Compile Data Set for Download or QSAR

Found 294 hits Enz. Inhib. hit(s) with all data for entry = 50000668   

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
Beta-adrenergic receptor kinase 2 (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 NCI pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.650	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 full length GST-tagged GRK3 expressed in baculovirus using ulight topo2alpha as substrate preincubated for 60 mins fo...				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))	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 2 (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 NCI pathway KEGG UniProtKB/SwissProt 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 recombinant human full length GST-tagged GRK3 expressed in baculovirus using ulight topo2alpha as substrate preincubated for 60 mins fo...				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 2 (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 NCI pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.30	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 full length GST-tagged GRK3 expressed in baculovirus using ulight topo2alpha as substrate preincubated for 60 mins fo...				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 2 (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 NCI pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.30	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 full length GST-tagged GRK3 expressed in baculovirus using ulight topo2alpha as substrate preincubated for 60 mins fo...				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 2 (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 NCI pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Patents	PDB Article PubMed	n/a	n/a	5.40	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 full length GST-tagged GRK3 expressed in baculovirus using ulight topo2alpha as substrate preincubated for 60 mins fo...				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))	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))	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
Rho-associated protein kinase 2 (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 KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.30	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 ROCK2 catalytic domain (1 to 553 residues) expressed in baculovirus expression system using STK...				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))	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))	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))	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))	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
Rho-associated protein kinase 2 (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 KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	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 recombinant human N-terminal GST-tagged ROCK2 catalytic domain (1 to 553 residues) expressed in baculovirus expression system using STK...				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	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)
Rho-associated protein kinase 2 (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 KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
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 ROCK2 catalytic domain (1 to 553 residues) expressed in baculovirus expression system using STK...				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))	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
Rho-associated protein kinase 2 (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 KEGG UniProtKB/SwissProt B.MOAD 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 recombinant human N-terminal GST-tagged ROCK2 catalytic domain (1 to 553 residues) expressed in baculovirus expression system using STK...				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 2 (Homo sapiens (Human))	BDBM50257351 (CHEMBL4095595) Show SMILES CNC(=O)c1cccc(NCc2nc(n[nH]2)-c2ccncc2)c1 Show InChI InChI=1S/C16H16N6O/c1-17-16(23)12-3-2-4-13(9-12)19-10-14-20-15(22-21-14)11-5-7-18-8-6-11/h2-9,19H,10H2,1H3,(H,17,23)(H,20,21,22)	PDB NCI pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents 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 recombinant human full length GST-tagged GRK3 expressed in baculovirus using ulight topo2alpha as substrate preincubated for 60 mins fo...				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))	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
Rho-associated protein kinase 2 (Homo sapiens (Human))	BDBM50257504 (CHEMBL4100175) Show SMILES O=C(NCc1ccccc1)c1cccc(NCc2nc(cs2)-c2ccncc2)c1 Show InChI InChI=1S/C23H20N4OS/c28-23(26-14-17-5-2-1-3-6-17)19-7-4-8-20(13-19)25-15-22-27-21(16-29-22)18-9-11-24-12-10-18/h1-13,16,25H,14-15H2,(H,26,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	22	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 ROCK2 catalytic domain (1 to 553 residues) expressed in baculovirus expression system using STK...				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
