Compile Data Set for Download or QSAR

Found 372 hits with Last Name = 'solinas' and Initial = 'a'   

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
Smoothened homolog (Homo sapiens (Human))	BDBM50383031 (CHEMBL2031290) Show SMILES COc1cc(cc(OC)c1OC)C(=O)NC(N)=Nc1ccc(C)c(NC(=O)c2ccc(cc2)-c2ccccc2)c1 |w:17.18| Show InChI InChI=1S/C31H30N4O5/c1-19-10-15-24(33-31(32)35-30(37)23-16-26(38-2)28(40-4)27(17-23)39-3)18-25(19)34-29(36)22-13-11-21(12-14-22)20-8-6-5-7-9-20/h5-18H,1-4H3,(H,34,36)(H3,32,33,35,37)	PDB 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
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description Displacement of BODIPY-labelled cyclopamine from human Smo receptor expressed in HEK293 cells after 2 hrs by fluorescence microscopy				J Med Chem 55: 1559-71 (2012) Article DOI: 10.1021/jm2013369 BindingDB Entry DOI: 10.7270/Q24B32BR
					More data for this Ligand-Target Pair
Smoothened homolog (Homo sapiens (Human))	BDBM50249522 (2-chloro-N-(4-chloro-3-(pyridin-2-yl)phenyl)-4-(me...) Show SMILES CS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(c2)-c2ccccn2)c(Cl)c1 Show InChI InChI=1S/C19H14Cl2N2O3S/c1-27(25,26)13-6-7-14(17(21)11-13)19(24)23-12-5-8-16(20)15(10-12)18-4-2-3-9-22-18/h2-11H,1H3,(H,23,24)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description Displacement of BODIPY-labelled cyclopamine from human Smo receptor expressed in HEK293 cells after 2 hrs by fluorescence microscopy				J Med Chem 55: 1559-71 (2012) Article DOI: 10.1021/jm2013369 BindingDB Entry DOI: 10.7270/Q24B32BR
					More data for this Ligand-Target Pair				3D Structure (crystal)
Smoothened homolog (Homo sapiens (Human))	BDBM50249522 (2-chloro-N-(4-chloro-3-(pyridin-2-yl)phenyl)-4-(me...) Show SMILES CS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(c2)-c2ccccn2)c(Cl)c1 Show InChI InChI=1S/C19H14Cl2N2O3S/c1-27(25,26)13-6-7-14(17(21)11-13)19(24)23-12-5-8-16(20)15(10-12)18-4-2-3-9-22-18/h2-11H,1H3,(H,23,24)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description Inhibition of Smo-mediated Hh signaling in human Shh-light2 cells by luciferase reporter gene assay				J Med Chem 55: 1559-71 (2012) Article DOI: 10.1021/jm2013369 BindingDB Entry DOI: 10.7270/Q24B32BR
					More data for this Ligand-Target Pair				3D Structure (crystal)
Smoothened homolog (Homo sapiens (Human))	BDBM50383020 (CHEMBL2031277) Show SMILES COc1cc(cc(OC)c1OC)C(=O)NC(=O)Nc1ccc(C)c(NC(=O)c2ccc(cc2)-c2ccccc2)c1 Show InChI InChI=1S/C31H29N3O6/c1-19-10-15-24(32-31(37)34-30(36)23-16-26(38-2)28(40-4)27(17-23)39-3)18-25(19)33-29(35)22-13-11-21(12-14-22)20-8-6-5-7-9-20/h5-18H,1-4H3,(H,33,35)(H2,32,34,36,37)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description Inhibition of Smo-mediated Hh signaling in human Shh-light2 cells by luciferase reporter gene assay				J Med Chem 55: 1559-71 (2012) Article DOI: 10.1021/jm2013369 BindingDB Entry DOI: 10.7270/Q24B32BR
					More data for this Ligand-Target Pair
Smoothened homolog (Homo sapiens (Human))	BDBM50383029 (CHEMBL2031288) Show SMILES COc1cc(cc(OC)c1OC)C(=O)NC(N)=Nc1ccc(C)c(NC(=O)c2ccc(cc2)-c2ccc(F)cc2)c1 |w:17.18| Show InChI InChI=1S/C31H29FN4O5/c1-18-5-14-24(34-31(33)36-30(38)22-15-26(39-2)28(41-4)27(16-22)40-3)17-25(18)35-29(37)21-8-6-19(7-9-21)20-10-12-23(32)13-11-20/h5-17H,1-4H3,(H,35,37)(H3,33,34,36,38)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description Inhibition of Smo-mediated Hh signaling in human Shh-light2 cells by luciferase reporter gene assay				J Med Chem 55: 1559-71 (2012) Article DOI: 10.1021/jm2013369 BindingDB Entry DOI: 10.7270/Q24B32BR
