Compile Data Set for Download or QSAR

Found 368 hits of ic50 data for polymerid = 50007158,5264   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Beta-adrenergic receptor kinase 1 (Homo sapiens (Human))	BDBM50173313 (CHEMBL1738878) Show SMILES CCCn1c(CNc2cccc(c2)C(=O)NCc2c(F)cccc2F)nnc1-c1ccncn1 Show InChI InChI=1S/C24H23F2N7O/c1-2-11-33-22(31-32-23(33)21-9-10-27-15-30-21)14-28-17-6-3-5-16(12-17)24(34)29-13-18-19(25)7-4-8-20(18)26/h3-10,12,15,28H,2,11,13-14H2,1H3,(H,29,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
Shonan Research Center, Pharmaceutical Research Division, Takeda Pharmaceutical Co., Ltd. , 26-1, Muraoka-Higashi 2-Chome, Fujisawa, Kanagawa 251-8555, Japan. Curated by ChEMBL					Assay Description Inhibition of human GRK2 expressed in HEK-B2 cells assessed as isoproterenol-stimulated cAMP accumulation preincubation for 20 mins followed by isopr...				J Med Chem 60: 6942-6990 (2017) Article DOI: 10.1021/acs.jmedchem.7b00443 BindingDB Entry DOI: 10.7270/Q280552Z
					More data for this Ligand-Target Pair				3D Structure (crystal)
Beta-adrenergic receptor kinase 1 (Homo sapiens (Human))	BDBM50257447 (CHEMBL4073882) Show SMILES Fc1cccc(F)c1CNC(=O)c1cccc(NCc2nnc3-c4ccncc4OCCn23)c1 Show InChI InChI=1S/C24H20F2N6O2/c25-19-5-2-6-20(26)18(19)12-29-24(33)15-3-1-4-16(11-15)28-14-22-30-31-23-17-7-8-27-13-21(17)34-10-9-32(22)23/h1-8,11,13,28H,9-10,12,14H2,(H,29,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a	n/a
Shonan Research Center, Pharmaceutical Research Division, Takeda Pharmaceutical Co., Ltd. , 26-1, Muraoka-Higashi 2-Chome, Fujisawa, Kanagawa 251-8555, Japan. Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal GST-tagged GRK2 expressed in baculovirus expression system using ulight topo2alpha as substrate preincubat...				J Med Chem 60: 6942-6990 (2017) Article DOI: 10.1021/acs.jmedchem.7b00443 BindingDB Entry DOI: 10.7270/Q280552Z
					More data for this Ligand-Target Pair
Beta-adrenergic receptor kinase 1 (Homo sapiens (Human))	BDBM50257340 (CHEMBL4072828) Show SMILES FC(F)(F)c1ccccc1CNC(=O)c1cccc(NCc2nnc3-c4ccncc4OCCn23)c1 Show InChI InChI=1S/C25H21F3N6O2/c26-25(27,28)20-7-2-1-4-17(20)13-31-24(35)16-5-3-6-18(12-16)30-15-22-32-33-23-19-8-9-29-14-21(19)36-11-10-34(22)23/h1-9,12,14,30H,10-11,13,15H2,(H,31,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a	n/a
Shonan Research Center, Pharmaceutical Research Division, Takeda Pharmaceutical Co., Ltd. , 26-1, Muraoka-Higashi 2-Chome, Fujisawa, Kanagawa 251-8555, Japan. Curated by ChEMBL					Assay Description Inhibition of human GRK2 expressed in HEK-B2 cells assessed as isoproterenol-stimulated cAMP accumulation preincubation for 20 mins followed by isopr...				J Med Chem 60: 6942-6990 (2017) Article DOI: 10.1021/acs.jmedchem.7b00443 BindingDB Entry DOI: 10.7270/Q280552Z
					More data for this Ligand-Target Pair
Beta-adrenergic receptor kinase 1 (Homo sapiens (Human))	BDBM50257343 (CHEMBL4086046) Show SMILES CCCn1c(CNc2cccc(c2)C(=O)NCc2ccccc2C(F)(F)F)nnc1-c1ccncn1 Show InChI InChI=1S/C25H24F3N7O/c1-2-12-35-22(33-34-23(35)21-10-11-29-16-32-21)15-30-19-8-5-7-17(13-19)24(36)31-14-18-6-3-4-9-20(18)25(26,27)28/h3-11,13,16,30H,2,12,14-15H2,1H3,(H,31,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.90	n/a	n/a	n/a	n/a	n/a	n/a
Shonan Research Center, Pharmaceutical Research Division, Takeda Pharmaceutical Co., Ltd. , 26-1, Muraoka-Higashi 2-Chome, Fujisawa, Kanagawa 251-8555, Japan. Curated by ChEMBL					Assay Description Inhibition of human GRK2 expressed in HEK-B2 cells assessed as isoproterenol-stimulated cAMP accumulation preincubation for 20 mins followed by isopr...				J Med Chem 60: 6942-6990 (2017) Article DOI: 10.1021/acs.jmedchem.7b00443 BindingDB Entry DOI: 10.7270/Q280552Z
					More data for this Ligand-Target Pair
Beta-adrenergic receptor kinase 1 (Homo sapiens (Human))	BDBM50257445 (CHEMBL4095659) Show SMILES COc1ccccc1CNC(=O)c1cccc(NCc2nnc([nH]2)-c2ccncc2)c1 Show InChI InChI=1S/C23H22N6O2/c1-31-20-8-3-2-5-18(20)14-26-23(30)17-6-4-7-19(13-17)25-15-21-27-22(29-28-21)16-9-11-24-12-10-16/h2-13,25H,14-15H2,1H3,(H,26,30)(H,27,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Shonan Research Center, Pharmaceutical Research Division, Takeda Pharmaceutical Co., Ltd. , 26-1, Muraoka-Higashi 2-Chome, Fujisawa, Kanagawa 251-8555, Japan. Curated by ChEMBL					Assay Description Inhibition of human GRK2 expressed in HEK-B2 cells assessed as isoproterenol-stimulated cAMP accumulation preincubation for 20 mins followed by isopr...				J Med Chem 60: 6942-6990 (2017) Article DOI: 10.1021/acs.jmedchem.7b00443 BindingDB Entry DOI: 10.7270/Q280552Z
					More data for this Ligand-Target Pair