Rho-associated protein kinase 2 (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 KEGG UniProtKB/SwissProt B.MOAD 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 recombinant human N-terminal GST-tagged ROCK2 catalytic domain (1 to 553 residues) expressed in baculovirus expression system using STK...				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
Rho-associated protein kinase 2 (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 KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
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 ROCK2 catalytic domain (1 to 553 residues) expressed in baculovirus expression system using STK...				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
Rho-associated protein kinase 2 (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 KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	27	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 ROCK2 catalytic domain (1 to 553 residues) expressed in baculovirus expression system using STK...				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
Rho-associated protein kinase 2 (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 KEGG UniProtKB/SwissProt B.MOAD antibodypedia 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
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 ROCK2 catalytic domain (1 to 553 residues) expressed in baculovirus expression system using STK...				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
Rho-associated protein kinase 2 (Homo sapiens (Human))	BDBM50257385 (CHEMBL4076320) Show SMILES O=C(Nc1ccccc1)c1cccc(NCc2nc(n[nH]2)-c2ccncc2)c1 Show InChI InChI=1S/C21H18N6O/c28-21(24-17-6-2-1-3-7-17)16-5-4-8-18(13-16)23-14-19-25-20(27-26-19)15-9-11-22-12-10-15/h1-13,23H,14H2,(H,24,28)(H,25,26,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	31	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 ROCK2 catalytic domain (1 to 553 residues) expressed in baculovirus expression system using STK...				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))	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
Beta-adrenergic receptor kinase 1 (Homo sapiens (Human))	BDBM50257446 (CHEMBL4091573) Show SMILES Cn1c(CNc2cccc(c2)C(=O)NCc2cccc(c2)C(F)(F)F)nnc1-c1ccncc1 Show InChI InChI=1S/C24H21F3N6O/c1-33-21(31-32-22(33)17-8-10-28-11-9-17)15-29-20-7-3-5-18(13-20)23(34)30-14-16-4-2-6-19(12-16)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	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	39	n/a	n/a	n/a	n/a	n/a	n/a
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))	BDBM50257370 (CHEMBL4062560) Show SMILES Clc1ccc(NCc2nc(n[nH]2)-c2ccncc2)cc1 Show InChI InChI=1S/C14H12ClN5/c15-11-1-3-12(4-2-11)17-9-13-18-14(20-19-13)10-5-7-16-8-6-10/h1-8,17H,9H2,(H,18,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	41	n/a	n/a	n/a	n/a	n/a	n/a
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))	BDBM50257401 (CHEMBL4062649) Show SMILES Cc1cnccc1-c1n[nH]c(CNc2cccc(c2)C(=O)NCc2ccccc2)n1 Show InChI InChI=1S/C23H22N6O/c1-16-13-24-11-10-20(16)22-27-21(28-29-22)15-25-19-9-5-8-18(12-19)23(30)26-14-17-6-3-2-4-7-17/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	42	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))	BDBM50257454 (CHEMBL4085247) Show SMILES O=C(CNc1cccc(Oc2ccccc2)c1)N\N=C1/CCCc2cnccc12 Show InChI InChI=1S/C23H22N4O2/c28-23(27-26-22-11-4-6-17-15-24-13-12-21(17)22)16-25-18-7-5-10-20(14-18)29-19-8-2-1-3-9-19/h1-3,5,7-10,12-15,25H,4,6,11,16H2,(H,27,28)/b26-22+	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	42	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))	BDBM50257428 (CHEMBL4075992) Show SMILES COc1ccccc1CNC(=O)c1cccc(NCc2nnc(-c3ccncc3)n2C)c1 Show InChI InChI=1S/C24H24N6O2/c1-30-22(28-29-23(30)17-10-12-25-13-11-17)16-26-20-8-5-7-18(14-20)24(31)27-15-19-6-3-4-9-21(19)32-2/h3-14,26H,15-16H2,1-2H3,(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	44	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))	BDBM50257378 (CHEMBL4072686) Show SMILES NS(=O)(=O)c1cccc(NCc2nc(n[nH]2)-c2ccncc2)c1 Show InChI InChI=1S/C14H14N6O2S/c15-23(21,22)12-3-1-2-11(8-12)17-9-13-18-14(20-19-13)10-4-6-16-7-5-10/h1-8,17H,9H2,(H2,15,21,22)(H,18,19,20)	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	44	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))	BDBM50257427 (CHEMBL4063774) Show SMILES Cn1c(CNc2cccc(c2)C(=O)NCc2ccc(cc2)C(F)(F)F)nnc1-c1ccncc1 Show InChI InChI=1S/C24H21F3N6O/c1-33-21(31-32-22(33)17-9-11-28-12-10-17)15-29-20-4-2-3-18(13-20)23(34)30-14-16-5-7-19(8-6-16)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	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	45	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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