					More data for this Ligand-Target Pair
Smoothened homolog (Homo sapiens (Human))	BDBM50383031 (CHEMBL2031290) Show SMILES COc1cc(cc(OC)c1OC)C(=O)NC(N)=Nc1ccc(C)c(NC(=O)c2ccc(cc2)-c2ccccc2)c1 |w:17.18| Show InChI InChI=1S/C31H30N4O5/c1-19-10-15-24(33-31(32)35-30(37)23-16-26(38-2)28(40-4)27(17-23)39-3)18-25(19)34-29(36)22-13-11-21(12-14-22)20-8-6-5-7-9-20/h5-18H,1-4H3,(H,34,36)(H3,32,33,35,37)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description Inhibition of Smo-mediated Hh signaling in human Shh-light2 cells by luciferase reporter gene assay				J Med Chem 55: 1559-71 (2012) Article DOI: 10.1021/jm2013369 BindingDB Entry DOI: 10.7270/Q24B32BR
					More data for this Ligand-Target Pair
Smoothened homolog (Homo sapiens (Human))	BDBM50383020 (CHEMBL2031277) Show SMILES COc1cc(cc(OC)c1OC)C(=O)NC(=O)Nc1ccc(C)c(NC(=O)c2ccc(cc2)-c2ccccc2)c1 Show InChI InChI=1S/C31H29N3O6/c1-19-10-15-24(32-31(37)34-30(36)23-16-26(38-2)28(40-4)27(17-23)39-3)18-25(19)33-29(35)22-13-11-21(12-14-22)20-8-6-5-7-9-20/h5-18H,1-4H3,(H,33,35)(H2,32,34,36,37)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description Displacement of BODIPY-labelled cyclopamine from human Smo receptor expressed in HEK293 cells after 2 hrs by fluorescence microscopy				J Med Chem 55: 1559-71 (2012) Article DOI: 10.1021/jm2013369 BindingDB Entry DOI: 10.7270/Q24B32BR
					More data for this Ligand-Target Pair
Smoothened homolog (Homo sapiens (Human))	BDBM50383015 (CHEMBL2031263) Show SMILES COc1cc(cc(OC)c1OC)C(=O)NC(=S)Nc1ccc(C)c(NC(=O)c2ccc(cc2)-c2ccc(F)cc2)c1 Show InChI InChI=1S/C31H28FN3O5S/c1-18-5-14-24(33-31(41)35-30(37)22-15-26(38-2)28(40-4)27(16-22)39-3)17-25(18)34-29(36)21-8-6-19(7-9-21)20-10-12-23(32)13-11-20/h5-17H,1-4H3,(H,34,36)(H2,33,35,37,41)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description Inhibition of Smo-mediated Hh signaling in human Shh-light2 cells by luciferase reporter gene assay				J Med Chem 55: 1559-71 (2012) Article DOI: 10.1021/jm2013369 BindingDB Entry DOI: 10.7270/Q24B32BR
					More data for this Ligand-Target Pair
Smoothened homolog (Homo sapiens (Human))	BDBM50383028 (CHEMBL2031287) Show SMILES COc1cc(cc(OC)c1OC)C(=O)NC(N)=Nc1cccc(NC(=O)c2ccc(cc2)-c2ccc(F)cc2)c1 |w:17.18| Show InChI InChI=1S/C30H27FN4O5/c1-38-25-15-21(16-26(39-2)27(25)40-3)29(37)35-30(32)34-24-6-4-5-23(17-24)33-28(36)20-9-7-18(8-10-20)19-11-13-22(31)14-12-19/h4-17H,1-3H3,(H,33,36)(H3,32,34,35,37)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	33	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description Inhibition of Smo-mediated Hh signaling in human Shh-light2 cells by luciferase reporter gene assay				J Med Chem 55: 1559-71 (2012) Article DOI: 10.1021/jm2013369 BindingDB Entry DOI: 10.7270/Q24B32BR
					More data for this Ligand-Target Pair
Smoothened homolog (Homo sapiens (Human))	BDBM50383016 (CHEMBL2031268) Show SMILES COc1cc(cc(OC)c1OC)C(=O)NC(=S)Nc1ccc(C)c(NC(=O)c2ccc(cc2)-c2ccccc2)c1 Show InChI InChI=1S/C31H29N3O5S/c1-19-10-15-24(32-31(40)34-30(36)23-16-26(37-2)28(39-4)27(17-23)38-3)18-25(19)33-29(35)22-13-11-21(12-14-22)20-8-6-5-7-9-20/h5-18H,1-4H3,(H,33,35)(H2,32,34,36,40)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	41	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description Inhibition of Smo-mediated Hh signaling in human Shh-light2 cells by luciferase reporter gene assay				J Med Chem 55: 1559-71 (2012) Article DOI: 10.1021/jm2013369 BindingDB Entry DOI: 10.7270/Q24B32BR
					More data for this Ligand-Target Pair