Beta-adrenergic receptor kinase 1 (Homo sapiens (Human))	BDBM50257426 (CHEMBL4077447) Show SMILES Clc1ccccc1CNC(=O)c1cccc(NCc2nnc([nH]2)-c2ccncc2)c1 Show InChI InChI=1S/C22H19ClN6O/c23-19-7-2-1-4-17(19)13-26-22(30)16-5-3-6-18(12-16)25-14-20-27-21(29-28-20)15-8-10-24-11-9-15/h1-12,25H,13-14H2,(H,26,30)(H,27,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.90	n/a	n/a	n/a	n/a	n/a	n/a
Shonan Research Center, Pharmaceutical Research Division, Takeda Pharmaceutical Co., Ltd. , 26-1, Muraoka-Higashi 2-Chome, Fujisawa, Kanagawa 251-8555, Japan. Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal GST-tagged GRK2 expressed in baculovirus expression system using ulight topo2alpha as substrate preincubat...				J Med Chem 60: 6942-6990 (2017) Article DOI: 10.1021/acs.jmedchem.7b00443 BindingDB Entry DOI: 10.7270/Q280552Z
					More data for this Ligand-Target Pair
Beta-adrenergic receptor kinase 1 (Homo sapiens (Human))	BDBM50257330 (CHEMBL4071398) Show SMILES OCCn1c(CNc2cccc(c2)C(=O)NCc2ccccc2C(F)(F)F)nnc1-c1ccncc1 Show InChI InChI=1S/C25H23F3N6O2/c26-25(27,28)21-7-2-1-4-19(21)15-31-24(36)18-5-3-6-20(14-18)30-16-22-32-33-23(34(22)12-13-35)17-8-10-29-11-9-17/h1-11,14,30,35H,12-13,15-16H2,(H,31,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.5	n/a	n/a	n/a	n/a	n/a	n/a
Shonan Research Center, Pharmaceutical Research Division, Takeda Pharmaceutical Co., Ltd. , 26-1, Muraoka-Higashi 2-Chome, Fujisawa, Kanagawa 251-8555, Japan. Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal GST-tagged GRK2 expressed in baculovirus expression system using ulight topo2alpha as substrate preincubat...				J Med Chem 60: 6942-6990 (2017) Article DOI: 10.1021/acs.jmedchem.7b00443 BindingDB Entry DOI: 10.7270/Q280552Z
					More data for this Ligand-Target Pair
Beta-adrenergic receptor kinase 1 (Homo sapiens (Human))	BDBM50554257 (CHEMBL4742990) Show SMILES COc1cccc(Cn2cnc3ccc(cc3c2=O)-c2cn[nH]c2)c1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human GRK2 by LANCE assay				Citation and Details Article DOI: 10.1016/j.bmcl.2020.127602 BindingDB Entry DOI: 10.7270/Q2H135PS
					More data for this Ligand-Target Pair
Beta-adrenergic receptor kinase 1 (Homo sapiens (Human))	BDBM50257328 (CHEMBL4082775) Show SMILES O=C(NCc1ccccc1)c1cccc(NCc2nc(n[nH]2)-c2ccncc2)c1 Show InChI InChI=1S/C22H20N6O/c29-22(25-14-16-5-2-1-3-6-16)18-7-4-8-19(13-18)24-15-20-26-21(28-27-20)17-9-11-23-12-10-17/h1-13,24H,14-15H2,(H,25,29)(H,26,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.10	n/a	n/a	n/a	n/a	n/a	n/a
Shonan Research Center, Pharmaceutical Research Division, Takeda Pharmaceutical Co., Ltd. , 26-1, Muraoka-Higashi 2-Chome, Fujisawa, Kanagawa 251-8555, Japan. Curated by ChEMBL					Assay Description Inhibition of human GRK2 expressed in HEK-B2 cells assessed as isoproterenol-stimulated cAMP accumulation preincubation for 20 mins followed by isopr...				J Med Chem 60: 6942-6990 (2017) Article DOI: 10.1021/acs.jmedchem.7b00443 BindingDB Entry DOI: 10.7270/Q280552Z
					More data for this Ligand-Target Pair
Beta-adrenergic receptor kinase 1 (Homo sapiens (Human))	BDBM50257342 (CHEMBL4103972) Show SMILES Cn1c(CNc2cccc(c2)C(=O)NCc2c(F)cccc2F)nnc1-c1ccncn1 Show InChI InChI=1S/C22H19F2N7O/c1-31-20(29-30-21(31)19-8-9-25-13-28-19)12-26-15-5-2-4-14(10-15)22(32)27-11-16-17(23)6-3-7-18(16)24/h2-10,13,26H,11-12H2,1H3,(H,27,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.80	n/a	n/a	n/a	n/a	n/a	n/a
Shonan Research Center, Pharmaceutical Research Division, Takeda Pharmaceutical Co., Ltd. , 26-1, Muraoka-Higashi 2-Chome, Fujisawa, Kanagawa 251-8555, Japan. Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal GST-tagged GRK2 expressed in baculovirus expression system using ulight topo2alpha as substrate preincubat...				J Med Chem 60: 6942-6990 (2017) Article DOI: 10.1021/acs.jmedchem.7b00443 BindingDB Entry DOI: 10.7270/Q280552Z
					More data for this Ligand-Target Pair
Beta-adrenergic receptor kinase 1 (Homo sapiens (Human))	BDBM50257365 (CHEMBL4083276) Show SMILES CCn1c(CNc2cccc(c2)C(=O)NCc2ccccc2)nnc1-c1ccncc1 Show InChI InChI=1S/C24H24N6O/c1-2-30-22(28-29-23(30)19-11-13-25-14-12-19)17-26-21-10-6-9-20(15-21)24(31)27-16-18-7-4-3-5-8-18/h3-15,26H,2,16-17H2,1H3,(H,27,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.5	n/a	n/a	n/a	n/a	n/a	n/a
Shonan Research Center, Pharmaceutical Research Division, Takeda Pharmaceutical Co., Ltd. , 26-1, Muraoka-Higashi 2-Chome, Fujisawa, Kanagawa 251-8555, Japan. Curated by ChEMBL					Assay Description Inhibition of human GRK2 expressed in HEK-B2 cells assessed as isoproterenol-stimulated cAMP accumulation preincubation for 20 mins followed by isopr...				J Med Chem 60: 6942-6990 (2017) Article DOI: 10.1021/acs.jmedchem.7b00443 BindingDB Entry DOI: 10.7270/Q280552Z
					More data for this Ligand-Target Pair
