Compile Data Set for Download or QSAR

Found 59 hits of ec50 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))	BDBM61066 (14-benzoylacenaphtho[1',2':4,5]pyrido[2,1-...) Show SMILES [Br-].O=C(c1ccccc1)c1c-2c(cc3sc4ccccc4[n+]13)-c1cccc3cccc-2c13 Show InChI InChI=1S/C28H16NOS.BrH/c30-28(18-8-2-1-3-9-18)27-26-20-13-7-11-17-10-6-12-19(25(17)20)21(26)16-24-29(27)22-14-4-5-15-23(22)31-24;/h1-16H;1H/q+1;/p-1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	60	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support: 1 R03 DA030557-01A1 Project Title: RNA Aptamer-based screen for Selective Inhibitors of ...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q2B56H72
					More data for this Ligand-Target Pair
Beta-adrenergic receptor kinase 1 (Homo sapiens (Human))	BDBM55008 (CEFSULODIN SODIUM SALT | MLS000069560 | SMR0000587...) Show SMILES NC(=O)c1cc[n+](CC2=C(N3[C@H](SC2)[C@H](NC(=O)C(c2ccccc2)S([O-])(=O)=O)C3=O)C([O-])=O)cc1 |t:8| Show InChI InChI=1S/C22H20N4O8S2/c23-18(27)13-6-8-25(9-7-13)10-14-11-35-21-15(20(29)26(21)16(14)22(30)31)24-19(28)17(36(32,33)34)12-4-2-1-3-5-12/h1-9,15,17,21H,10-11H2,(H4-,23,24,27,28,30,31,32,33,34)/p-1/t15-,17?,21-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase KEGG PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	70	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support: 1 R03 DA030557-01A1 Project Title: RNA Aptamer-based screen for Selective Inhibitors of ...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q2B56H72
					More data for this Ligand-Target Pair
Beta-adrenergic receptor kinase 1 (Homo sapiens (Human))	BDBM61723 ((8S)-3-[3-[(2-methyl-1-oxoprop-2-enyl)amino]phenyl...) Show SMILES CCCCCC(=O)N1CC2(C[C@H]1C(N)=O)CC(=NO2)c1cccc(NC(=O)C(C)=C)c1 |c:17| Show InChI InChI=1S/C23H30N4O4/c1-4-5-6-10-20(28)27-14-23(13-19(27)21(24)29)12-18(26-31-23)16-8-7-9-17(11-16)25-22(30)15(2)3/h7-9,11,19H,2,4-6,10,12-14H2,1,3H3,(H2,24,29)(H,25,30)/t19-,23?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	110	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support: 1 R03 DA030557-01A1 Project Title: RNA Aptamer-based screen for Selective Inhibitors of ...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q2B56H72
					More data for this Ligand-Target Pair
Beta-adrenergic receptor kinase 1 (Homo sapiens (Human))	BDBM57870 ((2Z)-1-ethyl-2-[(1-ethyl-6-methyl-2-quinolin-1-ium...) Show SMILES CCN1\C(Sc2ccc3sccc3c12)=C\c1ccc2cc(C)ccc2[n+]1CC Show InChI InChI=1S/C24H23N2S2/c1-4-25-18(8-7-17-14-16(3)6-9-20(17)25)15-23-26(5-2)24-19-12-13-27-21(19)10-11-22(24)28-23/h6-15H,4-5H2,1-3H3/q+1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	120	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support: 1 R03 DA030557-01A1 Project Title: RNA Aptamer-based screen for Selective Inhibitors of ...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q2B56H72
					More data for this Ligand-Target Pair
Beta-adrenergic receptor kinase 1 (Homo sapiens (Human))	BDBM54768 (2-[3-[2-hydroxyethyl(dimethyl)ammonio]propanoylami...) Show SMILES CC(C)(CS([O-])(=O)=O)NC(=O)CC[N+](C)(C)CCO Show InChI InChI=1S/C11H24N2O5S/c1-11(2,9-19(16,17)18)12-10(15)5-6-13(3,4)7-8-14/h14H,5-9H2,1-4H3,(H-,12,15,16,17,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase KEGG PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	670	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support: 1 R03 DA030557-01A1 Project Title: RNA Aptamer-based screen for Selective Inhibitors of ...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q2B56H72