Smoothened homolog (Homo sapiens (Human))	BDBM50383016 (CHEMBL2031268) Show SMILES COc1cc(cc(OC)c1OC)C(=O)NC(=S)Nc1ccc(C)c(NC(=O)c2ccc(cc2)-c2ccccc2)c1 Show InChI InChI=1S/C31H29N3O5S/c1-19-10-15-24(32-31(40)34-30(36)23-16-26(37-2)28(39-4)27(17-23)38-3)18-25(19)33-29(35)22-13-11-21(12-14-22)20-8-6-5-7-9-20/h5-18H,1-4H3,(H,33,35)(H2,32,34,36,40)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	63	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description Displacement of BODIPY-labelled cyclopamine from human Smo receptor expressed in HEK293 cells after 2 hrs by fluorescence microscopy				J Med Chem 55: 1559-71 (2012) Article DOI: 10.1021/jm2013369 BindingDB Entry DOI: 10.7270/Q24B32BR
					More data for this Ligand-Target Pair
Smoothened homolog (Homo sapiens (Human))	BDBM50232973 (CHEMBL254129 | CYCLOPAMINE) Show SMILES C[C@@H]1[C@@H]2NC[C@@H](C)C[C@H]2O[C@]11CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC2=C1C |r,c:32,t:18| Show InChI InChI=1S/C27H41NO2/c1-15-11-24-25(28-14-15)17(3)27(30-24)10-8-20-21-6-5-18-12-19(29)7-9-26(18,4)23(21)13-22(20)16(27)2/h5,15,17,19-21,23-25,28-29H,6-14H2,1-4H3/t15-,17+,19-,20-,21-,23-,24+,25-,26-,27-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	64	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description Displacement of BODIPY-labelled cyclopamine from human Smo receptor expressed in HEK293 cells after 2 hrs by fluorescence microscopy				J Med Chem 55: 1559-71 (2012) Article DOI: 10.1021/jm2013369 BindingDB Entry DOI: 10.7270/Q24B32BR
					More data for this Ligand-Target Pair				3D Structure (crystal)
Smoothened homolog (Homo sapiens (Human))	BDBM50383024 (CHEMBL2031283) Show SMILES COc1cc(cc(OC)c1OC)C(=O)NC(N)=Nc1cccc(c1)-c1cc2ccccc2[nH]1 |w:17.18| Show InChI InChI=1S/C25H24N4O4/c1-31-21-13-17(14-22(32-2)23(21)33-3)24(30)29-25(26)27-18-9-6-8-15(11-18)20-12-16-7-4-5-10-19(16)28-20/h4-14,28H,1-3H3,(H3,26,27,29,30)	PDB 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
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description Inhibition of Smo-mediated Hh signaling in human Shh-light2 cells by luciferase reporter gene assay				J Med Chem 55: 1559-71 (2012) Article DOI: 10.1021/jm2013369 BindingDB Entry DOI: 10.7270/Q24B32BR
					More data for this Ligand-Target Pair
Smoothened homolog (Homo sapiens (Human))	BDBM50383030 (CHEMBL2031289) Show SMILES COc1cc(cc(OC)c1OC)C(=O)NC(N)=Nc1ccc(Cl)c(NC(=O)c2ccc(cc2)-c2ccccc2)c1 |w:17.18| Show InChI InChI=1S/C30H27ClN4O5/c1-38-25-15-21(16-26(39-2)27(25)40-3)29(37)35-30(32)33-22-13-14-23(31)24(17-22)34-28(36)20-11-9-19(10-12-20)18-7-5-4-6-8-18/h4-17H,1-3H3,(H,34,36)(H3,32,33,35,37)	PDB 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
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description Inhibition of Smo-mediated Hh signaling in human Shh-light2 cells by luciferase reporter gene assay				J Med Chem 55: 1559-71 (2012) Article DOI: 10.1021/jm2013369 BindingDB Entry DOI: 10.7270/Q24B32BR
					More data for this Ligand-Target Pair
Smoothened homolog (Homo sapiens (Human))	BDBM50383022 (CHEMBL2031077) Show SMILES COc1cc(cc(OC)c1OC)C(=O)NC(=O)Nc1ccc(Cl)c(NC(=O)c2ccc(cc2)-c2ccccc2)c1 Show InChI InChI=1S/C30H26ClN3O6/c1-38-25-15-21(16-26(39-2)27(25)40-3)29(36)34-30(37)32-22-13-14-23(31)24(17-22)33-28(35)20-11-9-19(10-12-20)18-7-5-4-6-8-18/h4-17H,1-3H3,(H,33,35)(H2,32,34,36,37)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description Inhibition of Smo-mediated Hh signaling in human Shh-light2 cells by luciferase reporter gene assay				J Med Chem 55: 1559-71 (2012) Article DOI: 10.1021/jm2013369 BindingDB Entry DOI: 10.7270/Q24B32BR