Beta-adrenergic receptor kinase 1 (Homo sapiens (Human))	BDBM50257341 (CHEMBL4094447) Show SMILES Cn1c(CNc2cccc(c2)C(=O)NCc2ccccc2C(F)(F)F)nnc1-c1ccncn1 Show InChI InChI=1S/C23H20F3N7O/c1-33-20(31-32-21(33)19-9-10-27-14-30-19)13-28-17-7-4-6-15(11-17)22(34)29-12-16-5-2-3-8-18(16)23(24,25)26/h2-11,14,28H,12-13H2,1H3,(H,29,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.80	n/a	n/a	n/a	n/a	n/a	n/a
Shonan Research Center, Pharmaceutical Research Division, Takeda Pharmaceutical Co., Ltd. , 26-1, Muraoka-Higashi 2-Chome, Fujisawa, Kanagawa 251-8555, Japan. Curated by ChEMBL					Assay Description Inhibition of human GRK2 expressed in HEK-B2 cells assessed as isoproterenol-stimulated cAMP accumulation preincubation for 20 mins followed by isopr...				J Med Chem 60: 6942-6990 (2017) Article DOI: 10.1021/acs.jmedchem.7b00443 BindingDB Entry DOI: 10.7270/Q280552Z
					More data for this Ligand-Target Pair
Beta-adrenergic receptor kinase 1 (Homo sapiens (Human))	BDBM50554266 (CHEMBL4785990) Show SMILES Fc1ccc(NC(=O)c2cccc(Cn3cnc4ccc(cc4c3=O)-c3cn[nH]c3)c2)cc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human GRK2 by transcreener assay				Citation and Details Article DOI: 10.1016/j.bmcl.2020.127602 BindingDB Entry DOI: 10.7270/Q2H135PS
					More data for this Ligand-Target Pair
Beta-adrenergic receptor kinase 1 (Homo sapiens (Human))	BDBM50257344 (CHEMBL4065690) Show SMILES Cc1c(CNc2cccc(c2)C(=O)NCc2ccccc2)[nH]nc1-c1ccncc1 Show InChI InChI=1S/C24H23N5O/c1-17-22(28-29-23(17)19-10-12-25-13-11-19)16-26-21-9-5-8-20(14-21)24(30)27-15-18-6-3-2-4-7-18/h2-14,26H,15-16H2,1H3,(H,27,30)(H,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.90	n/a	n/a	n/a	n/a	n/a	n/a
Shonan Research Center, Pharmaceutical Research Division, Takeda Pharmaceutical Co., Ltd. , 26-1, Muraoka-Higashi 2-Chome, Fujisawa, Kanagawa 251-8555, Japan. Curated by ChEMBL					Assay Description Inhibition of human GRK2 expressed in HEK-B2 cells assessed as isoproterenol-stimulated cAMP accumulation preincubation for 20 mins followed by isopr...				J Med Chem 60: 6942-6990 (2017) Article DOI: 10.1021/acs.jmedchem.7b00443 BindingDB Entry DOI: 10.7270/Q280552Z
					More data for this Ligand-Target Pair
Beta-adrenergic receptor kinase 1 (Homo sapiens (Human))	BDBM50554268 (CHEMBL4745381) Show SMILES Fc1cccc(F)c1CNC(=O)c1cccc(Cn2cnc3ccc(cc3c2=O)-c2cn[nH]c2)c1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human GRK2 by transcreener assay				Citation and Details Article DOI: 10.1016/j.bmcl.2020.127602 BindingDB Entry DOI: 10.7270/Q2H135PS
					More data for this Ligand-Target Pair
Beta-adrenergic receptor kinase 1 (Homo sapiens (Human))	BDBM50554267 (CHEMBL4760734) Show SMILES Fc1ccc(CNC(=O)c2cccc(Cn3cnc4ccc(cc4c3=O)-c3cn[nH]c3)c2)cc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human GRK2 by transcreener assay				Citation and Details Article DOI: 10.1016/j.bmcl.2020.127602 BindingDB Entry DOI: 10.7270/Q2H135PS
					More data for this Ligand-Target Pair
Beta-adrenergic receptor kinase 1 (Homo sapiens (Human))	BDBM50540741 (CHEMBL4640019) Show SMILES OCc1cncc(c1)-c1ccc2[nH]nc(C(=O)NCC3CCOCC3)c2c1 Show InChI InChI=1S/C20H22N4O3/c25-12-14-7-16(11-21-9-14)15-1-2-18-17(8-15)19(24-23-18)20(26)22-10-13-3-5-27-6-4-13/h1-2,7-9,11,13,25H,3-6,10,12H2,(H,22,26)(H,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Angelini Pharma S.p.A. Curated by ChEMBL					Assay Description Inhibition of human GRK2 in presence of ATP				ACS Med Chem Lett 11: 825-831 (2020) Article DOI: 10.1021/acsmedchemlett.9b00633 BindingDB Entry DOI: 10.7270/Q2930XQ1
					More data for this Ligand-Target Pair
Beta-adrenergic receptor kinase 1 (Homo sapiens (Human))	BDBM50554276 (CHEMBL4753687) Show SMILES CNCCC(c1cccc(OC)c1)n1cnc2ccc(cc2c1=O)-c1cn[nH]c1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human GRK2 by transcreener assay				Citation and Details Article DOI: 10.1016/j.bmcl.2020.127602 BindingDB Entry DOI: 10.7270/Q2H135PS
					More data for this Ligand-Target Pair
Beta-adrenergic receptor kinase 1 (Homo sapiens (Human))	BDBM50257429 (CHEMBL4061438) Show SMILES Cn1c(CNc2cccc(c2)C(=O)NCc2ccccc2Cl)nnc1-c1ccncc1 Show InChI InChI=1S/C23H21ClN6O/c1-30-21(28-29-22(30)16-9-11-25-12-10-16)15-26-19-7-4-6-17(13-19)23(31)27-14-18-5-2-3-8-20(18)24/h2-13,26H,14-15H2,1H3,(H,27,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Shonan Research Center, Pharmaceutical Research Division, Takeda Pharmaceutical Co., Ltd. , 26-1, Muraoka-Higashi 2-Chome, Fujisawa, Kanagawa 251-8555, Japan. Curated by ChEMBL					Assay Description Inhibition of human GRK2 expressed in HEK-B2 cells assessed as isoproterenol-stimulated cAMP accumulation preincubation for 20 mins followed by isopr...				J Med Chem 60: 6942-6990 (2017) Article DOI: 10.1021/acs.jmedchem.7b00443 BindingDB Entry DOI: 10.7270/Q280552Z
					More data for this Ligand-Target Pair