					More data for this Ligand-Target Pair
Beta-adrenergic receptor kinase 1 (Homo sapiens (Human))	BDBM79508 (3-(4-bromophenyl)sulfonyl-N-[(4-methoxyphenyl)meth...) Show SMILES COc1ccc(CNC(=O)CCS(=O)(=O)c2ccc(Br)cc2)cc1 Show InChI InChI=1S/C17H18BrNO4S/c1-23-15-6-2-13(3-7-15)12-19-17(20)10-11-24(21,22)16-8-4-14(18)5-9-16/h2-9H,10-12H2,1H3,(H,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	700	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support: 1 R03 DA030557-01A1 Project Title: RNA Aptamer-based screen for Selective Inhibitors of ...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q2B56H72
					More data for this Ligand-Target Pair
Beta-adrenergic receptor kinase 1 (Homo sapiens (Human))	BDBM79512 (MLS001098232 | N-(6-amino-1-benzyl-2,4-diketo-pyri...) Show SMILES CCCN(C(=O)c1cccc(c1)-n1cccc1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O Show InChI InChI=1S/C25H25N5O3/c1-2-13-29(24(32)19-11-8-12-20(16-19)28-14-6-7-15-28)21-22(26)30(25(33)27-23(21)31)17-18-9-4-3-5-10-18/h3-12,14-16H,2,13,17,26H2,1H3,(H,27,31,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	720	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support: 1 R03 DA030557-01A1 Project Title: RNA Aptamer-based screen for Selective Inhibitors of ...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q2B56H72
					More data for this Ligand-Target Pair
Beta-adrenergic receptor kinase 1 (Homo sapiens (Human))	BDBM50714 ((8S)-7-(4-chlorobenzoyl)-3-(3-methacrylamidophenyl...) Show SMILES CC(=C)C(=O)Nc1cccc(c1)C1=NOC2(C[C@H](N(C2)C(=O)c2ccc(Cl)cc2)C(N)=O)C1 |t:13| Show InChI InChI=1S/C24H23ClN4O4/c1-14(2)22(31)27-18-5-3-4-16(10-18)19-11-24(33-28-19)12-20(21(26)30)29(13-24)23(32)15-6-8-17(25)9-7-15/h3-10,20H,1,11-13H2,2H3,(H2,26,30)(H,27,31)/t20-,24?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	730	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support: 1 R03 DA030557-01A1 Project Title: RNA Aptamer-based screen for Selective Inhibitors of ...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q2B56H72
					More data for this Ligand-Target Pair
Beta-adrenergic receptor kinase 1 (Homo sapiens (Human))	BDBM48719 (4-[2-[(E)-[1-[2-(4-methylanilino)-2-oxoethyl]-2,5-...) Show SMILES Cc1ccc(NC(=O)CN2C(=O)N\C(=C\c3cccn3-c3ccc(cc3)C(O)=O)C2=O)cc1 Show InChI InChI=1S/C24H20N4O5/c1-15-4-8-17(9-5-15)25-21(29)14-28-22(30)20(26-24(28)33)13-19-3-2-12-27(19)18-10-6-16(7-11-18)23(31)32/h2-13H,14H2,1H3,(H,25,29)(H,26,33)(H,31,32)/b20-13+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	1.21E+3	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support: 1 R03 DA030557-01A1 Project Title: RNA Aptamer-based screen for Selective Inhibitors of ...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q2B56H72
					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	n/a	n/a	1.50E+3	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))	BDBM79502 ((8S)-3-[3-[(2-methyl-1-oxoprop-2-enyl)amino]phenyl...) Show SMILES CC(=C)C(=O)Nc1cccc(c1)C1=NOC2(C[C@H](N(C2)C(=O)CC(c2ccccc2)c2ccccc2)C(N)=O)C1 |t:13| Show InChI InChI=1S/C32H32N4O4/c1-21(2)31(39)34-25-15-9-14-24(16-25)27-18-32(40-35-27)19-28(30(33)38)36(20-32)29(37)17-26(22-10-5-3-6-11-22)23-12-7-4-8-13-23/h3-16,26,28H,1,17-20H2,2H3,(H2,33,38)(H,34,39)/t28-,32?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	1.94E+3	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support: 1 R03 DA030557-01A1 Project Title: RNA Aptamer-based screen for Selective Inhibitors of ...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q2B56H72
