a	n/a	n/a	n/a
GSK					Assay Description The activity of the compounds described in the present invention can be determined by measuring the phosphorylation of a fluorescently-labeled peptid...				Bioorg Med Chem Lett 18: 1022-6 (2008) BindingDB Entry DOI: 10.7270/Q2RB76X4
					More data for this Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM316227 (N-{2-Methoxy-5-[6-(2-methoxy-phenyl)-pyrimidin-4-y...) Show SMILES COc1ccc(Nc2cc(ncn2)-c2ccccc2OC)cc1NC=O Show InChI InChI=1S/C19H18N4O3/c1-25-17-6-4-3-5-14(17)15-10-19(21-11-20-15)23-13-7-8-18(26-2)16(9-13)22-12-24/h3-12H,1-2H3,(H,22,24)(H,20,21,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
GSK					Assay Description The activity of the compounds described in the present invention can be determined by measuring the phosphorylation of a fluorescently-labeled peptid...				Bioorg Med Chem Lett 18: 1022-6 (2008) BindingDB Entry DOI: 10.7270/Q2RB76X4
					More data for this Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM316285 (2-Dimethylamino-5-[6-(4-fluoro-2-methoxy-phenyl)-p...) Show SMILES COc1cc(F)ccc1-c1cc(Nc2ccc(N(C)C)c(c2)C(N)=O)ncn1 Show InChI InChI=1S/C20H20FN5O2/c1-26(2)17-7-5-13(9-15(17)20(22)27)25-19-10-16(23-11-24-19)14-6-4-12(21)8-18(14)28-3/h4-11H,1-3H3,(H2,22,27)(H,23,24,25)	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	<100	n/a	n/a	n/a	n/a	n/a	n/a
GSK					Assay Description The activity of the compounds described in the present invention can be determined by measuring the phosphorylation of a fluorescently-labeled peptid...				Bioorg Med Chem Lett 18: 1022-6 (2008) BindingDB Entry DOI: 10.7270/Q2RB76X4
					More data for this Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM316288 (US10294218, Example 116 | US9617225, Example 116 |...) Show SMILES COc1ccccc1-c1cc(Nc2ccc(OC)c(c2)C2=CCNCC2)ncn1 |t:22| Show InChI InChI=1S/C23H24N4O2/c1-28-21-6-4-3-5-18(21)20-14-23(26-15-25-20)27-17-7-8-22(29-2)19(13-17)16-9-11-24-12-10-16/h3-9,13-15,24H,10-12H2,1-2H3,(H,25,26,27)	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	<100	n/a	n/a	n/a	n/a	n/a	n/a
GSK					Assay Description The activity of the compounds described in the present invention can be determined by measuring the phosphorylation of a fluorescently-labeled peptid...				Bioorg Med Chem Lett 18: 1022-6 (2008) BindingDB Entry DOI: 10.7270/Q2RB76X4
					More data for this Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM316293 (2-Methoxy-4-[6-(2-methoxy-phenyl)-pyrimidin-4-ylam...) Show SMILES COc1cc(Nc2cc(ncn2)-c2ccccc2OC)ccc1O Show InChI InChI=1S/C18H17N3O3/c1-23-16-6-4-3-5-13(16)14-10-18(20-11-19-14)21-12-7-8-15(22)17(9-12)24-2/h3-11,22H,1-2H3,(H,19,20,21)	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	<100	n/a	n/a	n/a	n/a	n/a	n/a
GSK					Assay Description The activity of the compounds described in the present invention can be determined by measuring the phosphorylation of a fluorescently-labeled peptid...				Bioorg Med Chem Lett 18: 1022-6 (2008) BindingDB Entry DOI: 10.7270/Q2RB76X4
					More data for this Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM316301 (5-[6-(2-Ethoxy-phenyl)-pyrimidin-4- ylamino]-2-met...) Show SMILES CCOc1ccccc1-c1cc(Nc2ccc(OC)c(c2)C(N)=O)ncn1 Show InChI InChI=1S/C20H20N4O3/c1-3-27-18-7-5-4-6-14(18)16-11-19(23-12-22-16)24-13-8-9-17(26-2)15(10-13)20(21)25/h4-12H,3H2,1-2H3,(H2,21,25)(H,22,23,24)	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	<100	n/a	n/a	n/a	n/a	n/a	n/a