Beta-adrenergic receptor kinase 1 (Homo sapiens (Human))	BDBM50257389 (CHEMBL4093075) Show SMILES Clc1ccc(NCc2nc(n[nH]2)-c2ccncc2)cc1NC(=O)Cc1ccccc1 Show InChI InChI=1S/C22H19ClN6O/c23-18-7-6-17(13-19(18)26-21(30)12-15-4-2-1-3-5-15)25-14-20-27-22(29-28-20)16-8-10-24-11-9-16/h1-11,13,25H,12,14H2,(H,26,30)(H,27,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Shonan Research Center, Pharmaceutical Research Division, Takeda Pharmaceutical Co., Ltd. , 26-1, Muraoka-Higashi 2-Chome, Fujisawa, Kanagawa 251-8555, Japan. Curated by ChEMBL					Assay Description Inhibition of human GRK2 expressed in HEK-B2 cells assessed as isoproterenol-stimulated cAMP accumulation preincubation for 20 mins followed by isopr...				J Med Chem 60: 6942-6990 (2017) Article DOI: 10.1021/acs.jmedchem.7b00443 BindingDB Entry DOI: 10.7270/Q280552Z
					More data for this Ligand-Target Pair
Beta-adrenergic receptor kinase 1 (Homo sapiens (Human))	BDBM50257425 (CHEMBL4060973) Show SMILES COc1cccc(CNC(=O)c2cccc(NCc3nnc([nH]3)-c3ccncc3)c2)c1 Show InChI InChI=1S/C23H22N6O2/c1-31-20-7-2-4-16(12-20)14-26-23(30)18-5-3-6-19(13-18)25-15-21-27-22(29-28-21)17-8-10-24-11-9-17/h2-13,25H,14-15H2,1H3,(H,26,30)(H,27,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Shonan Research Center, Pharmaceutical Research Division, Takeda Pharmaceutical Co., Ltd. , 26-1, Muraoka-Higashi 2-Chome, Fujisawa, Kanagawa 251-8555, Japan. Curated by ChEMBL					Assay Description Inhibition of human GRK2 expressed in HEK-B2 cells assessed as isoproterenol-stimulated cAMP accumulation preincubation for 20 mins followed by isopr...				J Med Chem 60: 6942-6990 (2017) Article DOI: 10.1021/acs.jmedchem.7b00443 BindingDB Entry DOI: 10.7270/Q280552Z
					More data for this Ligand-Target Pair
Beta-adrenergic receptor kinase 1 (Homo sapiens (Human))	BDBM50554274 (CHEMBL4782910) Show SMILES COc1cccc(c1)[C@@H](C)n1cnc2ccc(cc2c1=O)-c1cn[nH]c1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human GRK2 by transcreener assay				Citation and Details Article DOI: 10.1016/j.bmcl.2020.127602 BindingDB Entry DOI: 10.7270/Q2H135PS
					More data for this Ligand-Target Pair
Beta-adrenergic receptor kinase 1 (Homo sapiens (Human))	BDBM258598 (US9493490, Example 10 | US9493490, G) Show SMILES C[C@@H](N)c1ccc(Oc2ccc3COB(O)c3c2C)c(F)c1 |r| Show InChI InChI=1S/C16H17BFNO3/c1-9-14(5-4-12-8-21-17(20)16(9)12)22-15-6-3-11(10(2)19)7-13(15)18/h3-7,10,20H,8,19H2,1-2H3/t10-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	13.9	n/a	n/a	n/a	n/a	n/a	25
Anacor Pharmaceuticals, Inc. US Patent					Assay Description Phosphorylation of activity of ROCK1 and ROCK2 and those of other kinases, AKT1, GRK2, PKA, PKCa and RSK1 were performed by Reaction Biology (Malvern...				US Patent US9493490 (2016) BindingDB Entry DOI: 10.7270/Q2R2109J
					More data for this Ligand-Target Pair
Beta-adrenergic receptor kinase 1 (Homo sapiens (Human))	BDBM50257409 (CHEMBL4087117) Show SMILES O=C(NCc1ccccc1)c1cccc(NCc2cc(n[nH]2)-c2ccncc2)c1 Show InChI InChI=1S/C23H21N5O/c29-23(26-15-17-5-2-1-3-6-17)19-7-4-8-20(13-19)25-16-21-14-22(28-27-21)18-9-11-24-12-10-18/h1-14,25H,15-16H2,(H,26,29)(H,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Shonan Research Center, Pharmaceutical Research Division, Takeda Pharmaceutical Co., Ltd. , 26-1, Muraoka-Higashi 2-Chome, Fujisawa, Kanagawa 251-8555, Japan. Curated by ChEMBL					Assay Description Inhibition of human GRK2 expressed in HEK-B2 cells assessed as isoproterenol-stimulated cAMP accumulation preincubation for 20 mins followed by isopr...				J Med Chem 60: 6942-6990 (2017) Article DOI: 10.1021/acs.jmedchem.7b00443 BindingDB Entry DOI: 10.7270/Q280552Z
					More data for this Ligand-Target Pair
Beta-adrenergic receptor kinase 1 (Homo sapiens (Human))	BDBM50257366 (CHEMBL4082559) Show SMILES COc1cccc(NCC(=O)N\N=C2/CCCc3cnccc23)c1 Show InChI InChI=1S/C18H20N4O2/c1-24-15-6-3-5-14(10-15)20-12-18(23)22-21-17-7-2-4-13-11-19-9-8-16(13)17/h3,5-6,8-11,20H,2,4,7,12H2,1H3,(H,22,23)/b21-17+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	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
Shonan Research Center, Pharmaceutical Research Division, Takeda Pharmaceutical Co., Ltd. , 26-1, Muraoka-Higashi 2-Chome, Fujisawa, Kanagawa 251-8555, Japan. Curated by ChEMBL					Assay Description Inhibition of human GRK2 expressed in HEK-B2 cells assessed as isoproterenol-stimulated cAMP accumulation preincubation for 20 mins followed by isopr...				J Med Chem 60: 6942-6990 (2017) Article DOI: 10.1021/acs.jmedchem.7b00443 BindingDB Entry DOI: 10.7270/Q280552Z
					More data for this Ligand-Target Pair