					More data for this Ligand-Target Pair
Beta-adrenergic receptor kinase 1 (Homo sapiens (Human))	BDBM31759 (2-[5-[(Z)-(3-bromanyl-8-oxidanylidene-[1,3]thiazol...) Show SMILES OC(=O)c1ccccc1-c1ccc(\C=c2/sc3nc4cc(Br)cnc4n3c2=O)o1 Show InChI InChI=1S/C20H10BrN3O4S/c21-10-7-14-17(22-9-10)24-18(25)16(29-20(24)23-14)8-11-5-6-15(28-11)12-3-1-2-4-13(12)19(26)27/h1-9H,(H,26,27)/b16-8-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	PCBioAssay	n/a	n/a	n/a	n/a	2.39E+3	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support: 1 R03 DA030557-01A1 Project Title: RNA Aptamer-based screen for Selective Inhibitors of ...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q2B56H72
					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	n/a	n/a	3.00E+3	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))	BDBM79504 (2-[5-[(Z)-[3-(1-ethoxy-1-oxidanylidene-propan-2-yl...) Show SMILES CCOC(=O)C(C)N1C(=O)S\C(=C/c2ccc(o2)-c2ccccc2C(O)=O)C1=O Show InChI InChI=1S/C20H17NO7S/c1-3-27-19(25)11(2)21-17(22)16(29-20(21)26)10-12-8-9-15(28-12)13-6-4-5-7-14(13)18(23)24/h4-11H,3H2,1-2H3,(H,23,24)/b16-10-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	3.05E+3	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support: 1 R03 DA030557-01A1 Project Title: RNA Aptamer-based screen for Selective Inhibitors of ...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q2B56H72
					More data for this Ligand-Target Pair
Beta-adrenergic receptor kinase 1 (Homo sapiens (Human))	BDBM47934 (MLS000101692 | N-[2-(2-methyl-1-indolyl)ethyl]-2-t...) Show SMILES Cc1cc2ccccc2n1CCNC(=O)c1cccs1 Show InChI InChI=1S/C16H16N2OS/c1-12-11-13-5-2-3-6-14(13)18(12)9-8-17-16(19)15-7-4-10-20-15/h2-7,10-11H,8-9H2,1H3,(H,17,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents	PCBioAssay	n/a	n/a	n/a	n/a	3.50E+3	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support: 1 R03 DA030557-01A1 Project Title: RNA Aptamer-based screen for Selective Inhibitors of ...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q2B56H72
					More data for this Ligand-Target Pair
Beta-adrenergic receptor kinase 1 (Homo sapiens (Human))	BDBM72975 (6-[[3-ethoxy-1-(4-ethoxy-3-methoxy-phenyl)-3-keto-...) Show SMILES CCOC(=O)CC(NS(=O)(=O)c1ccc2ncc(C(O)=O)c(O)c2c1)c1ccc(OCC)c(OC)c1 Show InChI InChI=1S/C24H26N2O9S/c1-4-34-20-9-6-14(10-21(20)33-3)19(12-22(27)35-5-2)26-36(31,32)15-7-8-18-16(11-15)23(28)17(13-25-18)24(29)30/h6-11,13,19,26H,4-5,12H2,1-3H3,(H,25,28)(H,29,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PCBioAssay	n/a	n/a	n/a	n/a	3.62E+3	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support: 1 R03 DA030557-01A1 Project Title: RNA Aptamer-based screen for Selective Inhibitors of ...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q2B56H72
					More data for this Ligand-Target Pair
Beta-adrenergic receptor kinase 1 (Homo sapiens (Human))	BDBM79513 (2-(3-bromophenylcarbamoyl)cyclohexanecarboxylic ac...) Show SMILES OC(=O)C1CCCCC1C(=O)Nc1cccc(Br)c1 Show InChI InChI=1S/C14H16BrNO3/c15-9-4-3-5-10(8-9)16-13(17)11-6-1-2-7-12(11)14(18)19/h3-5,8,11-12H,1-2,6-7H2,(H,16,17)(H,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	3.85E+3	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support: 1 R03 DA030557-01A1 Project Title: RNA Aptamer-based screen for Selective Inhibitors of ...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q2B56H72