					More data for this Ligand-Target Pair
Smoothened homolog (Homo sapiens (Human))	BDBM50383036 (CHEMBL2031098) Show SMILES COc1cc(cc(OC)c1OC)C(=O)NC(=S)Nc1cccc(NC(=O)c2ccc(cc2)-c2ccccc2)c1 Show InChI InChI=1S/C30H27N3O5S/c1-36-25-16-22(17-26(37-2)27(25)38-3)29(35)33-30(39)32-24-11-7-10-23(18-24)31-28(34)21-14-12-20(13-15-21)19-8-5-4-6-9-19/h4-18H,1-3H3,(H,31,34)(H2,32,33,35,39)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	90	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description Inhibition of Smo-mediated Hh signaling in human Shh-light2 cells by luciferase reporter gene assay				J Med Chem 55: 1559-71 (2012) Article DOI: 10.1021/jm2013369 BindingDB Entry DOI: 10.7270/Q24B32BR
					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)
Smoothened homolog (Homo sapiens (Human))	BDBM50383037 (CHEMBL2031245) Show SMILES COc1cc(cc(OC)c1OC)C(=O)NC(=S)Nc1cccc(NC(=O)c2ccc(cc2)-c2ccc(F)cc2)c1 Show InChI InChI=1S/C30H26FN3O5S/c1-37-25-15-21(16-26(38-2)27(25)39-3)29(36)34-30(40)33-24-6-4-5-23(17-24)32-28(35)20-9-7-18(8-10-20)19-11-13-22(31)14-12-19/h4-17H,1-3H3,(H,32,35)(H2,33,34,36,40)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description Inhibition of Smo-mediated Hh signaling in human Shh-light2 cells by luciferase reporter gene assay				J Med Chem 55: 1559-71 (2012) Article DOI: 10.1021/jm2013369 BindingDB Entry DOI: 10.7270/Q24B32BR
					More data for this Ligand-Target Pair
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
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 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))	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 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))	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 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))	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 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))	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 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))	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 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))	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 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))	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 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))	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 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))	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 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))	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 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))	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 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))	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 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
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))	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 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))	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 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))	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 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))	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 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))	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

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