Beta-adrenergic receptor kinase 1 (Homo sapiens (Human))	BDBM50257329 (CHEMBL4064232) Show SMILES COCCn1c(CNc2cccc(c2)C(=O)NCc2ccccc2)nnc1-c1ccncc1 Show InChI InChI=1S/C25H26N6O2/c1-33-15-14-31-23(29-30-24(31)20-10-12-26-13-11-20)18-27-22-9-5-8-21(16-22)25(32)28-17-19-6-3-2-4-7-19/h2-13,16,27H,14-15,17-18H2,1H3,(H,28,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Shonan Research Center, Pharmaceutical Research Division, Takeda Pharmaceutical Co., Ltd. , 26-1, Muraoka-Higashi 2-Chome, Fujisawa, Kanagawa 251-8555, Japan. Curated by ChEMBL					Assay Description Inhibition of human GRK2 expressed in HEK-B2 cells assessed as isoproterenol-stimulated cAMP accumulation preincubation for 20 mins followed by isopr...				J Med Chem 60: 6942-6990 (2017) Article DOI: 10.1021/acs.jmedchem.7b00443 BindingDB Entry DOI: 10.7270/Q280552Z
					More data for this Ligand-Target Pair
Beta-adrenergic receptor kinase 1 (Homo sapiens (Human))	BDBM50257424 (CHEMBL4082853) Show SMILES COc1ccc(CNC(=O)c2cccc(NCc3nnc([nH]3)-c3ccncc3)c2)cc1 Show InChI InChI=1S/C23H22N6O2/c1-31-20-7-5-16(6-8-20)14-26-23(30)18-3-2-4-19(13-18)25-15-21-27-22(29-28-21)17-9-11-24-12-10-17/h2-13,25H,14-15H2,1H3,(H,26,30)(H,27,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
Shonan Research Center, Pharmaceutical Research Division, Takeda Pharmaceutical Co., Ltd. , 26-1, Muraoka-Higashi 2-Chome, Fujisawa, Kanagawa 251-8555, Japan. Curated by ChEMBL					Assay Description Inhibition of human GRK2 expressed in HEK-B2 cells assessed as isoproterenol-stimulated cAMP accumulation preincubation for 20 mins followed by isopr...				J Med Chem 60: 6942-6990 (2017) Article DOI: 10.1021/acs.jmedchem.7b00443 BindingDB Entry DOI: 10.7270/Q280552Z
					More data for this Ligand-Target Pair
Beta-adrenergic receptor kinase 1 (Homo sapiens (Human))	BDBM50554272 (CHEMBL4751285) Show SMILES COc1cc(Cn2cnc3ccc(cc3c2=O)-c2cn[nH]c2)ccc1F Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human GRK2 by transcreener assay				Citation and Details Article DOI: 10.1016/j.bmcl.2020.127602 BindingDB Entry DOI: 10.7270/Q2H135PS
					More data for this Ligand-Target Pair
Beta-adrenergic receptor kinase 1 (Homo sapiens (Human))	BDBM50257350 (CHEMBL1738877) Show SMILES Cn1c(CNc2cccc(c2)C(=O)NCc2ccccc2C(F)(F)F)nnc1-c1ccncc1 Show InChI InChI=1S/C24H21F3N6O/c1-33-21(31-32-22(33)16-9-11-28-12-10-16)15-29-19-7-4-6-17(13-19)23(34)30-14-18-5-2-3-8-20(18)24(25,26)27/h2-13,29H,14-15H2,1H3,(H,30,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Patents	PDB Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Shonan Research Center, Pharmaceutical Research Division, Takeda Pharmaceutical Co., Ltd. , 26-1, Muraoka-Higashi 2-Chome, Fujisawa, Kanagawa 251-8555, Japan. Curated by ChEMBL					Assay Description Inhibition of human GRK2 expressed in HEK-B2 cells assessed as isoproterenol-stimulated cAMP accumulation preincubation for 20 mins followed by isopr...				J Med Chem 60: 6942-6990 (2017) Article DOI: 10.1021/acs.jmedchem.7b00443 BindingDB Entry DOI: 10.7270/Q280552Z
					More data for this Ligand-Target Pair				3D Structure (crystal)
Beta-adrenergic receptor kinase 1 (Homo sapiens (Human))	BDBM50554258 (CHEMBL4744858) Show SMILES COc1cccc(Cn2ncc3ccc(cc3c2=O)-c2cn[nH]c2)c1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human GRK2 by transcreener assay				Citation and Details Article DOI: 10.1016/j.bmcl.2020.127602 BindingDB Entry DOI: 10.7270/Q2H135PS
					More data for this Ligand-Target Pair
Beta-adrenergic receptor kinase 1 (Homo sapiens (Human))	BDBM50257390 (CHEMBL4082805) Show SMILES O=C(NCc1ccccc1)Nc1cccc(NCc2nc(n[nH]2)-c2ccncc2)c1 Show InChI InChI=1S/C22H21N7O/c30-22(25-14-16-5-2-1-3-6-16)26-19-8-4-7-18(13-19)24-15-20-27-21(29-28-20)17-9-11-23-12-10-17/h1-13,24H,14-15H2,(H2,25,26,30)(H,27,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
Shonan Research Center, Pharmaceutical Research Division, Takeda Pharmaceutical Co., Ltd. , 26-1, Muraoka-Higashi 2-Chome, Fujisawa, Kanagawa 251-8555, Japan. Curated by ChEMBL					Assay Description Inhibition of human GRK2 expressed in HEK-B2 cells assessed as isoproterenol-stimulated cAMP accumulation preincubation for 20 mins followed by isopr...				J Med Chem 60: 6942-6990 (2017) Article DOI: 10.1021/acs.jmedchem.7b00443 BindingDB Entry DOI: 10.7270/Q280552Z
					More data for this Ligand-Target Pair
Beta-adrenergic receptor kinase 1 (Homo sapiens (Human))	BDBM50257369 (CHEMBL4082713) Show SMILES O=C(CNc1cccc(c1)C(=O)NCc1ccccc1)N\N=C1/CCCc2cnccc12 Show InChI InChI=1S/C25H25N5O2/c31-24(30-29-23-11-5-9-20-16-26-13-12-22(20)23)17-27-21-10-4-8-19(14-21)25(32)28-15-18-6-2-1-3-7-18/h1-4,6-8,10,12-14,16,27H,5,9,11,15,17H2,(H,28,32)(H,30,31)/b29-23+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Shonan Research Center, Pharmaceutical Research Division, Takeda Pharmaceutical Co., Ltd. , 26-1, Muraoka-Higashi 2-Chome, Fujisawa, Kanagawa 251-8555, Japan. Curated by ChEMBL					Assay Description Inhibition of human GRK2 expressed in HEK-B2 cells assessed as isoproterenol-stimulated cAMP accumulation preincubation for 20 mins followed by isopr...				J Med Chem 60: 6942-6990 (2017) Article DOI: 10.1021/acs.jmedchem.7b00443 BindingDB Entry DOI: 10.7270/Q280552Z