GSK					Assay Description The activity of the compounds described in the present invention can be determined by measuring the phosphorylation of a fluorescently-labeled peptid...				Bioorg Med Chem Lett 18: 1022-6 (2008) BindingDB Entry DOI: 10.7270/Q2RB76X4
					More data for this Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM316302 (5-[6-(2-Ethoxy-4-fluoro-phenyl)- pyrimidin-4-ylami...) Show SMILES CCOc1cc(F)ccc1-c1cc(Nc2ccc(OC)c(c2)C(N)=O)ncn1 Show InChI InChI=1S/C20H19FN4O3/c1-3-28-18-8-12(21)4-6-14(18)16-10-19(24-11-23-16)25-13-5-7-17(27-2)15(9-13)20(22)26/h4-11H,3H2,1-2H3,(H2,22,26)(H,23,24,25)	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	<100	n/a	n/a	n/a	n/a	n/a	n/a
GSK					Assay Description The activity of the compounds described in the present invention can be determined by measuring the phosphorylation of a fluorescently-labeled peptid...				Bioorg Med Chem Lett 18: 1022-6 (2008) BindingDB Entry DOI: 10.7270/Q2RB76X4
					More data for this Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM7585 ((R,S)-Roscovitine | 2,6,9-Trisubstituted purine de...) Show SMILES CCC(CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1 Show InChI InChI=1S/C19H26N6O/c1-4-15(11-26)22-19-23-17(20-10-14-8-6-5-7-9-14)16-18(24-19)25(12-21-16)13(2)3/h5-9,12-13,15,26H,4,10-11H2,1-3H3,(H2,20,22,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
GSK					Assay Description The activity of the compounds described in the present invention can be determined by measuring the phosphorylation of a fluorescently-labeled peptid...				Bioorg Med Chem Lett 18: 1022-6 (2008) BindingDB Entry DOI: 10.7270/Q2RB76X4
					More data for this Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM5655 (2-(2-chlorophenyl)-5,7-dihydroxy-8-[(3S,4R)-3-hydr...) Show SMILES CN1CC[C@@H]([C@H](O)C1)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1Cl |r| Show InChI InChI=1S/C21H20ClNO5/c1-23-7-6-12(17(27)10-23)19-14(24)8-15(25)20-16(26)9-18(28-21(19)20)11-4-2-3-5-13(11)22/h2-5,8-9,12,17,24-25,27H,6-7,10H2,1H3/t12-,17+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
GSK					Assay Description The activity of the compounds described in the present invention can be determined by measuring the phosphorylation of a fluorescently-labeled peptid...				Bioorg Med Chem Lett 18: 1022-6 (2008) BindingDB Entry DOI: 10.7270/Q2RB76X4
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM316203 (N-(3-((1H-benzo[d]imidazol-1- yl)methyl)-4-methoxy...) Show SMILES COc1ccc(Nc2cc(ncn2)-c2ccccc2OC)cc1Cn1cnc2ccccc12 Show InChI InChI=1S/C26H23N5O2/c1-32-24-12-11-19(13-18(24)15-31-17-29-21-8-4-5-9-23(21)31)30-26-14-22(27-16-28-26)20-7-3-6-10-25(20)33-2/h3-14,16-17H,15H2,1-2H3,(H,27,28,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
VIROSTATICS SRL US Patent					Assay Description The activity of the compounds described in the present invention can be determined by measuring the phosphorylation of a fluorescently-labeled peptid...				US Patent US9617225 (2017) BindingDB Entry DOI: 10.7270/Q29W0HK6