					More data for this Ligand-Target Pair
Beta-adrenergic receptor kinase 1 (Homo sapiens (Human))	BDBM79503 ((8S)-3-[3-(caproylamino)phenyl]-7-p-anisoyl-1-oxa-...) Show SMILES CCCCCC(=O)Nc1cccc(c1)C1=NOC2(C[C@H](N(C2)C(=O)c2ccc(OC)cc2)C(N)=O)C1 |t:15| Show InChI InChI=1S/C27H32N4O5/c1-3-4-5-9-24(32)29-20-8-6-7-19(14-20)22-15-27(36-30-22)16-23(25(28)33)31(17-27)26(34)18-10-12-21(35-2)13-11-18/h6-8,10-14,23H,3-5,9,15-17H2,1-2H3,(H2,28,33)(H,29,32)/t23-,27?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	4.38E+3	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support: 1 R03 DA030557-01A1 Project Title: RNA Aptamer-based screen for Selective Inhibitors of ...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q2B56H72
					More data for this Ligand-Target Pair
Beta-adrenergic receptor kinase 1 (Homo sapiens (Human))	BDBM79496 (2-[3-[butyl(dimethyl)ammonio]propanoylamino]-2-met...) Show SMILES CCCC[N+](C)(C)CCC(=O)NC(C)(C)CS([O-])(=O)=O Show InChI InChI=1S/C13H28N2O4S/c1-6-7-9-15(4,5)10-8-12(16)14-13(2,3)11-20(17,18)19/h6-11H2,1-5H3,(H-,14,16,17,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase KEGG PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	4.53E+3	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support: 1 R03 DA030557-01A1 Project Title: RNA Aptamer-based screen for Selective Inhibitors of ...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q2B56H72
					More data for this Ligand-Target Pair
Beta-adrenergic receptor kinase 1 (Homo sapiens (Human))	BDBM79507 (3-(4-bromophenyl)sulfonyl-N-[4-(diethylamino)-2-me...) Show SMILES CCN(CC)c1ccc(NC(=O)CCS(=O)(=O)c2ccc(Br)cc2)c(C)c1 Show InChI InChI=1S/C20H25BrN2O3S/c1-4-23(5-2)17-8-11-19(15(3)14-17)22-20(24)12-13-27(25,26)18-9-6-16(21)7-10-18/h6-11,14H,4-5,12-13H2,1-3H3,(H,22,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	5.01E+3	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support: 1 R03 DA030557-01A1 Project Title: RNA Aptamer-based screen for Selective Inhibitors of ...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q2B56H72
					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	n/a	n/a	7.40E+3	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))	BDBM79511 (MLS001116571 | N-(2-chlorobenzyl)-3-[(3-keto-4H-1,...) Show SMILES CC(CS(=O)(=O)c1ccc2SCC(=O)Nc2c1)C(=O)NCc1ccccc1Cl Show InChI InChI=1S/C19H19ClN2O4S2/c1-12(19(24)21-9-13-4-2-3-5-15(13)20)11-28(25,26)14-6-7-17-16(8-14)22-18(23)10-27-17/h2-8,12H,9-11H2,1H3,(H,21,24)(H,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PCBioAssay	n/a	n/a	n/a	n/a	7.53E+3	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support: 1 R03 DA030557-01A1 Project Title: RNA Aptamer-based screen for Selective Inhibitors of ...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q2B56H72
					More data for this Ligand-Target Pair
Beta-adrenergic receptor kinase 1 (Homo sapiens (Human))	BDBM53121 ((5E)-5-(2-furanylmethylidene)-1-(4-methoxyphenyl)-...) Show SMILES COc1ccc(cc1)N1C(=S)NC(=O)C(=Cc2ccco2)C1=O |w:15.16| Show InChI InChI=1S/C16H12N2O4S/c1-21-11-6-4-10(5-7-11)18-15(20)13(14(19)17-16(18)23)9-12-3-2-8-22-12/h2-9H,1H3,(H,17,19,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	7.83E+3	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support: 1 R03 DA030557-01A1 Project Title: RNA Aptamer-based screen for Selective Inhibitors of ...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q2B56H72
					More data for this Ligand-Target Pair
Beta-adrenergic receptor kinase 1 (Homo sapiens (Human))	BDBM79499 (MLS001004100 | N-[1-oxo-2-[(4-oxo-3-phenyl-2-quina...) Show SMILES O=C(CSc1nc2ccccc2c(=O)n1-c1ccccc1)NC(=O)CN1CCCC1=O Show InChI InChI=1S/C22H20N4O4S/c27-18(13-25-12-6-11-20(25)29)24-19(28)14-31-22-23-17-10-5-4-9-16(17)21(30)26(22)15-7-2-1-3-8-15/h1-5,7-10H,6,11-14H2,(H,24,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	9.42E+3	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support: 1 R03 DA030557-01A1 Project Title: RNA Aptamer-based screen for Selective Inhibitors of ...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q2B56H72
					More data for this Ligand-Target Pair
Beta-adrenergic receptor kinase 1 (Homo sapiens (Human))	BDBM51787 (2-chloranyl-4-[5-[(1-oxidanylidene-[1,3]thiazolo[3...) Show SMILES OC(=O)c1ccc(cc1Cl)-c1ccc(C=c2sc3nc4ccccc4n3c2=O)o1 Show InChI InChI=1S/C21H11ClN2O4S/c22-14-9-11(5-7-13(14)20(26)27)17-8-6-12(28-17)10-18-19(25)24-16-4-2-1-3-15(16)23-21(24)29-18/h1-10H,(H,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	9.71E+3	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support: 1 R03 DA030557-01A1 Project Title: RNA Aptamer-based screen for Selective Inhibitors of ...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q2B56H72
					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	n/a	n/a	1.00E+4	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))	BDBM79501 ((8S)-7-(3,5-dinitrobenzoyl)-3-(3-methacrylamidophe...) Show SMILES CC(=C)C(=O)Nc1cccc(c1)[C+]1CC2(CC(N(C2)C(=O)c2cc(cc(c2)[N+]([O-])=O)[N+]([O-])=O)C(N)=O)O[N-]1 Show InChI InChI=1S/C24H22N6O8/c1-13(2)22(32)26-16-5-3-4-14(6-16)19-10-24(38-27-19)11-20(21(25)31)28(12-24)23(33)15-7-17(29(34)35)9-18(8-15)30(36)37/h3-9,20H,1,10-12H2,2H3,(H2,25,31)(H,26,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	1.06E+4	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support: 1 R03 DA030557-01A1 Project Title: RNA Aptamer-based screen for Selective Inhibitors of ...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q2B56H72
					More data for this Ligand-Target Pair
Beta-adrenergic receptor kinase 1 (Homo sapiens (Human))	BDBM79510 (3-(5-bromanylthiophen-2-yl)sulfonyl-N-(2-methylphe...) Show SMILES Cc1ccccc1NC(=O)CCS(=O)(=O)c1ccc(Br)s1 Show InChI InChI=1S/C14H14BrNO3S2/c1-10-4-2-3-5-11(10)16-13(17)8-9-21(18,19)14-7-6-12(15)20-14/h2-7H,8-9H2,1H3,(H,16,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	1.11E+4	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support: 1 R03 DA030557-01A1 Project Title: RNA Aptamer-based screen for Selective Inhibitors of ...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q2B56H72
					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	n/a	n/a	1.20E+4	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))	BDBM79500 ((8R)-3-[3-(2-methylprop-2-enoylamino)phenyl]-7-(ph...) Show SMILES CC(=C)C(=O)Nc1cccc(c1)C1=NOC2(C[C@@H](N(C2)C(=O)c2ccccc2)C(N)=O)C1 |t:13| Show InChI InChI=1S/C24H24N4O4/c1-15(2)22(30)26-18-10-6-9-17(11-18)19-12-24(32-27-19)13-20(21(25)29)28(14-24)23(31)16-7-4-3-5-8-16/h3-11,20H,1,12-14H2,2H3,(H2,25,29)(H,26,30)/t20-,24?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	1.25E+4	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support: 1 R03 DA030557-01A1 Project Title: RNA Aptamer-based screen for Selective Inhibitors of ...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q2B56H72
