Compile Data Set for Download or QSAR

Found 1113 hits with Last Name = 'soleymanzadeh' and Initial = 'f'   

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
Epoxide hydratase (Homo sapiens (Human))	BDBM50302462 (CHEMBL566648 | N-(4-bromo-2-(trifluoromethoxy)benz...) Show SMILES FC(F)(F)CCOc1ccc(cn1)C(=O)NCc1ccc(Br)cc1OC(F)(F)F Show InChI InChI=1S/C17H13BrF6N2O3/c18-12-3-1-10(13(7-12)29-17(22,23)24)8-26-15(27)11-2-4-14(25-9-11)28-6-5-16(19,20)21/h1-4,7,9H,5-6,8H2,(H,26,27)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of soluble EH in human HepG2 cells by cellular assay				Bioorg Med Chem Lett 19: 5864-8 (2009) Article DOI: 10.1016/j.bmcl.2009.08.074 BindingDB Entry DOI: 10.7270/Q27944SC
					More data for this Ligand-Target Pair
Rho-associated protein kinase 2 (Homo sapiens (Human))	BDBM119907 (US8697911, 30) Show SMILES N[C@H]1CCc2nc(NC(=O)c3cccc(CNC(=O)c4cccc(c4)-c4cn[nH]c4)c3)sc2C1 Show InChI InChI=1S/C25H24N6O2S/c26-20-7-8-21-22(11-20)34-25(30-21)31-24(33)17-5-1-3-15(9-17)12-27-23(32)18-6-2-4-16(10-18)19-13-28-29-14-19/h1-6,9-10,13-14,20H,7-8,11-12,26H2,(H,27,32)(H,28,29)(H,30,31,33)/t20-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.160	n/a	n/a	n/a	n/a	7.2	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description This assay is performed using FAM S6 substrate peptide (Catalogue #R7184) and IMAP FP Screening Express Kit detection reagents from Molecular Devices...				US Patent US8697911 (2014) BindingDB Entry DOI: 10.7270/Q25X27KR
					More data for this Ligand-Target Pair
Rho-associated protein kinase 2 (Homo sapiens (Human))	BDBM119936 (US8697911, 78) Show SMILES CN1CCc2ccc(NC(=O)c3cccc(CNC(=O)c4ccc(s4)-c4cn[nH]c4)c3)cc2C1 Show InChI InChI=1S/C26H25N5O2S/c1-31-10-9-18-5-6-22(12-20(18)16-31)30-25(32)19-4-2-3-17(11-19)13-27-26(33)24-8-7-23(34-24)21-14-28-29-15-21/h2-8,11-12,14-15H,9-10,13,16H2,1H3,(H,27,33)(H,28,29)(H,30,32)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.170	n/a	n/a	n/a	n/a	7.2	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description This assay is performed using FAM S6 substrate peptide (Catalogue #R7184) and IMAP FP Screening Express Kit detection reagents from Molecular Devices...				US Patent US8697911 (2014) BindingDB Entry DOI: 10.7270/Q25X27KR
					More data for this Ligand-Target Pair
Ribosomal protein S6 kinase alpha 2 (Homo sapiens (Human))	BDBM184269 (US9150577, 139) Show SMILES C[C@@H]1NC(=O)c2cc3ccc(cc3n2[C@@H]1C)C(=O)Nc1nc2ccccc2n1CCCN(C)C Show InChI InChI=1S/C26H30N6O2/c1-16-17(2)32-22-15-19(11-10-18(22)14-23(32)25(34)27-16)24(33)29-26-28-20-8-5-6-9-21(20)31(26)13-7-12-30(3)4/h5-6,8-11,14-17H,7,12-13H2,1-4H3,(H,27,34)(H,28,29,33)/t16-,17+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.180	n/a	n/a	n/a	n/a	7.5	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Human RSK2 protein, purchased from Invitrogen, is used to measure kinase activity utilizing Kinase Glo Plus (Promega) a homogeneous assay technology,...				US Patent US9150577 (2015) BindingDB Entry DOI: 10.7270/Q2GB22V6
					More data for this Ligand-Target Pair
Rho-associated protein kinase 2 (Homo sapiens (Human))	BDBM119953 (US8697911, 112) Show SMILES CN1CCc2nc(NC(=O)c3cccc(CNC(=O)c4ccc(s4)-c4ccncc4)c3)sc2C1 Show InChI InChI=1S/C25H23N5O2S2/c1-30-12-9-19-22(15-30)34-25(28-19)29-23(31)18-4-2-3-16(13-18)14-27-24(32)21-6-5-20(33-21)17-7-10-26-11-8-17/h2-8,10-11,13H,9,12,14-15H2,1H3,(H,27,32)(H,28,29,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.180	n/a	n/a	n/a	n/a	7.2	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description This assay is performed using FAM S6 substrate peptide (Catalogue #R7184) and IMAP FP Screening Express Kit detection reagents from Molecular Devices...				US Patent US8697911 (2014) BindingDB Entry DOI: 10.7270/Q25X27KR
					More data for this Ligand-Target Pair
Rho-associated protein kinase 2 (Homo sapiens (Human))	BDBM119965 (US8697911, 129) Show SMILES CN1CCc2ccc(NC(=O)c3cccc(CNC(=O)c4ccc(cc4)-c4ccncc4)c3)cc2C1 Show InChI InChI=1S/C30H28N4O2/c1-34-16-13-23-9-10-28(18-27(23)20-34)33-30(36)26-4-2-3-21(17-26)19-32-29(35)25-7-5-22(6-8-25)24-11-14-31-15-12-24/h2-12,14-15,17-18H,13,16,19-20H2,1H3,(H,32,35)(H,33,36)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.195	n/a	n/a	n/a	n/a	7.2	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description This assay is performed using FAM S6 substrate peptide (Catalogue #R7184) and IMAP FP Screening Express Kit detection reagents from Molecular Devices...				US Patent US8697911 (2014) BindingDB Entry DOI: 10.7270/Q25X27KR
					More data for this Ligand-Target Pair
Rho-associated protein kinase 2 (Homo sapiens (Human))	BDBM119970 (US8697911, 136) Show SMILES CN(C)[C@H]1CCc2nc(NC(=O)c3cccc(CNC(=O)c4ccc(cc4)-c4cnco4)c3)sc2C1 Show InChI InChI=1S/C27H27N5O3S/c1-32(2)21-10-11-22-24(13-21)36-27(30-22)31-26(34)20-5-3-4-17(12-20)14-29-25(33)19-8-6-18(7-9-19)23-15-28-16-35-23/h3-9,12,15-16,21H,10-11,13-14H2,1-2H3,(H,29,33)(H,30,31,34)/t21-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.200	n/a	n/a	n/a	n/a	7.2	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description This assay is performed using FAM S6 substrate peptide (Catalogue #R7184) and IMAP FP Screening Express Kit detection reagents from Molecular Devices...				US Patent US8697911 (2014) BindingDB Entry DOI: 10.7270/Q25X27KR
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM303609 (US10138229, Example 121) Show SMILES NC(=O)c1c(N)n(nc1-c1ccc(Oc2ccccc2)cn1)[C@H]1C[C@]2(C1)CCCN(C2)C(=O)C=C Show InChI InChI=1S/C26H28N6O3/c1-2-21(33)31-12-6-11-26(16-31)13-17(14-26)32-24(27)22(25(28)34)23(30-32)20-10-9-19(15-29-20)35-18-7-4-3-5-8-18/h2-5,7-10,15,17H,1,6,11-14,16,27H2,(H2,28,34)/t17-,26-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	PC cid PC sid UniChem	US Patent	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description TBDAn HTRF assay (Cisbio KinEASE-TK cat #62TKOPEC) was performed to quantitate the ability of test compounds to inhibit BTK mediated phosphorylation ...				US Patent US10138229 (2018) BindingDB Entry DOI: 10.7270/Q2CJ8GJJ
					More data for this Ligand-Target Pair
Rho-associated protein kinase 2 (Homo sapiens (Human))	BDBM120005 (US8697911, 207) Show SMILES CN(C)[C@H]1CCc2nc(NC(=O)c3cccc(CNC(=O)c4cc(n[nH]4)-c4ccncc4)c3)sc2C1 Show InChI InChI=1S/C26H27N7O2S/c1-33(2)19-6-7-20-23(13-19)36-26(29-20)30-24(34)18-5-3-4-16(12-18)15-28-25(35)22-14-21(31-32-22)17-8-10-27-11-9-17/h3-5,8-12,14,19H,6-7,13,15H2,1-2H3,(H,28,35)(H,31,32)(H,29,30,34)/t19-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.200	n/a	n/a	n/a	n/a	7.2	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description This assay is performed using FAM S6 substrate peptide (Catalogue #R7184) and IMAP FP Screening Express Kit detection reagents from Molecular Devices...				US Patent US8697911 (2014) BindingDB Entry DOI: 10.7270/Q25X27KR
					More data for this Ligand-Target Pair
Rho-associated protein kinase 2 (Homo sapiens (Human))	BDBM119971 (US8697911, 138) Show SMILES CN(C)[C@H]1CCc2nc(NC(=O)c3cccc(CNC(=O)c4nnn(-c5nonc5N)c4-c4ccccc4)c3)sc2C1 Show InChI InChI=1S/C28H28N10O3S/c1-37(2)19-11-12-20-21(14-19)42-28(31-20)32-26(39)18-10-6-7-16(13-18)15-30-27(40)22-23(17-8-4-3-5-9-17)38(36-33-22)25-24(29)34-41-35-25/h3-10,13,19H,11-12,14-15H2,1-2H3,(H2,29,34)(H,30,40)(H,31,32,39)/t19-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.210	n/a	n/a	n/a	n/a	7.2	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description This assay is performed using FAM S6 substrate peptide (Catalogue #R7184) and IMAP FP Screening Express Kit detection reagents from Molecular Devices...				US Patent US8697911 (2014) BindingDB Entry DOI: 10.7270/Q25X27KR
					More data for this Ligand-Target Pair
Rho-associated protein kinase 2 (Homo sapiens (Human))	BDBM119896 (US8697911, 12) Show SMILES CN1CCc2nc(NC(=O)c3cccc(CNC(=O)c4ccc(cc4)-c4cnco4)c3)sc2C1 Show InChI InChI=1S/C25H23N5O3S/c1-30-10-9-20-22(14-30)34-25(28-20)29-24(32)19-4-2-3-16(11-19)12-27-23(31)18-7-5-17(6-8-18)21-13-26-15-33-21/h2-8,11,13,15H,9-10,12,14H2,1H3,(H,27,31)(H,28,29,32)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.210	n/a	n/a	n/a	n/a	7.2	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description This assay is performed using FAM S6 substrate peptide (Catalogue #R7184) and IMAP FP Screening Express Kit detection reagents from Molecular Devices...				US Patent US8697911 (2014) BindingDB Entry DOI: 10.7270/Q25X27KR
					More data for this Ligand-Target Pair
Rho-associated protein kinase 2 (Homo sapiens (Human))	BDBM119966 (US8697911, 130) Show SMILES CN(C)[C@H]1CCc2nc(NC(=O)c3cccc(CNC(=O)c4ccc(s4)-c4cn[nH]c4)c3)sc2C1 Show InChI InChI=1S/C25H26N6O2S2/c1-31(2)18-6-7-19-22(11-18)35-25(29-19)30-23(32)16-5-3-4-15(10-16)12-26-24(33)21-9-8-20(34-21)17-13-27-28-14-17/h3-5,8-10,13-14,18H,6-7,11-12H2,1-2H3,(H,26,33)(H,27,28)(H,29,30,32)/t18-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.220	n/a	n/a	n/a	n/a	7.2	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description This assay is performed using FAM S6 substrate peptide (Catalogue #R7184) and IMAP FP Screening Express Kit detection reagents from Molecular Devices...				US Patent US8697911 (2014) BindingDB Entry DOI: 10.7270/Q25X27KR
					More data for this Ligand-Target Pair
Rho-associated protein kinase 2 (Homo sapiens (Human))	BDBM119950 (US8697911, 106) Show SMILES CN(C)[C@H]1CCc2nc(NC(=O)c3cccc(CNC(=O)c4ccc(cc4)-c4ccncc4)c3)sc2C1 Show InChI InChI=1S/C29H29N5O2S/c1-34(2)24-10-11-25-26(17-24)37-29(32-25)33-28(36)23-5-3-4-19(16-23)18-31-27(35)22-8-6-20(7-9-22)21-12-14-30-15-13-21/h3-9,12-16,24H,10-11,17-18H2,1-2H3,(H,31,35)(H,32,33,36)/t24-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.220	n/a	n/a	n/a	n/a	7.2	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description This assay is performed using FAM S6 substrate peptide (Catalogue #R7184) and IMAP FP Screening Express Kit detection reagents from Molecular Devices...				US Patent US8697911 (2014) BindingDB Entry DOI: 10.7270/Q25X27KR
					More data for this Ligand-Target Pair
Rho-associated protein kinase 2 (Homo sapiens (Human))	BDBM119957 (US8697911, 119) Show SMILES CN1CCc2ccc(NC(=O)c3cccc(CNC(=O)c4cc(n[nH]4)-c4ccncc4)c3)cc2C1 Show InChI InChI=1S/C27H26N6O2/c1-33-12-9-19-5-6-23(14-22(19)17-33)30-26(34)21-4-2-3-18(13-21)16-29-27(35)25-15-24(31-32-25)20-7-10-28-11-8-20/h2-8,10-11,13-15H,9,12,16-17H2,1H3,(H,29,35)(H,30,34)(H,31,32)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.220	n/a	n/a	n/a	n/a	7.2	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description This assay is performed using FAM S6 substrate peptide (Catalogue #R7184) and IMAP FP Screening Express Kit detection reagents from Molecular Devices...				US Patent US8697911 (2014) BindingDB Entry DOI: 10.7270/Q25X27KR
					More data for this Ligand-Target Pair
Rho-associated protein kinase 2 (Homo sapiens (Human))	BDBM119934 (US8697911, 74) Show SMILES CN1CCc2nc(NC(=O)c3cccc(CNC(=O)c4cc(n[nH]4)-c4ccncc4)c3)sc2C1 Show InChI InChI=1S/C24H23N7O2S/c1-31-10-7-18-21(14-31)34-24(27-18)28-22(32)17-4-2-3-15(11-17)13-26-23(33)20-12-19(29-30-20)16-5-8-25-9-6-16/h2-6,8-9,11-12H,7,10,13-14H2,1H3,(H,26,33)(H,29,30)(H,27,28,32)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.230	n/a	n/a	n/a	n/a	7.2	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description This assay is performed using FAM S6 substrate peptide (Catalogue #R7184) and IMAP FP Screening Express Kit detection reagents from Molecular Devices...				US Patent US8697911 (2014) BindingDB Entry DOI: 10.7270/Q25X27KR
					More data for this Ligand-Target Pair
Rho-associated protein kinase 2 (Homo sapiens (Human))	BDBM119969 (US8697911, 134) Show SMILES CN(C)[C@H]1CCc2nc(NC(=O)c3cccc(CNC(=O)c4ccc(cc4)-n4ccnc4)c3)sc2C1 Show InChI InChI=1S/C27H28N6O2S/c1-32(2)22-10-11-23-24(15-22)36-27(30-23)31-26(35)20-5-3-4-18(14-20)16-29-25(34)19-6-8-21(9-7-19)33-13-12-28-17-33/h3-9,12-14,17,22H,10-11,15-16H2,1-2H3,(H,29,34)(H,30,31,35)/t22-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.240	n/a	n/a	n/a	n/a	7.2	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description This assay is performed using FAM S6 substrate peptide (Catalogue #R7184) and IMAP FP Screening Express Kit detection reagents from Molecular Devices...				US Patent US8697911 (2014) BindingDB Entry DOI: 10.7270/Q25X27KR
					More data for this Ligand-Target Pair
Rho-associated protein kinase 2 (Homo sapiens (Human))	BDBM119933 (US8697911, 70) Show SMILES CN1CCc2ccc(NC(=O)c3cccc(CNC(=O)c4ccc(s4)-c4ccncc4)c3)cc2C1 Show InChI InChI=1S/C28H26N4O2S/c1-32-14-11-20-5-6-24(16-23(20)18-32)31-27(33)22-4-2-3-19(15-22)17-30-28(34)26-8-7-25(35-26)21-9-12-29-13-10-21/h2-10,12-13,15-16H,11,14,17-18H2,1H3,(H,30,34)(H,31,33)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.25	n/a	n/a	n/a	n/a	7.2	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description This assay is performed using FAM S6 substrate peptide (Catalogue #R7184) and IMAP FP Screening Express Kit detection reagents from Molecular Devices...				US Patent US8697911 (2014) BindingDB Entry DOI: 10.7270/Q25X27KR
					More data for this Ligand-Target Pair
Ribosomal protein S6 kinase alpha 2 (Homo sapiens (Human))	BDBM184222 (US9150577, 82) Show SMILES CCn1c(NC(=O)c2ccc3cc4C(=O)NCC(C)(C)n4c3c2)nc2ccccc12 Show InChI InChI=1S/C23H23N5O2/c1-4-27-17-8-6-5-7-16(17)25-22(27)26-20(29)15-10-9-14-11-19-21(30)24-13-23(2,3)28(19)18(14)12-15/h5-12H,4,13H2,1-3H3,(H,24,30)(H,25,26,29)	Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.25	n/a	n/a	n/a	n/a	7.5	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Human RSK2 protein, purchased from Invitrogen, is used to measure kinase activity utilizing Kinase Glo Plus (Promega) a homogeneous assay technology,...				US Patent US9150577 (2015) BindingDB Entry DOI: 10.7270/Q2GB22V6
					More data for this Ligand-Target Pair
Rho-associated protein kinase 2 (Homo sapiens (Human))	BDBM120004 (US8697911, 205) Show SMILES CN(C)[C@H]1CCc2nc(NC(=O)c3cccc(CNC(=O)c4sc(nc4C)-c4ccncc4)c3)sc2C1 Show InChI InChI=1S/C27H28N6O2S2/c1-16-23(37-26(30-16)18-9-11-28-12-10-18)25(35)29-15-17-5-4-6-19(13-17)24(34)32-27-31-21-8-7-20(33(2)3)14-22(21)36-27/h4-6,9-13,20H,7-8,14-15H2,1-3H3,(H,29,35)(H,31,32,34)/t20-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.25	n/a	n/a	n/a	n/a	7.2	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description This assay is performed using FAM S6 substrate peptide (Catalogue #R7184) and IMAP FP Screening Express Kit detection reagents from Molecular Devices...				US Patent US8697911 (2014) BindingDB Entry DOI: 10.7270/Q25X27KR
					More data for this Ligand-Target Pair
Rho-associated protein kinase 2 (Homo sapiens (Human))	BDBM119926 (US8697911, 56) Show SMILES CN1CCc2nc(NC(=O)c3cccc(CNC(=O)c4ccc(cc4)-c4ccncc4)c3)sc2C1 Show InChI InChI=1S/C27H25N5O2S/c1-32-14-11-23-24(17-32)35-27(30-23)31-26(34)22-4-2-3-18(15-22)16-29-25(33)21-7-5-19(6-8-21)20-9-12-28-13-10-20/h2-10,12-13,15H,11,14,16-17H2,1H3,(H,29,33)(H,30,31,34)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.260	n/a	n/a	n/a	n/a	7.2	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description This assay is performed using FAM S6 substrate peptide (Catalogue #R7184) and IMAP FP Screening Express Kit detection reagents from Molecular Devices...				US Patent US8697911 (2014) BindingDB Entry DOI: 10.7270/Q25X27KR
					More data for this Ligand-Target Pair
Rho-associated protein kinase 2 (Homo sapiens (Human))	BDBM119938 (US8697911, 84) Show SMILES CN1CCc2ccc(NC(=O)c3cccc(CNC(=O)c4cc5ccc(cc5n4C)C(N)=O)c3)cc2C1 Show InChI InChI=1S/C29H29N5O3/c1-33-11-10-19-8-9-24(13-23(19)17-33)32-28(36)22-5-3-4-18(12-22)16-31-29(37)26-14-20-6-7-21(27(30)35)15-25(20)34(26)2/h3-9,12-15H,10-11,16-17H2,1-2H3,(H2,30,35)(H,31,37)(H,32,36)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.260	n/a	n/a	n/a	n/a	7.2	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description This assay is performed using FAM S6 substrate peptide (Catalogue #R7184) and IMAP FP Screening Express Kit detection reagents from Molecular Devices...				US Patent US8697911 (2014) BindingDB Entry DOI: 10.7270/Q25X27KR
					More data for this Ligand-Target Pair
Rho-associated protein kinase 2 (Homo sapiens (Human))	BDBM119946 (US8697911, 98) Show SMILES CN(C)[C@H]1CCc2nc(NC(=O)c3cccc(CNC(=O)c4cn5ccc(cc5n4)C#N)c3)sc2C1 Show InChI InChI=1S/C26H25N7O2S/c1-32(2)19-6-7-20-22(12-19)36-26(30-20)31-24(34)18-5-3-4-17(10-18)14-28-25(35)21-15-33-9-8-16(13-27)11-23(33)29-21/h3-5,8-11,15,19H,6-7,12,14H2,1-2H3,(H,28,35)(H,30,31,34)/t19-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.270	n/a	n/a	n/a	n/a	7.2	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description This assay is performed using FAM S6 substrate peptide (Catalogue #R7184) and IMAP FP Screening Express Kit detection reagents from Molecular Devices...				US Patent US8697911 (2014) BindingDB Entry DOI: 10.7270/Q25X27KR
					More data for this Ligand-Target Pair
Rho-associated protein kinase 2 (Homo sapiens (Human))	BDBM119963 (US8697911, 126) Show SMILES CN(C)[C@H]1CCc2nc(NC(=O)c3cccc(CNC(=O)c4ccc(s4)-c4ccncc4)c3)sc2C1 Show InChI InChI=1S/C27H27N5O2S2/c1-32(2)20-6-7-21-24(15-20)36-27(30-21)31-25(33)19-5-3-4-17(14-19)16-29-26(34)23-9-8-22(35-23)18-10-12-28-13-11-18/h3-5,8-14,20H,6-7,15-16H2,1-2H3,(H,29,34)(H,30,31,33)/t20-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.270	n/a	n/a	n/a	n/a	7.2	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description This assay is performed using FAM S6 substrate peptide (Catalogue #R7184) and IMAP FP Screening Express Kit detection reagents from Molecular Devices...				US Patent US8697911 (2014) BindingDB Entry DOI: 10.7270/Q25X27KR
					More data for this Ligand-Target Pair
Rho-associated protein kinase 2 (Homo sapiens (Human))	BDBM119951 (US8697911, 108) Show SMILES CN(C)[C@H]1CCc2nc(NC(=O)c3cccc(CNC(=O)c4csc(n4)-c4cccnc4)c3)sc2C1 Show InChI InChI=1S/C26H26N6O2S2/c1-32(2)19-8-9-20-22(12-19)36-26(30-20)31-23(33)17-6-3-5-16(11-17)13-28-24(34)21-15-35-25(29-21)18-7-4-10-27-14-18/h3-7,10-11,14-15,19H,8-9,12-13H2,1-2H3,(H,28,34)(H,30,31,33)/t19-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.320	n/a	n/a	n/a	n/a	7.2	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description This assay is performed using FAM S6 substrate peptide (Catalogue #R7184) and IMAP FP Screening Express Kit detection reagents from Molecular Devices...				US Patent US8697911 (2014) BindingDB Entry DOI: 10.7270/Q25X27KR
					More data for this Ligand-Target Pair
Rho-associated protein kinase 2 (Homo sapiens (Human))	BDBM119967 (US8697911, 132) Show SMILES CN(C)[C@H]1CCc2nc(NC(=O)c3cccc(CNC(=O)c4cccc(c4)-c4cn[nH]c4)c3)sc2C1 Show InChI InChI=1S/C27H28N6O2S/c1-33(2)22-9-10-23-24(13-22)36-27(31-23)32-26(35)19-7-3-5-17(11-19)14-28-25(34)20-8-4-6-18(12-20)21-15-29-30-16-21/h3-8,11-12,15-16,22H,9-10,13-14H2,1-2H3,(H,28,34)(H,29,30)(H,31,32,35)/t22-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.320	n/a	n/a	n/a	n/a	7.2	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description This assay is performed using FAM S6 substrate peptide (Catalogue #R7184) and IMAP FP Screening Express Kit detection reagents from Molecular Devices...				US Patent US8697911 (2014) BindingDB Entry DOI: 10.7270/Q25X27KR
					More data for this Ligand-Target Pair
Rho-associated protein kinase 2 (Homo sapiens (Human))	BDBM119973 (US8697911, 142) Show SMILES CN(C)[C@H]1CCc2nc(NC(=O)c3cccc(CNC(=O)c4nnn(c4C)-c4nonc4N)c3)sc2C1 Show InChI InChI=1S/C23H26N10O3S/c1-12-18(28-31-33(12)20-19(24)29-36-30-20)22(35)25-11-13-5-4-6-14(9-13)21(34)27-23-26-16-8-7-15(32(2)3)10-17(16)37-23/h4-6,9,15H,7-8,10-11H2,1-3H3,(H2,24,29)(H,25,35)(H,26,27,34)/t15-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.330	n/a	n/a	n/a	n/a	7.2	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description This assay is performed using FAM S6 substrate peptide (Catalogue #R7184) and IMAP FP Screening Express Kit detection reagents from Molecular Devices...				US Patent US8697911 (2014) BindingDB Entry DOI: 10.7270/Q25X27KR
					More data for this Ligand-Target Pair
Rho-associated protein kinase 2 (Homo sapiens (Human))	BDBM119984 (US8697911, 166) Show SMILES O=C(NCc1cccc(c1)C(=O)Nc1nc2CC[C@@H](Cc2s1)N1CCOCC1)c1cc(n[nH]1)-c1ccncc1 Show InChI InChI=1S/C28H29N7O3S/c36-26(32-28-31-22-5-4-21(15-25(22)39-28)35-10-12-38-13-11-35)20-3-1-2-18(14-20)17-30-27(37)24-16-23(33-34-24)19-6-8-29-9-7-19/h1-3,6-9,14,16,21H,4-5,10-13,15,17H2,(H,30,37)(H,33,34)(H,31,32,36)/t21-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.340	n/a	n/a	n/a	n/a	7.2	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description This assay is performed using FAM S6 substrate peptide (Catalogue #R7184) and IMAP FP Screening Express Kit detection reagents from Molecular Devices...				US Patent US8697911 (2014) BindingDB Entry DOI: 10.7270/Q25X27KR
					More data for this Ligand-Target Pair
Rho-associated protein kinase 2 (Homo sapiens (Human))	BDBM119988 (US8697911, 174) Show SMILES Cc1nnnn1-c1ccc(cc1)C(=O)NCc1cccc(c1)C(=O)Nc1nc2CC[C@@H](Cc2s1)N1CCOCC1 Show InChI InChI=1S/C28H30N8O3S/c1-18-32-33-34-36(18)22-7-5-20(6-8-22)26(37)29-17-19-3-2-4-21(15-19)27(38)31-28-30-24-10-9-23(16-25(24)40-28)35-11-13-39-14-12-35/h2-8,15,23H,9-14,16-17H2,1H3,(H,29,37)(H,30,31,38)/t23-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.350	n/a	n/a	n/a	n/a	7.2	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description This assay is performed using FAM S6 substrate peptide (Catalogue #R7184) and IMAP FP Screening Express Kit detection reagents from Molecular Devices...				US Patent US8697911 (2014) BindingDB Entry DOI: 10.7270/Q25X27KR
					More data for this Ligand-Target Pair
Rho-associated protein kinase 2 (Homo sapiens (Human))	BDBM119964 (US8697911, 128) Show SMILES CN(C)[C@H]1CCc2nc(NC(=O)c3cccc(CNC(=O)c4ccc(s4)-c4cnco4)c3)sc2C1 Show InChI InChI=1S/C25H25N5O3S2/c1-30(2)17-6-7-18-22(11-17)35-25(28-18)29-23(31)16-5-3-4-15(10-16)12-27-24(32)21-9-8-20(34-21)19-13-26-14-33-19/h3-5,8-10,13-14,17H,6-7,11-12H2,1-2H3,(H,27,32)(H,28,29,31)/t17-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.370	n/a	n/a	n/a	n/a	7.2	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description This assay is performed using FAM S6 substrate peptide (Catalogue #R7184) and IMAP FP Screening Express Kit detection reagents from Molecular Devices...				US Patent US8697911 (2014) BindingDB Entry DOI: 10.7270/Q25X27KR
					More data for this Ligand-Target Pair
Rho-associated protein kinase 2 (Homo sapiens (Human))	BDBM119985 (US8697911, 168) Show SMILES Cc1nc(sc1C(=O)NCc1cccc(c1)C(=O)Nc1nc2CC[C@@H](Cc2s1)N1CCOCC1)-c1ccncc1 Show InChI InChI=1S/C29H30N6O3S2/c1-18-25(40-28(32-18)20-7-9-30-10-8-20)27(37)31-17-19-3-2-4-21(15-19)26(36)34-29-33-23-6-5-22(16-24(23)39-29)35-11-13-38-14-12-35/h2-4,7-10,15,22H,5-6,11-14,16-17H2,1H3,(H,31,37)(H,33,34,36)/t22-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.370	n/a	n/a	n/a	n/a	7.2	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description This assay is performed using FAM S6 substrate peptide (Catalogue #R7184) and IMAP FP Screening Express Kit detection reagents from Molecular Devices...				US Patent US8697911 (2014) BindingDB Entry DOI: 10.7270/Q25X27KR
					More data for this Ligand-Target Pair
Rho-associated protein kinase 2 (Homo sapiens (Human))	BDBM119987 (US8697911, 172) Show SMILES O=C(NCc1cccc(c1)C(=O)Nc1nc2CC[C@@H](Cc2s1)N1CCOCC1)c1ccc(cc1)-n1ccnc1 Show InChI InChI=1S/C29H30N6O3S/c36-27(21-4-6-23(7-5-21)35-11-10-30-19-35)31-18-20-2-1-3-22(16-20)28(37)33-29-32-25-9-8-24(17-26(25)39-29)34-12-14-38-15-13-34/h1-7,10-11,16,19,24H,8-9,12-15,17-18H2,(H,31,36)(H,32,33,37)/t24-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.380	n/a	n/a	n/a	n/a	7.2	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description This assay is performed using FAM S6 substrate peptide (Catalogue #R7184) and IMAP FP Screening Express Kit detection reagents from Molecular Devices...				US Patent US8697911 (2014) BindingDB Entry DOI: 10.7270/Q25X27KR
					More data for this Ligand-Target Pair
Ribosomal protein S6 kinase alpha 2 (Homo sapiens (Human))	BDBM184235 (US9150577, 98) Show SMILES CN(C)CCCn1c(NC(=O)c2ccc3cc4C(=O)NCC(C)(C)n4c3c2)nc2ccccc12 Show InChI InChI=1S/C26H30N6O2/c1-26(2)16-27-24(34)22-14-17-10-11-18(15-21(17)32(22)26)23(33)29-25-28-19-8-5-6-9-20(19)31(25)13-7-12-30(3)4/h5-6,8-11,14-15H,7,12-13,16H2,1-4H3,(H,27,34)(H,28,29,33)	Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.380	n/a	n/a	n/a	n/a	7.5	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Human RSK2 protein, purchased from Invitrogen, is used to measure kinase activity utilizing Kinase Glo Plus (Promega) a homogeneous assay technology,...				US Patent US9150577 (2015) BindingDB Entry DOI: 10.7270/Q2GB22V6
					More data for this Ligand-Target Pair
Rho-associated protein kinase 2 (Homo sapiens (Human))	BDBM119899 (US8697911, 20) Show SMILES CN1CCc2nc(NC(=O)c3cccc(CNC(=O)c4ccc5cc(O)ccc5c4)c3)sc2C1 Show InChI InChI=1S/C26H24N4O3S/c1-30-10-9-22-23(15-30)34-26(28-22)29-25(33)19-4-2-3-16(11-19)14-27-24(32)20-6-5-18-13-21(31)8-7-17(18)12-20/h2-8,11-13,31H,9-10,14-15H2,1H3,(H,27,32)(H,28,29,33)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.390	n/a	n/a	n/a	n/a	7.2	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description This assay is performed using FAM S6 substrate peptide (Catalogue #R7184) and IMAP FP Screening Express Kit detection reagents from Molecular Devices...				US Patent US8697911 (2014) BindingDB Entry DOI: 10.7270/Q25X27KR
					More data for this Ligand-Target Pair
Rho-associated protein kinase 2 (Homo sapiens (Human))	BDBM119986 (US8697911, 170) Show SMILES O=C(NCc1cccc(c1)C(=O)Nc1nc2CC[C@@H](Cc2s1)N1CCOCC1)c1cccc(c1)-c1cn[nH]c1 Show InChI InChI=1S/C29H30N6O3S/c36-27(22-6-2-4-20(14-22)23-17-31-32-18-23)30-16-19-3-1-5-21(13-19)28(37)34-29-33-25-8-7-24(15-26(25)39-29)35-9-11-38-12-10-35/h1-6,13-14,17-18,24H,7-12,15-16H2,(H,30,36)(H,31,32)(H,33,34,37)/t24-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.410	n/a	n/a	n/a	n/a	7.2	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description This assay is performed using FAM S6 substrate peptide (Catalogue #R7184) and IMAP FP Screening Express Kit detection reagents from Molecular Devices...				US Patent US8697911 (2014) BindingDB Entry DOI: 10.7270/Q25X27KR
					More data for this Ligand-Target Pair
Ribosomal protein S6 kinase alpha 2 (Homo sapiens (Human))	BDBM184270 (US9150577, 140) Show SMILES C[C@@H]1NC(=O)c2cc3ccc(cc3n2[C@@H]1C)C(=O)Nc1cnn(Cc2ccccc2)c1 Show InChI InChI=1S/C24H23N5O2/c1-15-16(2)29-21-11-19(9-8-18(21)10-22(29)24(31)26-15)23(30)27-20-12-25-28(14-20)13-17-6-4-3-5-7-17/h3-12,14-16H,13H2,1-2H3,(H,26,31)(H,27,30)/t15-,16+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.420	n/a	n/a	n/a	n/a	7.5	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Human RSK2 protein, purchased from Invitrogen, is used to measure kinase activity utilizing Kinase Glo Plus (Promega) a homogeneous assay technology,...				US Patent US9150577 (2015) BindingDB Entry DOI: 10.7270/Q2GB22V6
					More data for this Ligand-Target Pair
Rho-associated protein kinase 2 (Homo sapiens (Human))	BDBM119949 (US8697911, 104) Show SMILES CN(C)[C@H]1CCc2nc(NC(=O)c3cccc(CNC(=O)c4ccc(cc4)-n4nnnc4C)c3)sc2C1 Show InChI InChI=1S/C26H28N8O2S/c1-16-30-31-32-34(16)20-9-7-18(8-10-20)24(35)27-15-17-5-4-6-19(13-17)25(36)29-26-28-22-12-11-21(33(2)3)14-23(22)37-26/h4-10,13,21H,11-12,14-15H2,1-3H3,(H,27,35)(H,28,29,36)/t21-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.430	n/a	n/a	n/a	n/a	7.2	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description This assay is performed using FAM S6 substrate peptide (Catalogue #R7184) and IMAP FP Screening Express Kit detection reagents from Molecular Devices...				US Patent US8697911 (2014) BindingDB Entry DOI: 10.7270/Q25X27KR
					More data for this Ligand-Target Pair
Rho-associated protein kinase 2 (Homo sapiens (Human))	BDBM119982 (US8697911, 162) Show SMILES O=C(NCc1cccc(c1)C(=O)Nc1nc2CC[C@@H](Cc2s1)N1CCOCC1)c1ccc(cc1)-c1cnco1 Show InChI InChI=1S/C29H29N5O4S/c35-27(21-6-4-20(5-7-21)25-17-30-18-38-25)31-16-19-2-1-3-22(14-19)28(36)33-29-32-24-9-8-23(15-26(24)39-29)34-10-12-37-13-11-34/h1-7,14,17-18,23H,8-13,15-16H2,(H,31,35)(H,32,33,36)/t23-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.430	n/a	n/a	n/a	n/a	7.2	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description This assay is performed using FAM S6 substrate peptide (Catalogue #R7184) and IMAP FP Screening Express Kit detection reagents from Molecular Devices...				US Patent US8697911 (2014) BindingDB Entry DOI: 10.7270/Q25X27KR
					More data for this Ligand-Target Pair
Rho-associated protein kinase 2 (Homo sapiens (Human))	BDBM119905 (US8697911, 28) Show SMILES N[C@@H]1CCc2nc(NC(=O)c3cccc(CNC(=O)c4cccc(c4)-c4cn[nH]c4)c3)sc2C1 Show InChI InChI=1S/C25H24N6O2S/c26-20-7-8-21-22(11-20)34-25(30-21)31-24(33)17-5-1-3-15(9-17)12-27-23(32)18-6-2-4-16(10-18)19-13-28-29-14-19/h1-6,9-10,13-14,20H,7-8,11-12,26H2,(H,27,32)(H,28,29)(H,30,31,33)/t20-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.450	n/a	n/a	n/a	n/a	7.2	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description This assay is performed using FAM S6 substrate peptide (Catalogue #R7184) and IMAP FP Screening Express Kit detection reagents from Molecular Devices...				US Patent US8697911 (2014) BindingDB Entry DOI: 10.7270/Q25X27KR
					More data for this Ligand-Target Pair
Rho-associated protein kinase 2 (Homo sapiens (Human))	BDBM119925 (US8697911, 54) Show SMILES CN1CCc2ccc(NC(=O)c3cccc(CNC(=O)c4cc5ccc(cc5[nH]4)C(N)=O)c3)cc2C1 Show InChI InChI=1S/C28H27N5O3/c1-33-10-9-18-7-8-23(12-22(18)16-33)31-27(35)21-4-2-3-17(11-21)15-30-28(36)25-13-19-5-6-20(26(29)34)14-24(19)32-25/h2-8,11-14,32H,9-10,15-16H2,1H3,(H2,29,34)(H,30,36)(H,31,35)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.450	n/a	n/a	n/a	n/a	7.2	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description This assay is performed using FAM S6 substrate peptide (Catalogue #R7184) and IMAP FP Screening Express Kit detection reagents from Molecular Devices...				US Patent US8697911 (2014) BindingDB Entry DOI: 10.7270/Q25X27KR
					More data for this Ligand-Target Pair
Rho-associated protein kinase 2 (Homo sapiens (Human))	BDBM119954 (US8697911, 114) Show SMILES CN1CCc2nc(NC(=O)c3cccc(CNC(=O)c4ccc(s4)-c4cnco4)c3)sc2C1 Show InChI InChI=1S/C23H21N5O3S2/c1-28-8-7-16-20(12-28)33-23(26-16)27-21(29)15-4-2-3-14(9-15)10-25-22(30)19-6-5-18(32-19)17-11-24-13-31-17/h2-6,9,11,13H,7-8,10,12H2,1H3,(H,25,30)(H,26,27,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.450	n/a	n/a	n/a	n/a	7.2	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description This assay is performed using FAM S6 substrate peptide (Catalogue #R7184) and IMAP FP Screening Express Kit detection reagents from Molecular Devices...				US Patent US8697911 (2014) BindingDB Entry DOI: 10.7270/Q25X27KR
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM303652 (US10138229, Example 164) Show SMILES CC#CC(=O)N1CC[C@@]2(C[C@@H](C2)n2nc(c(C(N)=O)c2N)-c2ccc(OCC(F)(F)F)cc2)C1 Show InChI InChI=1S/C23H24F3N5O3/c1-2-3-17(32)30-9-8-22(12-30)10-15(11-22)31-20(27)18(21(28)33)19(29-31)14-4-6-16(7-5-14)34-13-23(24,25)26/h4-7,15H,8-13,27H2,1H3,(H2,28,33)/t15-,22-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	PC cid PC sid UniChem	US Patent	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description TBDAn HTRF assay (Cisbio KinEASE-TK cat #62TKOPEC) was performed to quantitate the ability of test compounds to inhibit BTK mediated phosphorylation ...				US Patent US10138229 (2018) BindingDB Entry DOI: 10.7270/Q2CJ8GJJ
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM303606 (US10138229, Example 118 | US10138229, Example 119) Show SMILES CC#CC(=O)N1CC[C@]2(C[C@@H](C2)n2nc(c(C(N)=O)c2N)-c2ccc(Oc3ccccc3)cn2)C1 Show InChI InChI=1S/C26H26N6O3/c1-2-6-21(33)31-12-11-26(16-31)13-17(14-26)32-24(27)22(25(28)34)23(30-32)20-10-9-19(15-29-20)35-18-7-4-3-5-8-18/h3-5,7-10,15,17H,11-14,16,27H2,1H3,(H2,28,34)/t17-,26+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	PC cid PC sid UniChem	US Patent	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description TBDAn HTRF assay (Cisbio KinEASE-TK cat #62TKOPEC) was performed to quantitate the ability of test compounds to inhibit BTK mediated phosphorylation ...				US Patent US10138229 (2018) BindingDB Entry DOI: 10.7270/Q2CJ8GJJ
					More data for this Ligand-Target Pair
Rho-associated protein kinase 2 (Homo sapiens (Human))	BDBM119977 (US8697911, 148) Show SMILES O=C(NCc1cccc(c1)C(=O)Nc1nc2CC[C@@H](Cc2s1)N1CCOCC1)c1cn2ccc(cc2n1)C#N Show InChI InChI=1S/C28H27N7O3S/c29-15-18-6-7-35-17-23(31-25(35)13-18)27(37)30-16-19-2-1-3-20(12-19)26(36)33-28-32-22-5-4-21(14-24(22)39-28)34-8-10-38-11-9-34/h1-3,6-7,12-13,17,21H,4-5,8-11,14,16H2,(H,30,37)(H,32,33,36)/t21-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.520	n/a	n/a	n/a	n/a	7.2	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description This assay is performed using FAM S6 substrate peptide (Catalogue #R7184) and IMAP FP Screening Express Kit detection reagents from Molecular Devices...				US Patent US8697911 (2014) BindingDB Entry DOI: 10.7270/Q25X27KR
					More data for this Ligand-Target Pair
Rho-associated protein kinase 2 (Homo sapiens (Human))	BDBM119894 (US8697911, 6) Show SMILES CN1CCc2nc(NC(=O)c3cccc(CNC(=O)c4cccc(c4)-c4cn[nH]c4)c3)sc2C1 Show InChI InChI=1S/C25H24N6O2S/c1-31-9-8-21-22(15-31)34-25(29-21)30-24(33)18-6-2-4-16(10-18)12-26-23(32)19-7-3-5-17(11-19)20-13-27-28-14-20/h2-7,10-11,13-14H,8-9,12,15H2,1H3,(H,26,32)(H,27,28)(H,29,30,33)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.530	n/a	n/a	n/a	n/a	7.2	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description This assay is performed using FAM S6 substrate peptide (Catalogue #R7184) and IMAP FP Screening Express Kit detection reagents from Molecular Devices...				US Patent US8697911 (2014) BindingDB Entry DOI: 10.7270/Q25X27KR
					More data for this Ligand-Target Pair
Rho-associated protein kinase 2 (Homo sapiens (Human))	BDBM119979 (US8697911, 152) Show SMILES Cc1c(nnn1-c1nonc1N)C(=O)NCc1cccc(c1)C(=O)Nc1nc2CC[C@@H](Cc2s1)N1CCOCC1 Show InChI InChI=1S/C25H28N10O4S/c1-14-20(30-33-35(14)22-21(26)31-39-32-22)24(37)27-13-15-3-2-4-16(11-15)23(36)29-25-28-18-6-5-17(12-19(18)40-25)34-7-9-38-10-8-34/h2-4,11,17H,5-10,12-13H2,1H3,(H2,26,31)(H,27,37)(H,28,29,36)/t17-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.570	n/a	n/a	n/a	n/a	7.2	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description This assay is performed using FAM S6 substrate peptide (Catalogue #R7184) and IMAP FP Screening Express Kit detection reagents from Molecular Devices...				US Patent US8697911 (2014) BindingDB Entry DOI: 10.7270/Q25X27KR
					More data for this Ligand-Target Pair
Rho-associated protein kinase 2 (Homo sapiens (Human))	BDBM119937 (US8697911, 80) Show SMILES CN1CCc2ccc(NC(=O)c3cccc(CNC(=O)c4cc5cc(ccc5[nH]4)C#N)c3)cc2C1 Show InChI InChI=1S/C28H25N5O2/c1-33-10-9-20-6-7-24(13-23(20)17-33)31-27(34)21-4-2-3-19(12-21)16-30-28(35)26-14-22-11-18(15-29)5-8-25(22)32-26/h2-8,11-14,32H,9-10,16-17H2,1H3,(H,30,35)(H,31,34)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.580	n/a	n/a	n/a	n/a	7.2	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description This assay is performed using FAM S6 substrate peptide (Catalogue #R7184) and IMAP FP Screening Express Kit detection reagents from Molecular Devices...				US Patent US8697911 (2014) BindingDB Entry DOI: 10.7270/Q25X27KR
					More data for this Ligand-Target Pair
Ribosomal protein S6 kinase alpha 2 (Homo sapiens (Human))	BDBM184201 (US9150577, 57) Show SMILES CC1CNC(=O)c2cc3ccc(cc3n12)C(=O)Nc1nc2ccccc2[nH]1 Show InChI InChI=1S/C20H17N5O2/c1-11-10-21-19(27)17-8-12-6-7-13(9-16(12)25(11)17)18(26)24-20-22-14-4-2-3-5-15(14)23-20/h2-9,11H,10H2,1H3,(H,21,27)(H2,22,23,24,26)	Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.590	n/a	n/a	n/a	n/a	7.5	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Human RSK2 protein, purchased from Invitrogen, is used to measure kinase activity utilizing Kinase Glo Plus (Promega) a homogeneous assay technology,...				US Patent US9150577 (2015) BindingDB Entry DOI: 10.7270/Q2GB22V6
					More data for this Ligand-Target Pair
Ribosomal protein S6 kinase alpha 2 (Homo sapiens (Human))	BDBM184290 (US9150577, 166) Show SMILES CCn1c(NC(=O)c2ccc3cc4C(=O)NCCC(C)n4c3c2)nc2ccccc12 Show InChI InChI=1S/C23H23N5O2/c1-3-27-18-7-5-4-6-17(18)25-23(27)26-21(29)16-9-8-15-12-20-22(30)24-11-10-14(2)28(20)19(15)13-16/h4-9,12-14H,3,10-11H2,1-2H3,(H,24,30)(H,25,26,29)	Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.600	n/a	n/a	n/a	n/a	7.5	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Human RSK2 protein, purchased from Invitrogen, is used to measure kinase activity utilizing Kinase Glo Plus (Promega) a homogeneous assay technology,...				US Patent US9150577 (2015) BindingDB Entry DOI: 10.7270/Q2GB22V6
					More data for this Ligand-Target Pair
Ribosomal protein S6 kinase alpha 2 (Homo sapiens (Human))	BDBM184260 (US9150577, 130) Show SMILES C[C@@H]1CNC(=O)c2cc3ccc(cc3n12)C(=O)Nc1cnn(Cc2ccccc2)c1 Show InChI InChI=1S/C23H21N5O2/c1-15-11-24-23(30)21-9-17-7-8-18(10-20(17)28(15)21)22(29)26-19-12-25-27(14-19)13-16-5-3-2-4-6-16/h2-10,12,14-15H,11,13H2,1H3,(H,24,30)(H,26,29)/t15-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.600	n/a	n/a	n/a	n/a	7.5	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Human RSK2 protein, purchased from Invitrogen, is used to measure kinase activity utilizing Kinase Glo Plus (Promega) a homogeneous assay technology,...				US Patent US9150577 (2015) BindingDB Entry DOI: 10.7270/Q2GB22V6
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM303642 (US10138229, Example 154) Show SMILES COc1ccc(cc1)-c1nn([C@H]2C[C@]3(C2)CCN(C3)C(=O)C#CC)c(N)c1C(N)=O Show InChI InChI=1S/C22H25N5O3/c1-3-4-17(28)26-10-9-22(13-26)11-15(12-22)27-20(23)18(21(24)29)19(25-27)14-5-7-16(30-2)8-6-14/h5-8,15H,9-13,23H2,1-2H3,(H2,24,29)/t15-,22-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	PC cid PC sid UniChem	US Patent	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description TBDAn HTRF assay (Cisbio KinEASE-TK cat #62TKOPEC) was performed to quantitate the ability of test compounds to inhibit BTK mediated phosphorylation ...				US Patent US10138229 (2018) BindingDB Entry DOI: 10.7270/Q2CJ8GJJ
					More data for this Ligand-Target Pair

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