					More data for this Ligand-Target Pair
Beta-adrenergic receptor kinase 1 (Homo sapiens (Human))	BDBM258597 (US9493490, Example 9 | US9493490, F) Show SMILES C[C@H](N)c1ccc(Oc2ccc3COB(O)c3c2C)c(F)c1 |r| Show InChI InChI=1S/C16H17BFNO3/c1-9-14(5-4-12-8-21-17(20)16(9)12)22-15-6-3-11(10(2)19)7-13(15)18/h3-7,10,20H,8,19H2,1-2H3/t10-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>20	n/a	n/a	n/a	n/a	n/a	25
Anacor Pharmaceuticals, Inc. US Patent					Assay Description Phosphorylation of activity of ROCK1 and ROCK2 and those of other kinases, AKT1, GRK2, PKA, PKCa and RSK1 were performed by Reaction Biology (Malvern...				US Patent US9493490 (2016) BindingDB Entry DOI: 10.7270/Q2R2109J
					More data for this Ligand-Target Pair
Beta-adrenergic receptor kinase 1 (Homo sapiens (Human))	BDBM258596 (US9493490, 6-(4-(1-aminoethyl)-2-fluorophenoxy)-7-...) Show SMILES CC(N)c1ccc(Oc2ccc3COB(O)c3c2C)c(F)c1 Show InChI InChI=1S/C16H17BFNO3/c1-9-14(5-4-12-8-21-17(20)16(9)12)22-15-6-3-11(10(2)19)7-13(15)18/h3-7,10,20H,8,19H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>20	n/a	n/a	n/a	n/a	n/a	25
Anacor Pharmaceuticals, Inc. US Patent					Assay Description Phosphorylation of activity of ROCK1 and ROCK2 and those of other kinases, AKT1, GRK2, PKA, PKCa and RSK1 were performed by Reaction Biology (Malvern...				US Patent US9493490 (2016) BindingDB Entry DOI: 10.7270/Q2R2109J
					More data for this Ligand-Target Pair
Beta-adrenergic receptor kinase 1 (Homo sapiens (Human))	BDBM50173313 (CHEMBL1738878) Show SMILES CCCn1c(CNc2cccc(c2)C(=O)NCc2c(F)cccc2F)nnc1-c1ccncn1 Show InChI InChI=1S/C24H23F2N7O/c1-2-11-33-22(31-32-23(33)21-9-10-27-15-30-21)14-28-17-6-3-5-16(12-17)24(34)29-13-18-19(25)7-4-8-20(18)26/h3-10,12,15,28H,2,11,13-14H2,1H3,(H,29,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01511 BindingDB Entry DOI: 10.7270/Q22Z19M2
					More data for this Ligand-Target Pair				3D Structure (crystal)
Beta-adrenergic receptor kinase 1 (Homo sapiens (Human))	BDBM258594 (US9493490, 6-(4-(1-aminoethyl)-2-fluorophenoxy)ben...) Show SMILES CC(N)c1ccc(Oc2ccc3COB(O)c3c2)c(F)c1 Show InChI InChI=1S/C15H15BFNO3/c1-9(18)10-3-5-15(14(17)6-10)21-12-4-2-11-8-20-16(19)13(11)7-12/h2-7,9,19H,8,18H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>20	n/a	n/a	n/a	n/a	n/a	25
Anacor Pharmaceuticals, Inc. US Patent					Assay Description Phosphorylation of activity of ROCK1 and ROCK2 and those of other kinases, AKT1, GRK2, PKA, PKCa and RSK1 were performed by Reaction Biology (Malvern...				US Patent US9493490 (2016) BindingDB Entry DOI: 10.7270/Q2R2109J
					More data for this Ligand-Target Pair
Beta-adrenergic receptor kinase 1 (Homo sapiens (Human))	BDBM258595 (US9493490, 6-(4-(aminomethyl)-2-fluorophenoxy)-7-m...) Show SMILES Cc1c2B(O)OCc2ccc1Oc1ccc(CN)cc1F Show InChI InChI=1S/C15H15BFNO3/c1-9-13(5-3-11-8-20-16(19)15(9)11)21-14-4-2-10(7-18)6-12(14)17/h2-6,19H,7-8,18H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>20	n/a	n/a	n/a	n/a	n/a	25
Anacor Pharmaceuticals, Inc. US Patent					Assay Description Phosphorylation of activity of ROCK1 and ROCK2 and those of other kinases, AKT1, GRK2, PKA, PKCa and RSK1 were performed by Reaction Biology (Malvern...				US Patent US9493490 (2016) BindingDB Entry DOI: 10.7270/Q2R2109J
					More data for this Ligand-Target Pair
Beta-adrenergic receptor kinase 1 (Bos taurus)	BDBM50173313 (CHEMBL1738878) Show SMILES CCCn1c(CNc2cccc(c2)C(=O)NCc2c(F)cccc2F)nnc1-c1ccncn1 Show InChI InChI=1S/C24H23F2N7O/c1-2-11-33-22(31-32-23(33)21-9-10-27-15-30-21)14-28-17-6-3-5-16(12-17)24(34)29-13-18-19(25)7-4-8-20(18)26/h3-10,12,15,28H,2,11,13-14H2,1H3,(H,29,34)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Department of Medicinal Chemistry, College of Pharmacy,?Departments of Pharmacology and Biological Chemistry, Life Sciences Institute,§Ph.D. Program in Chemical Biology,?Vahlteich Medicinal Chemistry Curated by ChEMBL					Assay Description Inhibition of bovine GRK2 S670A mutant after 5 mins in presence of ATP by phosphorimaging assay				J Med Chem 60: 3052-3069 (2017) Article DOI: 10.1021/acs.jmedchem.7b00112 BindingDB Entry DOI: 10.7270/Q2M047XQ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Beta-adrenergic receptor kinase 1 (Homo sapiens (Human))	BDBM50173313 (CHEMBL1738878) Show SMILES CCCn1c(CNc2cccc(c2)C(=O)NCc2c(F)cccc2F)nnc1-c1ccncn1 Show InChI InChI=1S/C24H23F2N7O/c1-2-11-33-22(31-32-23(33)21-9-10-27-15-30-21)14-28-17-6-3-5-16(12-17)24(34)29-13-18-19(25)7-4-8-20(18)26/h3-10,12,15,28H,2,11,13-14H2,1H3,(H,29,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Department of Medicinal Chemistry, College of Pharmacy,?Departments of Pharmacology and Biological Chemistry, Life Sciences Institute,§Ph.D. Program in Chemical Biology,?Vahlteich Medicinal Chemistry Curated by ChEMBL					Assay Description Inhibition of GRK2 (unknown origin)				J Med Chem 60: 3052-3069 (2017) Article DOI: 10.1021/acs.jmedchem.7b00112 BindingDB Entry DOI: 10.7270/Q2M047XQ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Beta-adrenergic receptor kinase 1 (Homo sapiens (Human))	BDBM50257503 (CHEMBL4067877) Show SMILES O=C(NCc1ccccc1)c1cccc(NCc2nc(c[nH]2)-c2ccncc2)c1 Show InChI InChI=1S/C23H21N5O/c29-23(27-14-17-5-2-1-3-6-17)19-7-4-8-20(13-19)25-16-22-26-15-21(28-22)18-9-11-24-12-10-18/h1-13,15,25H,14,16H2,(H,26,28)(H,27,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
Shonan Research Center, Pharmaceutical Research Division, Takeda Pharmaceutical Co., Ltd. , 26-1, Muraoka-Higashi 2-Chome, Fujisawa, Kanagawa 251-8555, Japan. Curated by ChEMBL					Assay Description Inhibition of human GRK2 expressed in HEK-B2 cells assessed as isoproterenol-stimulated cAMP accumulation preincubation for 20 mins followed by isopr...				J Med Chem 60: 6942-6990 (2017) Article DOI: 10.1021/acs.jmedchem.7b00443 BindingDB Entry DOI: 10.7270/Q280552Z
					More data for this Ligand-Target Pair
Beta-adrenergic receptor kinase 1 (Homo sapiens (Human))	BDBM50257387 (CHEMBL4075063) Show SMILES O=C(NCCCc1ccccc1)c1cccc(NCc2nc(n[nH]2)-c2ccncc2)c1 Show InChI InChI=1S/C24H24N6O/c31-24(26-13-5-8-18-6-2-1-3-7-18)20-9-4-10-21(16-20)27-17-22-28-23(30-29-22)19-11-14-25-15-12-19/h1-4,6-7,9-12,14-16,27H,5,8,13,17H2,(H,26,31)(H,28,29,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
Shonan Research Center, Pharmaceutical Research Division, Takeda Pharmaceutical Co., Ltd. , 26-1, Muraoka-Higashi 2-Chome, Fujisawa, Kanagawa 251-8555, Japan. Curated by ChEMBL					Assay Description Inhibition of human GRK2 expressed in HEK-B2 cells assessed as isoproterenol-stimulated cAMP accumulation preincubation for 20 mins followed by isopr...				J Med Chem 60: 6942-6990 (2017) Article DOI: 10.1021/acs.jmedchem.7b00443 BindingDB Entry DOI: 10.7270/Q280552Z
					More data for this Ligand-Target Pair
Beta-adrenergic receptor kinase 1 (Homo sapiens (Human))	BDBM50257410 (CHEMBL4089087) Show SMILES O=C(NCc1ccccc1)c1cccc(NCc2cc(on2)-c2ccncc2)c1 Show InChI InChI=1S/C23H20N4O2/c28-23(26-15-17-5-2-1-3-6-17)19-7-4-8-20(13-19)25-16-21-14-22(29-27-21)18-9-11-24-12-10-18/h1-14,25H,15-16H2,(H,26,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
Shonan Research Center, Pharmaceutical Research Division, Takeda Pharmaceutical Co., Ltd. , 26-1, Muraoka-Higashi 2-Chome, Fujisawa, Kanagawa 251-8555, Japan. Curated by ChEMBL					Assay Description Inhibition of human GRK2 expressed in HEK-B2 cells assessed as isoproterenol-stimulated cAMP accumulation preincubation for 20 mins followed by isopr...				J Med Chem 60: 6942-6990 (2017) Article DOI: 10.1021/acs.jmedchem.7b00443 BindingDB Entry DOI: 10.7270/Q280552Z
					More data for this Ligand-Target Pair
Beta-adrenergic receptor kinase 1 (Homo sapiens (Human))	BDBM50257350 (CHEMBL1738877) Show SMILES Cn1c(CNc2cccc(c2)C(=O)NCc2ccccc2C(F)(F)F)nnc1-c1ccncc1 Show InChI InChI=1S/C24H21F3N6O/c1-33-21(31-32-22(33)16-9-11-28-12-10-16)15-29-19-7-4-6-17(13-19)23(34)30-14-18-5-2-3-8-20(18)24(25,26)27/h2-13,29H,14-15H2,1H3,(H,30,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Patents	PDB Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Department of Medicinal Chemistry, College of Pharmacy,?Departments of Pharmacology and Biological Chemistry, Life Sciences Institute,§Ph.D. Program in Chemical Biology,?Vahlteich Medicinal Chemistry Curated by ChEMBL					Assay Description Inhibition of GRK2 (unknown origin)				J Med Chem 60: 3052-3069 (2017) Article DOI: 10.1021/acs.jmedchem.7b00112 BindingDB Entry DOI: 10.7270/Q2M047XQ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Beta-adrenergic receptor kinase 1 (Homo sapiens (Human))	BDBM258600 (US9493490, 6-(3-(aminomethyl)-2-fluorophenoxy)-7-m...) Show SMILES Cc1c2B(O)OCc2ccc1Oc1cccc(CN)c1F Show InChI InChI=1S/C15H15BFNO3/c1-9-12(6-5-11-8-20-16(19)14(9)11)21-13-4-2-3-10(7-18)15(13)17/h2-6,19H,7-8,18H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>30	n/a	n/a	n/a	n/a	n/a	25
Anacor Pharmaceuticals, Inc. US Patent					Assay Description Phosphorylation of activity of ROCK1 and ROCK2 and those of other kinases, AKT1, GRK2, PKA, PKCa and RSK1 were performed by Reaction Biology (Malvern...				US Patent US9493490 (2016) BindingDB Entry DOI: 10.7270/Q2R2109J
					More data for this Ligand-Target Pair
Beta-adrenergic receptor kinase 1 (Bos taurus)	BDBM50257350 (CHEMBL1738877) Show SMILES Cn1c(CNc2cccc(c2)C(=O)NCc2ccccc2C(F)(F)F)nnc1-c1ccncc1 Show InChI InChI=1S/C24H21F3N6O/c1-33-21(31-32-22(33)16-9-11-28-12-10-16)15-29-19-7-4-6-17(13-19)23(34)30-14-18-5-2-3-8-20(18)24(25,26)27/h2-13,29H,14-15H2,1H3,(H,30,34)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Patents	PDB Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Department of Medicinal Chemistry, College of Pharmacy,?Departments of Pharmacology and Biological Chemistry, Life Sciences Institute,§Ph.D. Program in Chemical Biology,?Vahlteich Medicinal Chemistry Curated by ChEMBL					Assay Description Inhibition of bovine GRK2 S670A mutant after 5 mins in presence of ATP by phosphorimaging assay				J Med Chem 60: 3052-3069 (2017) Article DOI: 10.1021/acs.jmedchem.7b00112 BindingDB Entry DOI: 10.7270/Q2M047XQ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Beta-adrenergic receptor kinase 1 (Homo sapiens (Human))	BDBM258599 (US9493490, Example 11 | US9493490, L | US9493490, ...) Show SMILES Cc1c2B(O)OCc2ccc1Oc1cccc(CNC(=O)OC(C)(C)C)c1F Show InChI InChI=1S/C20H23BFNO5/c1-12-15(9-8-14-11-26-21(25)17(12)14)27-16-7-5-6-13(18(16)22)10-23-19(24)28-20(2,3)4/h5-9,25H,10-11H2,1-4H3,(H,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	>30	n/a	n/a	n/a	n/a	n/a	25
Anacor Pharmaceuticals, Inc. US Patent					Assay Description Phosphorylation of activity of ROCK1 and ROCK2 and those of other kinases, AKT1, GRK2, PKA, PKCa and RSK1 were performed by Reaction Biology (Malvern...				US Patent US9493490 (2016) BindingDB Entry DOI: 10.7270/Q2R2109J
					More data for this Ligand-Target Pair
Beta-adrenergic receptor kinase 1 (Bos taurus)	BDBM50260141 (CHEMBL4097393) Show SMILES Cc1cc(CNC(=O)c2cc(ccc2F)[C@@H]2CCNC[C@H]2COc2ccc3OCOc3c2)n[nH]1 |r| Show InChI InChI=1S/C25H27FN4O4/c1-15-8-18(30-29-15)12-28-25(31)21-9-16(2-4-22(21)26)20-6-7-27-11-17(20)13-32-19-3-5-23-24(10-19)34-14-33-23/h2-5,8-10,17,20,27H,6-7,11-14H2,1H3,(H,28,31)(H,29,30)/t17-,20-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Department of Medicinal Chemistry, College of Pharmacy,?Departments of Pharmacology and Biological Chemistry, Life Sciences Institute,§Ph.D. Program in Chemical Biology,?Vahlteich Medicinal Chemistry Curated by ChEMBL					Assay Description Inhibition of bovine GRK2 S670A mutant after 5 mins in presence of ATP by phosphorimaging assay				J Med Chem 60: 3052-3069 (2017) Article DOI: 10.1021/acs.jmedchem.7b00112 BindingDB Entry DOI: 10.7270/Q2M047XQ
					More data for this Ligand-Target Pair
Beta-adrenergic receptor kinase 1 (Bos taurus)	BDBM50260140 (CHEMBL4090144) Show SMILES Fc1ccc(cc1C(=O)NCc1ccn[nH]1)[C@@H]1CCNC[C@H]1COc1ccc2OCOc2c1 |r| Show InChI InChI=1S/C24H25FN4O4/c25-21-3-1-15(9-20(21)24(30)27-12-17-5-8-28-29-17)19-6-7-26-11-16(19)13-31-18-2-4-22-23(10-18)33-14-32-22/h1-5,8-10,16,19,26H,6-7,11-14H2,(H,27,30)(H,28,29)/t16-,19-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Department of Medicinal Chemistry, College of Pharmacy,?Departments of Pharmacology and Biological Chemistry, Life Sciences Institute,§Ph.D. Program in Chemical Biology,?Vahlteich Medicinal Chemistry Curated by ChEMBL					Assay Description Inhibition of bovine GRK2 S670A mutant after 5 mins in presence of ATP by phosphorimaging assay				J Med Chem 60: 3052-3069 (2017) Article DOI: 10.1021/acs.jmedchem.7b00112 BindingDB Entry DOI: 10.7270/Q2M047XQ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Beta-adrenergic receptor kinase 1 (Homo sapiens (Human))	BDBM50257430 (CHEMBL4070100) Show SMILES CCCn1c(CNc2cccc(c2)C(=O)NCc2ccccc2)nnc1-c1ccncc1 Show InChI InChI=1S/C25H26N6O/c1-2-15-31-23(29-30-24(31)20-11-13-26-14-12-20)18-27-22-10-6-9-21(16-22)25(32)28-17-19-7-4-3-5-8-19/h3-14,16,27H,2,15,17-18H2,1H3,(H,28,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
Shonan Research Center, Pharmaceutical Research Division, Takeda Pharmaceutical Co., Ltd. , 26-1, Muraoka-Higashi 2-Chome, Fujisawa, Kanagawa 251-8555, Japan. Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal GST-tagged GRK2 expressed in baculovirus expression system using ulight topo2alpha as substrate preincubat...				J Med Chem 60: 6942-6990 (2017) Article DOI: 10.1021/acs.jmedchem.7b00443 BindingDB Entry DOI: 10.7270/Q280552Z
					More data for this Ligand-Target Pair
Beta-adrenergic receptor kinase 1 (Homo sapiens (Human))	BDBM50257386 (CHEMBL4101739) Show SMILES O=C(NCCc1ccccc1)c1cccc(NCc2nc(n[nH]2)-c2ccncc2)c1 Show InChI InChI=1S/C23H22N6O/c30-23(25-14-9-17-5-2-1-3-6-17)19-7-4-8-20(15-19)26-16-21-27-22(29-28-21)18-10-12-24-13-11-18/h1-8,10-13,15,26H,9,14,16H2,(H,25,30)(H,27,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	38	n/a	n/a	n/a	n/a	n/a	n/a
Shonan Research Center, Pharmaceutical Research Division, Takeda Pharmaceutical Co., Ltd. , 26-1, Muraoka-Higashi 2-Chome, Fujisawa, Kanagawa 251-8555, Japan. Curated by ChEMBL					Assay Description Inhibition of human GRK2 expressed in HEK-B2 cells assessed as isoproterenol-stimulated cAMP accumulation preincubation for 20 mins followed by isopr...				J Med Chem 60: 6942-6990 (2017) Article DOI: 10.1021/acs.jmedchem.7b00443 BindingDB Entry DOI: 10.7270/Q280552Z
					More data for this Ligand-Target Pair

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