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM316217 (2-methoxy-5-(6-(2- methoxyphenyl)pyrimidin-4- ylam...) Show SMILES COc1ccc(Nc2cc(ncn2)-c2ccccc2OC)cc1C(N)=O |$;;;;;;HN;;;;;;;;;;;;;;;;;;;$| Show InChI InChI=1S/C19H18N4O3/c1-25-16-6-4-3-5-13(16)15-10-18(22-11-21-15)23-12-7-8-17(26-2)14(9-12)19(20)24/h3-11H,1-2H3,(H2,20,24)(H,21,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
VIROSTATICS SRL US Patent					Assay Description The activity of the compounds described in the present invention can be determined by measuring the phosphorylation of a fluorescently-labeled peptid...				US Patent US9617225 (2017) BindingDB Entry DOI: 10.7270/Q29W0HK6
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM5655 (2-(2-chlorophenyl)-5,7-dihydroxy-8-[(3S,4R)-3-hydr...) Show SMILES CN1CC[C@@H]([C@H](O)C1)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1Cl |r| Show InChI InChI=1S/C21H20ClNO5/c1-23-7-6-12(17(27)10-23)19-14(24)8-15(25)20-16(26)9-18(28-21(19)20)11-4-2-3-5-13(11)22/h2-5,8-9,12,17,24-25,27H,6-7,10H2,1H3/t12-,17+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
VIROSTATICS SRL US Patent					Assay Description The activity of the compounds described in the present invention can be determined by measuring the phosphorylation of a fluorescently-labeled peptid...				US Patent US9617225 (2017) BindingDB Entry DOI: 10.7270/Q29W0HK6
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM316174 (N-(3-((1H-benzo[d]imidazol-1-yl)methyl)-4-(4-methy...) Show SMILES COc1ccccc1-c1cc(Nc2ccc(N3CCN(C)CC3)c(Cn3cnc4ccccc34)c2)ncn1 Show InChI InChI=1S/C30H31N7O/c1-35-13-15-36(16-14-35)27-12-11-23(17-22(27)19-37-21-33-25-8-4-5-9-28(25)37)34-30-18-26(31-20-32-30)24-7-3-6-10-29(24)38-2/h3-12,17-18,20-21H,13-16,19H2,1-2H3,(H,31,32,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
VIROSTATICS SRL US Patent					Assay Description The activity of the compounds described in the present invention can be determined by measuring the phosphorylation of a fluorescently-labeled peptid...				US Patent US9617225 (2017) BindingDB Entry DOI: 10.7270/Q29W0HK6
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM316176 (N-(2-methoxy-5-(6-(2-methoxyphenyl)pyrimidin-4-yla...) Show SMILES COc1ccc(Nc2cc(ncn2)-c2ccccc2OC)cc1CNS(C)(=O)=O Show InChI InChI=1S/C20H22N4O4S/c1-27-18-9-8-15(10-14(18)12-23-29(3,25)26)24-20-11-17(21-13-22-20)16-6-4-5-7-19(16)28-2/h4-11,13,23H,12H2,1-3H3,(H,21,22,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
VIROSTATICS SRL US Patent					Assay Description The activity of the compounds described in the present invention can be determined by measuring the phosphorylation of a fluorescently-labeled peptid...				US Patent US9617225 (2017) BindingDB Entry DOI: 10.7270/Q29W0HK6
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM316179 (2-chloro-5-(6-(2-methoxyphenyl)pyrimidin-4-ylamino...) Show SMILES COc1ccccc1-c1cc(Nc2ccc(Cl)c(c2)C(=O)NN)ncn1 Show InChI InChI=1S/C18H16ClN5O2/c1-26-16-5-3-2-4-12(16)15-9-17(22-10-21-15)23-11-6-7-14(19)13(8-11)18(25)24-20/h2-10H,20H2,1H3,(H,24,25)(H,21,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
VIROSTATICS SRL US Patent					Assay Description The activity of the compounds described in the present invention can be determined by measuring the phosphorylation of a fluorescently-labeled peptid...				US Patent US9617225 (2017) BindingDB Entry DOI: 10.7270/Q29W0HK6
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 526 total )  |  Next  |  Last  >>

Jump to: