Compile Data Set for Download or QSAR

Found 139 hits Enz. Inhib. hit(s) with all data for entry = 634   

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
Rho-associated protein kinase 1 (Homo sapiens (Human))	BDBM50173310 (CHEMBL3808660 | US10023564, Example 1) Show SMILES CC1=C(C(NC(=O)N1)c1ccc(F)c(c1)C(=O)NCc1ccccn1)C(=O)Nc1ccc2[nH]ncc2c1 Show InChI InChI=1S/C26H22FN7O3/c1-14-22(25(36)32-17-6-8-21-16(10-17)12-30-34-21)23(33-26(37)31-14)15-5-7-20(27)19(11-15)24(35)29-13-18-4-2-3-9-28-18/h2-12,23H,13H2,1H3,(H,29,35)(H,30,34)(H,32,36)(H2,31,33,37)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar	CHEMBL PC cid PC sid PDB UniChem Patents	US Patent	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
The Regents of the University of Michigan US Patent					Assay Description Rho-associated coiled-coil kinase (ROCK) assays were performed with the ADP-Glo system using 0.1 μg ROCK1 and 1 μg S6K substrate, and 100 &...				US Patent US10023564 (2018) BindingDB Entry DOI: 10.7270/Q2V126V5
					More data for this Ligand-Target Pair
Rho-associated protein kinase 1 (Homo sapiens (Human))	BDBM50173307 (CHEMBL3809796 | US10023564, Example 8) Show SMILES CC1=C(C(NC(=O)N1)c1ccc(F)c(c1)C(=O)NCc1nccc2ccccc12)C(=O)Nc1ccc2[nH]ncc2c1 Show InChI InChI=1S/C30H24FN7O3/c1-16-26(29(40)36-20-7-9-24-19(12-20)14-34-38-24)27(37-30(41)35-16)18-6-8-23(31)22(13-18)28(39)33-15-25-21-5-3-2-4-17(21)10-11-32-25/h2-14,27H,15H2,1H3,(H,33,39)(H,34,38)(H,36,40)(H2,35,37,41)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar	CHEMBL PC cid PC sid PDB UniChem Patents	US Patent	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
The Regents of the University of Michigan US Patent					Assay Description Rho-associated coiled-coil kinase (ROCK) assays were performed with the ADP-Glo system using 0.1 μg ROCK1 and 1 μg S6K substrate, and 100 &...				US Patent US10023564 (2018) BindingDB Entry DOI: 10.7270/Q2V126V5
					More data for this Ligand-Target Pair
Rho-associated protein kinase 1 (Homo sapiens (Human))	BDBM50173315 (CHEMBL3809100 | US10023564, Example 4) Show SMILES CC1=C(C(NC(=O)N1)c1ccc(F)c(c1)C(=O)NCc1cccc(F)c1)C(=O)Nc1ccc2[nH]ncc2c1 Show InChI InChI=1S/C27H22F2N6O3/c1-14-23(26(37)33-19-6-8-22-17(10-19)13-31-35-22)24(34-27(38)32-14)16-5-7-21(29)20(11-16)25(36)30-12-15-3-2-4-18(28)9-15/h2-11,13,24H,12H2,1H3,(H,30,36)(H,31,35)(H,33,37)(H2,32,34,38)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar	CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
The Regents of the University of Michigan US Patent					Assay Description Rho-associated coiled-coil kinase (ROCK) assays were performed with the ADP-Glo system using 0.1 μg ROCK1 and 1 μg S6K substrate, and 100 &...				US Patent US10023564 (2018) BindingDB Entry DOI: 10.7270/Q2V126V5
					More data for this Ligand-Target Pair
Rho-associated protein kinase 1 (Homo sapiens (Human))	BDBM50173305 (CHEMBL3810107 | US10023564, Example 3) Show SMILES CC1=C(C(NC(=O)N1)c1ccc(F)c(c1)C(=O)NCCc1ccccn1)C(=O)Nc1ccc2[nH]ncc2c1 Show InChI InChI=1S/C27H24FN7O3/c1-15-23(26(37)33-19-6-8-22-17(12-19)14-31-35-22)24(34-27(38)32-15)16-5-7-21(28)20(13-16)25(36)30-11-9-18-4-2-3-10-29-18/h2-8,10,12-14,24H,9,11H2,1H3,(H,30,36)(H,31,35)(H,33,37)(H2,32,34,38)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar	CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
The Regents of the University of Michigan US Patent					Assay Description Rho-associated coiled-coil kinase (ROCK) assays were performed with the ADP-Glo system using 0.1 μg ROCK1 and 1 μg S6K substrate, and 100 &...				US Patent US10023564 (2018) BindingDB Entry DOI: 10.7270/Q2V126V5
					More data for this Ligand-Target Pair
Rho-associated protein kinase 1 (Homo sapiens (Human))	BDBM50173311 (CHEMBL3810073 | US10023564, Example 6) Show SMILES COc1ccc(CNC(=O)c2cc(ccc2F)C2NC(=O)NC(C)=C2C(=O)Nc2ccc3[nH]ncc3c2)cc1 Show InChI InChI=1S/C28H25FN6O4/c1-15-24(27(37)33-19-6-10-23-18(11-19)14-31-35-23)25(34-28(38)32-15)17-5-9-22(29)21(12-17)26(36)30-13-16-3-7-20(39-2)8-4-16/h3-12,14,25H,13H2,1-2H3,(H,30,36)(H,31,35)(H,33,37)(H2,32,34,38)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar	CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
The Regents of the University of Michigan US Patent					Assay Description Rho-associated coiled-coil kinase (ROCK) assays were performed with the ADP-Glo system using 0.1 μg ROCK1 and 1 μg S6K substrate, and 100 &...				US Patent US10023564 (2018) BindingDB Entry DOI: 10.7270/Q2V126V5
					More data for this Ligand-Target Pair
Rho-associated protein kinase 1 (Homo sapiens (Human))	BDBM50173325 (CHEMBL3809965 | US10023564, Example 5) Show SMILES COc1ccccc1CNC(=O)c1cc(ccc1F)C1NC(=O)NC(C)=C1C(=O)Nc1ccc2[nH]ncc2c1 Show InChI InChI=1S/C28H25FN6O4/c1-15-24(27(37)33-19-8-10-22-18(11-19)14-31-35-22)25(34-28(38)32-15)16-7-9-21(29)20(12-16)26(36)30-13-17-5-3-4-6-23(17)39-2/h3-12,14,25H,13H2,1-2H3,(H,30,36)(H,31,35)(H,33,37)(H2,32,34,38)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar	CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	57	n/a	n/a	n/a	n/a	n/a	n/a
The Regents of the University of Michigan US Patent					Assay Description Rho-associated coiled-coil kinase (ROCK) assays were performed with the ADP-Glo system using 0.1 μg ROCK1 and 1 μg S6K substrate, and 100 &...				US Patent US10023564 (2018) BindingDB Entry DOI: 10.7270/Q2V126V5
					More data for this Ligand-Target Pair
Beta-adrenergic receptor kinase 1 (Homo sapiens (Human))	BDBM50173325 (CHEMBL3809965 | US10023564, Example 5) Show SMILES COc1ccccc1CNC(=O)c1cc(ccc1F)C1NC(=O)NC(C)=C1C(=O)Nc1ccc2[nH]ncc2c1 Show InChI InChI=1S/C28H25FN6O4/c1-15-24(27(37)33-19-8-10-22-18(11-19)14-31-35-22)25(34-28(38)32-15)16-7-9-21(29)20(12-16)26(36)30-13-17-5-3-4-6-23(17)39-2/h3-12,14,25H,13H2,1-2H3,(H,30,36)(H,31,35)(H,33,37)(H2,32,34,38)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar	CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	60	n/a	n/a	n/a	n/a	7.0	n/a
The Regents of the University of Michigan US Patent					Assay Description GRK1, 2 and 5 kinetic assays were conducted in a buffer containing 20 mM HEPES pH 7.0, 5 μM ATP, 2 mM MgCl2, and 0.025% DDM with 50 nM GRK and e...				US Patent US10023564 (2018) BindingDB Entry DOI: 10.7270/Q2V126V5
					More data for this Ligand-Target Pair
Rho-associated protein kinase 1 (Homo sapiens (Human))	BDBM50173323 (CHEMBL3808621 | US10023564, Example 2) Show SMILES CC1=C(C(NC(=O)N1)c1ccc(F)c(c1)C(=O)NCc1c(F)cccc1F)C(=O)Nc1ccc2[nH]ncc2c1 Show InChI InChI=1S/C27H21F3N6O3/c1-13-23(26(38)34-16-6-8-22-15(9-16)11-32-36-22)24(35-27(39)33-13)14-5-7-21(30)17(10-14)25(37)31-12-18-19(28)3-2-4-20(18)29/h2-11,24H,12H2,1H3,(H,31,37)(H,32,36)(H,34,38)(H2,33,35,39)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	61	n/a	n/a	n/a	n/a	n/a	n/a
The Regents of the University of Michigan US Patent					Assay Description Rho-associated coiled-coil kinase (ROCK) assays were performed with the ADP-Glo system using 0.1 μg ROCK1 and 1 μg S6K substrate, and 100 &...				US Patent US10023564 (2018) BindingDB Entry DOI: 10.7270/Q2V126V5
					More data for this Ligand-Target Pair
Rho-associated protein kinase 1 (Homo sapiens (Human))	BDBM50173314 (CHEMBL3808840 | US10023564, Example 16) Show SMILES CC1=C(C(NC(=O)N1)c1ccc(F)c(c1)C(=O)NCc1ccccc1)C(=O)Nc1ccc2[nH]ncc2c1 Show InChI InChI=1S/C27H23FN6O3/c1-15-23(26(36)32-19-8-10-22-18(11-19)14-30-34-22)24(33-27(37)31-15)17-7-9-21(28)20(12-17)25(35)29-13-16-5-3-2-4-6-16/h2-12,14,24H,13H2,1H3,(H,29,35)(H,30,34)(H,32,36)(H2,31,33,37)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar	CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	69	n/a	n/a	n/a	n/a	n/a	n/a
The Regents of the University of Michigan US Patent					Assay Description Rho-associated coiled-coil kinase (ROCK) assays were performed with the ADP-Glo system using 0.1 μg ROCK1 and 1 μg S6K substrate, and 100 &...				US Patent US10023564 (2018) BindingDB Entry DOI: 10.7270/Q2V126V5
					More data for this Ligand-Target Pair
Rhodopsin kinase (Homo sapiens (Human))	BDBM50173307 (CHEMBL3809796 | US10023564, Example 8) Show SMILES CC1=C(C(NC(=O)N1)c1ccc(F)c(c1)C(=O)NCc1nccc2ccccc12)C(=O)Nc1ccc2[nH]ncc2c1 Show InChI InChI=1S/C30H24FN7O3/c1-16-26(29(40)36-20-7-9-24-19(12-20)14-34-38-24)27(37-30(41)35-16)18-6-8-23(31)22(13-18)28(39)33-15-25-21-5-3-2-4-17(21)10-11-32-25/h2-14,27H,15H2,1H3,(H,33,39)(H,34,38)(H,36,40)(H2,35,37,41)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar	CHEMBL PC cid PC sid PDB UniChem Patents	US Patent	n/a	n/a	70	n/a	n/a	n/a	n/a	7.0	n/a
The Regents of the University of Michigan US Patent					Assay Description GRK1, 2 and 5 kinetic assays were conducted in a buffer containing 20 mM HEPES pH 7.0, 5 μM ATP, 2 mM MgCl2, and 0.025% DDM with 50 nM GRK and e...				US Patent US10023564 (2018) BindingDB Entry DOI: 10.7270/Q2V126V5
					More data for this Ligand-Target Pair
Beta-adrenergic receptor kinase 1 (Homo sapiens (Human))	BDBM50173309 (CHEMBL3809913 | US10023564, Example 10) Show SMILES CC1=C(C(NC(=O)N1)c1ccc(F)c(c1)C(=O)NCc1c(C)cccc1C)C(=O)Nc1ccc2[nH]ncc2c1 Show InChI InChI=1S/C29H27FN6O3/c1-15-5-4-6-16(2)22(15)14-31-27(37)21-12-18(7-9-23(21)30)26-25(17(3)33-29(39)35-26)28(38)34-20-8-10-24-19(11-20)13-32-36-24/h4-13,26H,14H2,1-3H3,(H,31,37)(H,32,36)(H,34,38)(H2,33,35,39)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar	CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	70	n/a	n/a	n/a	n/a	7.0	n/a
The Regents of the University of Michigan US Patent					Assay Description GRK1, 2 and 5 kinetic assays were conducted in a buffer containing 20 mM HEPES pH 7.0, 5 μM ATP, 2 mM MgCl2, and 0.025% DDM with 50 nM GRK and e...				US Patent US10023564 (2018) BindingDB Entry DOI: 10.7270/Q2V126V5
					More data for this Ligand-Target Pair
Rho-associated protein kinase 1 (Homo sapiens (Human))	BDBM50173320 (GSK-180736A | GSK180736A | US10023564, Compound GS...) Show SMILES CC1=C(C(NC(=O)N1)c1ccc(F)cc1)C(=O)Nc1ccc2[nH]ncc2c1 Show InChI InChI=1S/C19H16FN5O2/c1-10-16(17(24-19(27)22-10)11-2-4-13(20)5-3-11)18(26)23-14-6-7-15-12(8-14)9-21-25-15/h2-9,17H,1H3,(H,21,25)(H,23,26)(H2,22,24,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	78	n/a	n/a	n/a	n/a	n/a	n/a
The Regents of the University of Michigan US Patent					Assay Description Rho-associated coiled-coil kinase (ROCK) assays were performed with the ADP-Glo system using 0.1 μg ROCK1 and 1 μg S6K substrate, and 100 &...				US Patent US10023564 (2018) BindingDB Entry DOI: 10.7270/Q2V126V5
					More data for this Ligand-Target Pair
Rho-associated protein kinase 1 (Homo sapiens (Human))	BDBM50173312 (CHEMBL3810312 | US10023564, Example 18) Show SMILES COc1cccc(CNC(=O)c2cc(ccc2F)C2NC(=O)NC(C)=C2C(=O)Nc2ccc3[nH]ncc3c2)c1 Show InChI InChI=1S/C28H25FN6O4/c1-15-24(27(37)33-19-7-9-23-18(11-19)14-31-35-23)25(34-28(38)32-15)17-6-8-22(29)21(12-17)26(36)30-13-16-4-3-5-20(10-16)39-2/h3-12,14,25H,13H2,1-2H3,(H,30,36)(H,31,35)(H,33,37)(H2,32,34,38)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	97	n/a	n/a	n/a	n/a	n/a	n/a
The Regents of the University of Michigan US Patent					Assay Description Rho-associated coiled-coil kinase (ROCK) assays were performed with the ADP-Glo system using 0.1 μg ROCK1 and 1 μg S6K substrate, and 100 &...				US Patent US10023564 (2018) BindingDB Entry DOI: 10.7270/Q2V126V5
					More data for this Ligand-Target Pair
Beta-adrenergic receptor kinase 1 (Homo sapiens (Human))	BDBM50173323 (CHEMBL3808621 | US10023564, Example 2) Show SMILES CC1=C(C(NC(=O)N1)c1ccc(F)c(c1)C(=O)NCc1c(F)cccc1F)C(=O)Nc1ccc2[nH]ncc2c1 Show InChI InChI=1S/C27H21F3N6O3/c1-13-23(26(38)34-16-6-8-22-15(9-16)11-32-36-22)24(35-27(39)33-13)14-5-7-21(30)17(10-14)25(37)31-12-18-19(28)3-2-4-20(18)29/h2-11,24H,12H2,1H3,(H,31,37)(H,32,36)(H,34,38)(H2,33,35,39)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	120	n/a	n/a	n/a	n/a	7.0	n/a
The Regents of the University of Michigan US Patent					Assay Description GRK1, 2 and 5 kinetic assays were conducted in a buffer containing 20 mM HEPES pH 7.0, 5 μM ATP, 2 mM MgCl2, and 0.025% DDM with 50 nM GRK and e...				US Patent US10023564 (2018) BindingDB Entry DOI: 10.7270/Q2V126V5
					More data for this Ligand-Target Pair
Beta-adrenergic receptor kinase 1 (Homo sapiens (Human))	BDBM50173319 (CHEMBL3809020 | US10023564, Example 11) Show SMILES COc1cccc(OC)c1CNC(=O)c1cc(ccc1F)C1NC(=O)NC(C)=C1C(=O)Nc1ccc2[nH]ncc2c1 Show InChI InChI=1S/C29H27FN6O5/c1-15-25(28(38)34-18-8-10-22-17(11-18)13-32-36-22)26(35-29(39)33-15)16-7-9-21(30)19(12-16)27(37)31-14-20-23(40-2)5-4-6-24(20)41-3/h4-13,26H,14H2,1-3H3,(H,31,37)(H,32,36)(H,34,38)(H2,33,35,39)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar	CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB US Patent	n/a	n/a	130	n/a	n/a	n/a	n/a	7.0	n/a
The Regents of the University of Michigan US Patent					Assay Description GRK1, 2 and 5 kinetic assays were conducted in a buffer containing 20 mM HEPES pH 7.0, 5 μM ATP, 2 mM MgCl2, and 0.025% DDM with 50 nM GRK and e...				US Patent US10023564 (2018) BindingDB Entry DOI: 10.7270/Q2V126V5
					More data for this Ligand-Target Pair				3D Structure (crystal)
Beta-adrenergic receptor kinase 1 (Homo sapiens (Human))	BDBM50173308 (CHEMBL3810271 | US10023564, Example 9) Show SMILES CC1=C(C(NC(=O)N1)c1ccc(F)c(c1)C(=O)NCc1c(Cl)cccc1Cl)C(=O)Nc1ccc2[nH]ncc2c1 Show InChI InChI=1S/C27H21Cl2FN6O3/c1-13-23(26(38)34-16-6-8-22-15(9-16)11-32-36-22)24(35-27(39)33-13)14-5-7-21(30)17(10-14)25(37)31-12-18-19(28)3-2-4-20(18)29/h2-11,24H,12H2,1H3,(H,31,37)(H,32,36)(H,34,38)(H2,33,35,39)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	130	n/a	n/a	n/a	n/a	7.0	n/a
The Regents of the University of Michigan US Patent					Assay Description GRK1, 2 and 5 kinetic assays were conducted in a buffer containing 20 mM HEPES pH 7.0, 5 μM ATP, 2 mM MgCl2, and 0.025% DDM with 50 nM GRK and e...				US Patent US10023564 (2018) BindingDB Entry DOI: 10.7270/Q2V126V5
					More data for this Ligand-Target Pair
G protein-coupled receptor kinase 5 (Homo sapiens (Human))	BDBM283998 (E24 | US10023564, Example 24) Show SMILES COCc1noc(CNC(=O)c2cc(ccc2F)C2NC(=O)NC(C)=C2C(=O)Nc2ccc3[nH]ncc3c2)n1 Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar	PC cid PC sid UniChem	US Patent	n/a	n/a	140	n/a	n/a	n/a	n/a	7.0	n/a
The Regents of the University of Michigan US Patent					Assay Description GRK1, 2 and 5 kinetic assays were conducted in a buffer containing 20 mM HEPES pH 7.0, 5 μM ATP, 2 mM MgCl2, and 0.025% DDM with 50 nM GRK and e...				US Patent US10023564 (2018) BindingDB Entry DOI: 10.7270/Q2V126V5
					More data for this Ligand-Target Pair
Beta-adrenergic receptor kinase 1 (Homo sapiens (Human))	BDBM50173310 (CHEMBL3808660 | US10023564, Example 1) Show SMILES CC1=C(C(NC(=O)N1)c1ccc(F)c(c1)C(=O)NCc1ccccn1)C(=O)Nc1ccc2[nH]ncc2c1 Show InChI InChI=1S/C26H22FN7O3/c1-14-22(25(36)32-17-6-8-21-16(10-17)12-30-34-21)23(33-26(37)31-14)15-5-7-20(27)19(11-15)24(35)29-13-18-4-2-3-9-28-18/h2-12,23H,13H2,1H3,(H,29,35)(H,30,34)(H,32,36)(H2,31,33,37)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar	CHEMBL PC cid PC sid PDB UniChem Patents	PDB US Patent	n/a	n/a	150	n/a	n/a	n/a	n/a	7.0	n/a
The Regents of the University of Michigan US Patent					Assay Description GRK1, 2 and 5 kinetic assays were conducted in a buffer containing 20 mM HEPES pH 7.0, 5 μM ATP, 2 mM MgCl2, and 0.025% DDM with 50 nM GRK and e...				US Patent US10023564 (2018) BindingDB Entry DOI: 10.7270/Q2V126V5
					More data for this Ligand-Target Pair				3D Structure (crystal)
Rho-associated protein kinase 1 (Homo sapiens (Human))	BDBM50173329 (CHEMBL3809697 | US10023564, Example 15) Show SMILES CC1=C(C(NC(=O)N1)c1ccc(F)c(c1)C(=O)NCc1ncccc1C)C(=O)Nc1ccc2[nH]ncc2c1 Show InChI InChI=1S/C27H24FN7O3/c1-14-4-3-9-29-22(14)13-30-25(36)19-11-16(5-7-20(19)28)24-23(15(2)32-27(38)34-24)26(37)33-18-6-8-21-17(10-18)12-31-35-21/h3-12,24H,13H2,1-2H3,(H,30,36)(H,31,35)(H,33,37)(H2,32,34,38)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar	CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
The Regents of the University of Michigan US Patent					Assay Description Rho-associated coiled-coil kinase (ROCK) assays were performed with the ADP-Glo system using 0.1 μg ROCK1 and 1 μg S6K substrate, and 100 &...				US Patent US10023564 (2018) BindingDB Entry DOI: 10.7270/Q2V126V5
					More data for this Ligand-Target Pair
Beta-adrenergic receptor kinase 1 (Homo sapiens (Human))	BDBM283996 (E22 | US10023564, Example 22) Show SMILES CCc1nc(CNC(=O)c2cc(ccc2F)C2NC(=O)NC(C)=C2C(=O)Nc2ccc3[nH]ncc3c2)no1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar	PC cid PC sid UniChem	US Patent	n/a	n/a	180	n/a	n/a	n/a	n/a	7.0	n/a
The Regents of the University of Michigan US Patent					Assay Description GRK1, 2 and 5 kinetic assays were conducted in a buffer containing 20 mM HEPES pH 7.0, 5 μM ATP, 2 mM MgCl2, and 0.025% DDM with 50 nM GRK and e...				US Patent US10023564 (2018) BindingDB Entry DOI: 10.7270/Q2V126V5
					More data for this Ligand-Target Pair
Rho-associated protein kinase 1 (Homo sapiens (Human))	BDBM50173317 (CHEMBL3810349 | US10023564, Example 12) Show SMILES CNC(=O)c1cc(ccc1F)C1NC(=O)NC(C)=C1C(=O)Nc1ccc2[nH]ncc2c1 Show InChI InChI=1S/C21H19FN6O3/c1-10-17(20(30)26-13-4-6-16-12(7-13)9-24-28-16)18(27-21(31)25-10)11-3-5-15(22)14(8-11)19(29)23-2/h3-9,18H,1-2H3,(H,23,29)(H,24,28)(H,26,30)(H2,25,27,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar	CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	190	n/a	n/a	n/a	n/a	n/a	n/a
The Regents of the University of Michigan US Patent					Assay Description Rho-associated coiled-coil kinase (ROCK) assays were performed with the ADP-Glo system using 0.1 μg ROCK1 and 1 μg S6K substrate, and 100 &...				US Patent US10023564 (2018) BindingDB Entry DOI: 10.7270/Q2V126V5
					More data for this Ligand-Target Pair
Beta-adrenergic receptor kinase 1 (Homo sapiens (Human))	BDBM50173315 (CHEMBL3809100 | US10023564, Example 4) Show SMILES CC1=C(C(NC(=O)N1)c1ccc(F)c(c1)C(=O)NCc1cccc(F)c1)C(=O)Nc1ccc2[nH]ncc2c1 Show InChI InChI=1S/C27H22F2N6O3/c1-14-23(26(37)33-19-6-8-22-17(10-19)13-31-35-22)24(34-27(38)32-14)16-5-7-21(29)20(11-16)25(36)30-12-15-3-2-4-18(28)9-15/h2-11,13,24H,12H2,1H3,(H,30,36)(H,31,35)(H,33,37)(H2,32,34,38)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar	CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	200	n/a	n/a	n/a	n/a	7.0	n/a
The Regents of the University of Michigan US Patent					Assay Description GRK1, 2 and 5 kinetic assays were conducted in a buffer containing 20 mM HEPES pH 7.0, 5 μM ATP, 2 mM MgCl2, and 0.025% DDM with 50 nM GRK and e...				US Patent US10023564 (2018) BindingDB Entry DOI: 10.7270/Q2V126V5
					More data for this Ligand-Target Pair
Rho-associated protein kinase 1 (Homo sapiens (Human))	BDBM50173324 (CHEMBL3809124 | US10023564, Example 30) Show SMILES COc1cccc(OC)c1CNC(=O)Cc1cc(ccc1F)C1NC(=O)NC(C)=C1C(=O)Nc1ccc2[nH]ncc2c1 Show InChI InChI=1S/C30H29FN6O5/c1-16-27(29(39)35-20-8-10-23-19(12-20)14-33-37-23)28(36-30(40)34-16)17-7-9-22(31)18(11-17)13-26(38)32-15-21-24(41-2)5-4-6-25(21)42-3/h4-12,14,28H,13,15H2,1-3H3,(H,32,38)(H,33,37)(H,35,39)(H2,34,36,40)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar	CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
The Regents of the University of Michigan US Patent					Assay Description Rho-associated coiled-coil kinase (ROCK) assays were performed with the ADP-Glo system using 0.1 μg ROCK1 and 1 μg S6K substrate, and 100 &...				US Patent US10023564 (2018) BindingDB Entry DOI: 10.7270/Q2V126V5
					More data for this Ligand-Target Pair
Beta-adrenergic receptor kinase 1 (Homo sapiens (Human))	BDBM50173328 (CHEMBL3808918 | US10023564, Example 14) Show SMILES CC1=C(C(NC(=O)N1)c1ccc(F)c(c1)C(=O)NCCc1c(C)cccc1C)C(=O)Nc1ccc2[nH]ncc2c1 Show InChI InChI=1S/C30H29FN6O3/c1-16-5-4-6-17(2)22(16)11-12-32-28(38)23-14-19(7-9-24(23)31)27-26(18(3)34-30(40)36-27)29(39)35-21-8-10-25-20(13-21)15-33-37-25/h4-10,13-15,27H,11-12H2,1-3H3,(H,32,38)(H,33,37)(H,35,39)(H2,34,36,40)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar	CHEMBL PC cid PC sid PDB UniChem Similars	PDB US Patent	n/a	n/a	230	n/a	n/a	n/a	n/a	7.0	n/a
The Regents of the University of Michigan US Patent					Assay Description GRK1, 2 and 5 kinetic assays were conducted in a buffer containing 20 mM HEPES pH 7.0, 5 μM ATP, 2 mM MgCl2, and 0.025% DDM with 50 nM GRK and e...				US Patent US10023564 (2018) BindingDB Entry DOI: 10.7270/Q2V126V5
					More data for this Ligand-Target Pair				3D Structure (crystal)
Beta-adrenergic receptor kinase 1 (Homo sapiens (Human))	BDBM283998 (E24 | US10023564, Example 24) Show SMILES COCc1noc(CNC(=O)c2cc(ccc2F)C2NC(=O)NC(C)=C2C(=O)Nc2ccc3[nH]ncc3c2)n1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar	PC cid PC sid UniChem	US Patent	n/a	n/a	240	n/a	n/a	n/a	n/a	7.0	n/a
The Regents of the University of Michigan US Patent					Assay Description GRK1, 2 and 5 kinetic assays were conducted in a buffer containing 20 mM HEPES pH 7.0, 5 μM ATP, 2 mM MgCl2, and 0.025% DDM with 50 nM GRK and e...				US Patent US10023564 (2018) BindingDB Entry DOI: 10.7270/Q2V126V5
					More data for this Ligand-Target Pair
Beta-adrenergic receptor kinase 1 (Homo sapiens (Human))	BDBM50173305 (CHEMBL3810107 | US10023564, Example 3) Show SMILES CC1=C(C(NC(=O)N1)c1ccc(F)c(c1)C(=O)NCCc1ccccn1)C(=O)Nc1ccc2[nH]ncc2c1 Show InChI InChI=1S/C27H24FN7O3/c1-15-23(26(37)33-19-6-8-22-17(12-19)14-31-35-22)24(34-27(38)32-15)16-5-7-21(28)20(13-16)25(36)30-11-9-18-4-2-3-10-29-18/h2-8,10,12-14,24H,9,11H2,1H3,(H,30,36)(H,31,35)(H,33,37)(H2,32,34,38)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar	CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	280	n/a	n/a	n/a	n/a	7.0	n/a
The Regents of the University of Michigan US Patent					Assay Description GRK1, 2 and 5 kinetic assays were conducted in a buffer containing 20 mM HEPES pH 7.0, 5 μM ATP, 2 mM MgCl2, and 0.025% DDM with 50 nM GRK and e...				US Patent US10023564 (2018) BindingDB Entry DOI: 10.7270/Q2V126V5
					More data for this Ligand-Target Pair
Rho-associated protein kinase 1 (Homo sapiens (Human))	BDBM50173328 (CHEMBL3808918 | US10023564, Example 14) Show SMILES CC1=C(C(NC(=O)N1)c1ccc(F)c(c1)C(=O)NCCc1c(C)cccc1C)C(=O)Nc1ccc2[nH]ncc2c1 Show InChI InChI=1S/C30H29FN6O3/c1-16-5-4-6-17(2)22(16)11-12-32-28(38)23-14-19(7-9-24(23)31)27-26(18(3)34-30(40)36-27)29(39)35-21-8-10-25-20(13-21)15-33-37-25/h4-10,13-15,27H,11-12H2,1-3H3,(H,32,38)(H,33,37)(H,35,39)(H2,34,36,40)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar	CHEMBL PC cid PC sid PDB UniChem Similars	US Patent	n/a	n/a	290	n/a	n/a	n/a	n/a	n/a	n/a
The Regents of the University of Michigan US Patent					Assay Description Rho-associated coiled-coil kinase (ROCK) assays were performed with the ADP-Glo system using 0.1 μg ROCK1 and 1 μg S6K substrate, and 100 &...				US Patent US10023564 (2018) BindingDB Entry DOI: 10.7270/Q2V126V5
					More data for this Ligand-Target Pair
Beta-adrenergic receptor kinase 1 (Homo sapiens (Human))	BDBM284001 (E27 | US10023564, Example 27) Show SMILES COc1ccccc1C(C)NC(=O)c1cc(ccc1F)C1NC(=O)NC(C)=C1C(=O)Nc1ccc2[nH]ncc2c1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar	PC cid PC sid UniChem	US Patent	n/a	n/a	320	n/a	n/a	n/a	n/a	7.0	n/a
The Regents of the University of Michigan US Patent					Assay Description GRK1, 2 and 5 kinetic assays were conducted in a buffer containing 20 mM HEPES pH 7.0, 5 μM ATP, 2 mM MgCl2, and 0.025% DDM with 50 nM GRK and e...				US Patent US10023564 (2018) BindingDB Entry DOI: 10.7270/Q2V126V5
					More data for this Ligand-Target Pair
G protein-coupled receptor kinase 5 (Homo sapiens (Human))	BDBM50173310 (CHEMBL3808660 | US10023564, Example 1) Show SMILES CC1=C(C(NC(=O)N1)c1ccc(F)c(c1)C(=O)NCc1ccccn1)C(=O)Nc1ccc2[nH]ncc2c1 Show InChI InChI=1S/C26H22FN7O3/c1-14-22(25(36)32-17-6-8-21-16(10-17)12-30-34-21)23(33-26(37)31-14)15-5-7-20(27)19(11-15)24(35)29-13-18-4-2-3-9-28-18/h2-12,23H,13H2,1H3,(H,29,35)(H,30,34)(H,32,36)(H2,31,33,37)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar	CHEMBL PC cid PC sid PDB UniChem Patents	PDB US Patent	n/a	n/a	380	n/a	n/a	n/a	n/a	7.0	n/a
The Regents of the University of Michigan US Patent					Assay Description GRK1, 2 and 5 kinetic assays were conducted in a buffer containing 20 mM HEPES pH 7.0, 5 μM ATP, 2 mM MgCl2, and 0.025% DDM with 50 nM GRK and e...				US Patent US10023564 (2018) BindingDB Entry DOI: 10.7270/Q2V126V5
					More data for this Ligand-Target Pair				3D Structure (crystal)
Rho-associated protein kinase 1 (Homo sapiens (Human))	BDBM50173326 (CHEMBL3809604 | US10023564, Example 29) Show SMILES CC1=C(C(NC(=O)N1)c1ccc(F)c(CC(=O)NCc2c(cccc2C(F)(F)F)C(F)(F)F)c1)C(=O)Nc1ccc2[nH]ncc2c1 Show InChI InChI=1S/C30H23F7N6O3/c1-14-25(27(45)41-18-6-8-23-17(10-18)12-39-43-23)26(42-28(46)40-14)15-5-7-22(31)16(9-15)11-24(44)38-13-19-20(29(32,33)34)3-2-4-21(19)30(35,36)37/h2-10,12,26H,11,13H2,1H3,(H,38,44)(H,39,43)(H,41,45)(H2,40,42,46)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar	CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
The Regents of the University of Michigan US Patent					Assay Description Rho-associated coiled-coil kinase (ROCK) assays were performed with the ADP-Glo system using 0.1 μg ROCK1 and 1 μg S6K substrate, and 100 &...				US Patent US10023564 (2018) BindingDB Entry DOI: 10.7270/Q2V126V5
					More data for this Ligand-Target Pair
G protein-coupled receptor kinase 5 (Homo sapiens (Human))	BDBM283996 (E22 | US10023564, Example 22) Show SMILES CCc1nc(CNC(=O)c2cc(ccc2F)C2NC(=O)NC(C)=C2C(=O)Nc2ccc3[nH]ncc3c2)no1 Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar	PC cid PC sid UniChem	US Patent	n/a	n/a	410	n/a	n/a	n/a	n/a	7.0	n/a
The Regents of the University of Michigan US Patent					Assay Description GRK1, 2 and 5 kinetic assays were conducted in a buffer containing 20 mM HEPES pH 7.0, 5 μM ATP, 2 mM MgCl2, and 0.025% DDM with 50 nM GRK and e...				US Patent US10023564 (2018) BindingDB Entry DOI: 10.7270/Q2V126V5
					More data for this Ligand-Target Pair
Beta-adrenergic receptor kinase 1 (Homo sapiens (Human))	BDBM50173312 (CHEMBL3810312 | US10023564, Example 18) Show SMILES COc1cccc(CNC(=O)c2cc(ccc2F)C2NC(=O)NC(C)=C2C(=O)Nc2ccc3[nH]ncc3c2)c1 Show InChI InChI=1S/C28H25FN6O4/c1-15-24(27(37)33-19-7-9-23-18(11-19)14-31-35-23)25(34-28(38)32-15)17-6-8-22(29)21(12-17)26(36)30-13-16-4-3-5-20(10-16)39-2/h3-12,14,25H,13H2,1-2H3,(H,30,36)(H,31,35)(H,33,37)(H2,32,34,38)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	420	n/a	n/a	n/a	n/a	7.0	n/a
The Regents of the University of Michigan US Patent					Assay Description GRK1, 2 and 5 kinetic assays were conducted in a buffer containing 20 mM HEPES pH 7.0, 5 μM ATP, 2 mM MgCl2, and 0.025% DDM with 50 nM GRK and e...				US Patent US10023564 (2018) BindingDB Entry DOI: 10.7270/Q2V126V5
					More data for this Ligand-Target Pair
Beta-adrenergic receptor kinase 1 (Homo sapiens (Human))	BDBM50173324 (CHEMBL3809124 | US10023564, Example 30) Show SMILES COc1cccc(OC)c1CNC(=O)Cc1cc(ccc1F)C1NC(=O)NC(C)=C1C(=O)Nc1ccc2[nH]ncc2c1 Show InChI InChI=1S/C30H29FN6O5/c1-16-27(29(39)35-20-8-10-23-19(12-20)14-33-37-23)28(36-30(40)34-16)17-7-9-22(31)18(11-17)13-26(38)32-15-21-24(41-2)5-4-6-25(21)42-3/h4-12,14,28H,13,15H2,1-3H3,(H,32,38)(H,33,37)(H,35,39)(H2,34,36,40)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar	CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	450	n/a	n/a	n/a	n/a	7.0	n/a
The Regents of the University of Michigan US Patent					Assay Description GRK1, 2 and 5 kinetic assays were conducted in a buffer containing 20 mM HEPES pH 7.0, 5 μM ATP, 2 mM MgCl2, and 0.025% DDM with 50 nM GRK and e...				US Patent US10023564 (2018) BindingDB Entry DOI: 10.7270/Q2V126V5
					More data for this Ligand-Target Pair
Rho-associated protein kinase 1 (Homo sapiens (Human))	BDBM50173327 (CHEMBL3808499 | US10023564, Example 28) Show SMILES CC1=C(C(NC(=O)N1)c1ccc(F)c(CC(=O)NCc2c(C)cccc2C)c1)C(=O)Nc1ccc2[nH]ncc2c1 Show InChI InChI=1S/C30H29FN6O3/c1-16-5-4-6-17(2)23(16)15-32-26(38)13-20-11-19(7-9-24(20)31)28-27(18(3)34-30(40)36-28)29(39)35-22-8-10-25-21(12-22)14-33-37-25/h4-12,14,28H,13,15H2,1-3H3,(H,32,38)(H,33,37)(H,35,39)(H2,34,36,40)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar	CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	450	n/a	n/a	n/a	n/a	n/a	n/a
The Regents of the University of Michigan US Patent					Assay Description Rho-associated coiled-coil kinase (ROCK) assays were performed with the ADP-Glo system using 0.1 μg ROCK1 and 1 μg S6K substrate, and 100 &...				US Patent US10023564 (2018) BindingDB Entry DOI: 10.7270/Q2V126V5
					More data for this Ligand-Target Pair
Beta-adrenergic receptor kinase 1 (Homo sapiens (Human))	BDBM50173311 (CHEMBL3810073 | US10023564, Example 6) Show SMILES COc1ccc(CNC(=O)c2cc(ccc2F)C2NC(=O)NC(C)=C2C(=O)Nc2ccc3[nH]ncc3c2)cc1 Show InChI InChI=1S/C28H25FN6O4/c1-15-24(27(37)33-19-6-10-23-18(11-19)14-31-35-23)25(34-28(38)32-15)17-5-9-22(29)21(12-17)26(36)30-13-16-3-7-20(39-2)8-4-16/h3-12,14,25H,13H2,1-2H3,(H,30,36)(H,31,35)(H,33,37)(H2,32,34,38)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar	CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	460	n/a	n/a	n/a	n/a	7.0	n/a
The Regents of the University of Michigan US Patent					Assay Description GRK1, 2 and 5 kinetic assays were conducted in a buffer containing 20 mM HEPES pH 7.0, 5 μM ATP, 2 mM MgCl2, and 0.025% DDM with 50 nM GRK and e...				US Patent US10023564 (2018) BindingDB Entry DOI: 10.7270/Q2V126V5
					More data for this Ligand-Target Pair
Beta-adrenergic receptor kinase 1 (Homo sapiens (Human))	BDBM284006 (E32 | US10023564, Example 32) Show SMILES CC1=C(C(NC(=O)N1)c1ccc(F)c(CC(=O)N(CCO)Cc2ccco2)c1)C(=O)Nc1ccc2[nH]ncc2c1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar	PC cid PC sid UniChem	US Patent	n/a	n/a	500	n/a	n/a	n/a	n/a	7.0	n/a
The Regents of the University of Michigan US Patent					Assay Description GRK1, 2 and 5 kinetic assays were conducted in a buffer containing 20 mM HEPES pH 7.0, 5 μM ATP, 2 mM MgCl2, and 0.025% DDM with 50 nM GRK and e...				US Patent US10023564 (2018) BindingDB Entry DOI: 10.7270/Q2V126V5
					More data for this Ligand-Target Pair
Beta-adrenergic receptor kinase 1 (Homo sapiens (Human))	BDBM284007 (E33 | US10023564, Example 33) Show SMILES CC1=C(C(NC(=O)N1)c1ccc(F)c(CC(=O)NCC2CCN(CC2)C2CC2)c1)C(=O)Nc1ccc2[nH]ncc2c1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar	PC cid PC sid UniChem	US Patent	n/a	n/a	680	n/a	n/a	n/a	n/a	7.0	n/a
The Regents of the University of Michigan US Patent					Assay Description GRK1, 2 and 5 kinetic assays were conducted in a buffer containing 20 mM HEPES pH 7.0, 5 μM ATP, 2 mM MgCl2, and 0.025% DDM with 50 nM GRK and e...				US Patent US10023564 (2018) BindingDB Entry DOI: 10.7270/Q2V126V5
					More data for this Ligand-Target Pair
Beta-adrenergic receptor kinase 1 (Homo sapiens (Human))	BDBM50173314 (CHEMBL3808840 | US10023564, Example 16) Show SMILES CC1=C(C(NC(=O)N1)c1ccc(F)c(c1)C(=O)NCc1ccccc1)C(=O)Nc1ccc2[nH]ncc2c1 Show InChI InChI=1S/C27H23FN6O3/c1-15-23(26(36)32-19-8-10-22-18(11-19)14-30-34-22)24(33-27(37)31-15)17-7-9-21(28)20(12-17)25(35)29-13-16-5-3-2-4-6-16/h2-12,14,24H,13H2,1H3,(H,29,35)(H,30,34)(H,32,36)(H2,31,33,37)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar	CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	690	n/a	n/a	n/a	n/a	7.0	n/a
The Regents of the University of Michigan US Patent					Assay Description GRK1, 2 and 5 kinetic assays were conducted in a buffer containing 20 mM HEPES pH 7.0, 5 μM ATP, 2 mM MgCl2, and 0.025% DDM with 50 nM GRK and e...				US Patent US10023564 (2018) BindingDB Entry DOI: 10.7270/Q2V126V5
					More data for this Ligand-Target Pair
Beta-adrenergic receptor kinase 1 (Homo sapiens (Human))	BDBM283994 (E20 | US10023564, Example 20) Show SMILES CC(CNC(=O)c1cc(ccc1F)C1NC(=O)NC(C)=C1C(=O)Nc1ccc2[nH]ncc2c1)N1CCCCCC1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar	PC cid PC sid UniChem	US Patent	n/a	n/a	740	n/a	n/a	n/a	n/a	7.0	n/a
The Regents of the University of Michigan US Patent					Assay Description GRK1, 2 and 5 kinetic assays were conducted in a buffer containing 20 mM HEPES pH 7.0, 5 μM ATP, 2 mM MgCl2, and 0.025% DDM with 50 nM GRK and e...				US Patent US10023564 (2018) BindingDB Entry DOI: 10.7270/Q2V126V5
					More data for this Ligand-Target Pair
Beta-adrenergic receptor kinase 1 (Homo sapiens (Human))	BDBM50173320 (GSK-180736A | GSK180736A | US10023564, Compound GS...) Show SMILES CC1=C(C(NC(=O)N1)c1ccc(F)cc1)C(=O)Nc1ccc2[nH]ncc2c1 Show InChI InChI=1S/C19H16FN5O2/c1-10-16(17(24-19(27)22-10)11-2-4-13(20)5-3-11)18(26)23-14-6-7-15-12(8-14)9-21-25-15/h2-9,17H,1H3,(H,21,25)(H,23,26)(H2,22,24,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	770	n/a	n/a	n/a	n/a	7.0	n/a
The Regents of the University of Michigan US Patent					Assay Description GRK1, 2 and 5 kinetic assays were conducted in a buffer containing 20 mM HEPES pH 7.0, 5 μM ATP, 2 mM MgCl2, and 0.025% DDM with 50 nM GRK and e...				US Patent US10023564 (2018) BindingDB Entry DOI: 10.7270/Q2V126V5
					More data for this Ligand-Target Pair
G protein-coupled receptor kinase 5 (Homo sapiens (Human))	BDBM50173315 (CHEMBL3809100 | US10023564, Example 4) Show SMILES CC1=C(C(NC(=O)N1)c1ccc(F)c(c1)C(=O)NCc1cccc(F)c1)C(=O)Nc1ccc2[nH]ncc2c1 Show InChI InChI=1S/C27H22F2N6O3/c1-14-23(26(37)33-19-6-8-22-17(10-19)13-31-35-22)24(34-27(38)32-14)16-5-7-21(29)20(11-16)25(36)30-12-15-3-2-4-18(28)9-15/h2-11,13,24H,12H2,1H3,(H,30,36)(H,31,35)(H,33,37)(H2,32,34,38)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar	CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	800	n/a	n/a	n/a	n/a	7.0	n/a
The Regents of the University of Michigan US Patent					Assay Description GRK1, 2 and 5 kinetic assays were conducted in a buffer containing 20 mM HEPES pH 7.0, 5 μM ATP, 2 mM MgCl2, and 0.025% DDM with 50 nM GRK and e...				US Patent US10023564 (2018) BindingDB Entry DOI: 10.7270/Q2V126V5
					More data for this Ligand-Target Pair
Beta-adrenergic receptor kinase 1 (Homo sapiens (Human))	BDBM283997 (E23 | US10023564, Example 23) Show SMILES COC(=O)C1(CCCCC1)NC(=O)c1cc(ccc1F)C1NC(=O)NC(C)=C1C(=O)Nc1ccc2[nH]ncc2c1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar	PC cid PC sid UniChem	US Patent	n/a	n/a	820	n/a	n/a	n/a	n/a	7.0	n/a
The Regents of the University of Michigan US Patent					Assay Description GRK1, 2 and 5 kinetic assays were conducted in a buffer containing 20 mM HEPES pH 7.0, 5 μM ATP, 2 mM MgCl2, and 0.025% DDM with 50 nM GRK and e...				US Patent US10023564 (2018) BindingDB Entry DOI: 10.7270/Q2V126V5
					More data for this Ligand-Target Pair
Beta-adrenergic receptor kinase 1 (Homo sapiens (Human))	BDBM284009 (E35 | US10023564, Example 35) Show SMILES CC1=C(C(NC(=O)N1)c1ccc(F)c(CC(=O)N(CC#C)Cc2ccco2)c1)C(=O)Nc1ccc2[nH]ncc2c1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar	PC cid PC sid UniChem	US Patent	n/a	n/a	960	n/a	n/a	n/a	n/a	7.0	n/a
The Regents of the University of Michigan US Patent					Assay Description GRK1, 2 and 5 kinetic assays were conducted in a buffer containing 20 mM HEPES pH 7.0, 5 μM ATP, 2 mM MgCl2, and 0.025% DDM with 50 nM GRK and e...				US Patent US10023564 (2018) BindingDB Entry DOI: 10.7270/Q2V126V5
					More data for this Ligand-Target Pair
Beta-adrenergic receptor kinase 1 (Homo sapiens (Human))	BDBM50173318 (CHEMBL3809788 | US10023564, Example 17) Show SMILES CC1=C(C(NC(=O)N1)c1ccc(F)c(c1)C(=O)NCc1c(cccc1C(F)(F)F)C(F)(F)F)C(=O)Nc1ccc2[nH]ncc2c1 Show InChI InChI=1S/C29H21F7N6O3/c1-13-23(26(44)40-16-6-8-22-15(9-16)11-38-42-22)24(41-27(45)39-13)14-5-7-21(30)17(10-14)25(43)37-12-18-19(28(31,32)33)3-2-4-20(18)29(34,35)36/h2-11,24H,12H2,1H3,(H,37,43)(H,38,42)(H,40,44)(H2,39,41,45)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar	CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	7.0	n/a
The Regents of the University of Michigan US Patent					Assay Description GRK1, 2 and 5 kinetic assays were conducted in a buffer containing 20 mM HEPES pH 7.0, 5 μM ATP, 2 mM MgCl2, and 0.025% DDM with 50 nM GRK and e...				US Patent US10023564 (2018) BindingDB Entry DOI: 10.7270/Q2V126V5
					More data for this Ligand-Target Pair
Beta-adrenergic receptor kinase 1 (Homo sapiens (Human))	BDBM284000 (E26 | US10023564, Example 26) Show SMILES CN(Cc1cc(C)[nH]n1)C(=O)c1cc(ccc1F)C1NC(=O)NC(C)=C1C(=O)Nc1ccc2[nH]ncc2c1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar	PC cid PC sid UniChem	US Patent	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	7.0	n/a
The Regents of the University of Michigan US Patent					Assay Description GRK1, 2 and 5 kinetic assays were conducted in a buffer containing 20 mM HEPES pH 7.0, 5 μM ATP, 2 mM MgCl2, and 0.025% DDM with 50 nM GRK and e...				US Patent US10023564 (2018) BindingDB Entry DOI: 10.7270/Q2V126V5
					More data for this Ligand-Target Pair
Beta-adrenergic receptor kinase 1 (Homo sapiens (Human))	BDBM284008 (E34 | US10023564, Example 34) Show SMILES CN(Cc1nc(C)c[nH]1)C(=O)Cc1cc(ccc1F)C1NC(=O)NC(C)=C1C(=O)Nc1ccc2[nH]ncc2c1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar	PC cid PC sid UniChem	US Patent	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	7.0	n/a
The Regents of the University of Michigan US Patent					Assay Description GRK1, 2 and 5 kinetic assays were conducted in a buffer containing 20 mM HEPES pH 7.0, 5 μM ATP, 2 mM MgCl2, and 0.025% DDM with 50 nM GRK and e...				US Patent US10023564 (2018) BindingDB Entry DOI: 10.7270/Q2V126V5
					More data for this Ligand-Target Pair
Beta-adrenergic receptor kinase 1 (Homo sapiens (Human))	BDBM284005 (E31 | US10023564, Example 31) Show SMILES CC1=C(C(NC(=O)N1)c1ccc(F)c(CC(=O)N2CCOC(CCO)C2)c1)C(=O)Nc1ccc2[nH]ncc2c1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar	PC cid PC sid UniChem	US Patent	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	7.0	n/a
The Regents of the University of Michigan US Patent					Assay Description GRK1, 2 and 5 kinetic assays were conducted in a buffer containing 20 mM HEPES pH 7.0, 5 μM ATP, 2 mM MgCl2, and 0.025% DDM with 50 nM GRK and e...				US Patent US10023564 (2018) BindingDB Entry DOI: 10.7270/Q2V126V5
					More data for this Ligand-Target Pair
G protein-coupled receptor kinase 5 (Homo sapiens (Human))	BDBM284006 (E32 | US10023564, Example 32) Show SMILES CC1=C(C(NC(=O)N1)c1ccc(F)c(CC(=O)N(CCO)Cc2ccco2)c1)C(=O)Nc1ccc2[nH]ncc2c1 Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar	PC cid PC sid UniChem	US Patent	n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a	7.0	n/a
The Regents of the University of Michigan US Patent					Assay Description GRK1, 2 and 5 kinetic assays were conducted in a buffer containing 20 mM HEPES pH 7.0, 5 μM ATP, 2 mM MgCl2, and 0.025% DDM with 50 nM GRK and e...				US Patent US10023564 (2018) BindingDB Entry DOI: 10.7270/Q2V126V5
					More data for this Ligand-Target Pair
Rho-associated protein kinase 1 (Homo sapiens (Human))	BDBM50173330 (CHEMBL3808657 | US10023564, Example 13) Show SMILES CC1=C(C(NC(=O)N1)c1ccc(F)c(c1)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)Nc1ccc2[nH]ncc2c1 Show InChI InChI=1S/C29H21F7N6O3/c1-13-23(26(44)40-19-3-5-22-16(8-19)12-38-42-22)24(41-27(45)39-13)15-2-4-21(30)20(9-15)25(43)37-11-14-6-17(28(31,32)33)10-18(7-14)29(34,35)36/h2-10,12,24H,11H2,1H3,(H,37,43)(H,38,42)(H,40,44)(H2,39,41,45)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar	CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Regents of the University of Michigan US Patent					Assay Description Rho-associated coiled-coil kinase (ROCK) assays were performed with the ADP-Glo system using 0.1 μg ROCK1 and 1 μg S6K substrate, and 100 &...				US Patent US10023564 (2018) BindingDB Entry DOI: 10.7270/Q2V126V5
					More data for this Ligand-Target Pair
Beta-adrenergic receptor kinase 1 (Homo sapiens (Human))	BDBM50173329 (CHEMBL3809697 | US10023564, Example 15) Show SMILES CC1=C(C(NC(=O)N1)c1ccc(F)c(c1)C(=O)NCc1ncccc1C)C(=O)Nc1ccc2[nH]ncc2c1 Show InChI InChI=1S/C27H24FN7O3/c1-14-4-3-9-29-22(14)13-30-25(36)19-11-16(5-7-20(19)28)24-23(15(2)32-27(38)34-24)26(37)33-18-6-8-21-17(10-18)12-31-35-21/h3-12,24H,13H2,1-2H3,(H,30,36)(H,31,35)(H,33,37)(H2,32,34,38)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar	CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	1.90E+3	n/a	n/a	n/a	n/a	7.0	n/a
The Regents of the University of Michigan US Patent					Assay Description GRK1, 2 and 5 kinetic assays were conducted in a buffer containing 20 mM HEPES pH 7.0, 5 μM ATP, 2 mM MgCl2, and 0.025% DDM with 50 nM GRK and e...				US Patent US10023564 (2018) BindingDB Entry DOI: 10.7270/Q2V126V5
					More data for this Ligand-Target Pair

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