					More data for this Ligand-Target Pair
Beta-adrenergic receptor kinase 1 (Homo sapiens (Human))	BDBM79514 (Erythrosin B | MLS001335987 | SMR000875321 | US117...) Show SMILES [O-]C(=O)c1ccccc1-c1c2cc(I)c([O-])c(I)c2oc2c(I)c(=O)c(I)cc12 |(5.85,4.65,;5.85,3.11,;4.52,2.34,;7.18,2.34,;7.18,3.88,;8.52,4.65,;9.85,3.88,;9.85,2.34,;8.52,1.57,;8.52,.03,;9.85,-.74,;11.23,.08,;12.62,-.71,;13.95,.06,;12.62,-2.32,;13.95,-3.09,;11.23,-3.11,;11.21,-4.65,;9.85,-2.28,;8.52,-3.05,;7.18,-2.28,;5.81,-3.11,;5.82,-4.65,;4.41,-2.32,;3.08,-3.09,;4.41,-.71,;3.08,.06,;5.81,.08,;7.18,-.74,)| Show InChI InChI=1S/C20H8I4O5/c21-11-5-9-13(7-3-1-2-4-8(7)20(27)28)10-6-12(22)17(26)15(24)19(10)29-18(9)14(23)16(11)25/h1-6,25H,(H,27,28)/p-2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	1.47E+4	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support: 1 R03 DA030557-01A1 Project Title: RNA Aptamer-based screen for Selective Inhibitors of ...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q2B56H72
					More data for this Ligand-Target Pair
Beta-adrenergic receptor kinase 1 (Homo sapiens (Human))	BDBM31715 (3-[(4Z)-4-[(E)-3-(2-furanyl)prop-2-enylidene]-3-me...) Show SMILES OC(=O)c1cccc(c1)-n1[nH]c(=C)c(=CC=Cc2ccco2)c1=O |w:14.15| Show InChI InChI=1S/C18H14N2O4/c1-12-16(9-3-7-15-8-4-10-24-15)17(21)20(19-12)14-6-2-5-13(11-14)18(22)23/h2-11,19H,1H2,(H,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	1.48E+4	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support: 1 R03 DA030557-01A1 Project Title: RNA Aptamer-based screen for Selective Inhibitors of ...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q2B56H72
					More data for this Ligand-Target Pair
Beta-adrenergic receptor kinase 1 (Homo sapiens (Human))	BDBM79509 (3-(4-bromophenyl)sulfonyl-N-(2-methoxy-5-nitro-phe...) Show SMILES COc1ccc(cc1NC(=O)CCS(=O)(=O)c1ccc(Br)cc1)[N+]([O-])=O Show InChI InChI=1S/C16H15BrN2O6S/c1-25-15-7-4-12(19(21)22)10-14(15)18-16(20)8-9-26(23,24)13-5-2-11(17)3-6-13/h2-7,10H,8-9H2,1H3,(H,18,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	n/a	n/a	1.50E+4	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support: 1 R03 DA030557-01A1 Project Title: RNA Aptamer-based screen for Selective Inhibitors of ...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q2B56H72
					More data for this Ligand-Target Pair
Beta-adrenergic receptor kinase 1 (Homo sapiens (Human))	BDBM54944 (3-[(E)-(5-chloro-2-hydroxyphenyl)diazenyl]-4,5-dih...) Show SMILES Oc1ccc(Cl)cc1N=Nc1c(O)c2c(O)cc(cc2cc1S([O-])(=O)=O)S([O-])(=O)=O |w:9.10| Show InChI InChI=1S/C16H11ClN2O9S2/c17-8-1-2-11(20)10(5-8)18-19-15-13(30(26,27)28)4-7-3-9(29(23,24)25)6-12(21)14(7)16(15)22/h1-6,20-22H,(H,23,24,25)(H,26,27,28)/p-2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	1.63E+4	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support: 1 R03 DA030557-01A1 Project Title: RNA Aptamer-based screen for Selective Inhibitors of ...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q2B56H72
					More data for this Ligand-Target Pair
Beta-adrenergic receptor kinase 1 (Homo sapiens (Human))	BDBM64129 (MLS001202278 | N-(2-ethylphenyl)-3-(4-methoxypheny...) Show SMILES CCc1ccccc1NC(=O)CCS(=O)(=O)c1ccc(OC)cc1 Show InChI InChI=1S/C18H21NO4S/c1-3-14-6-4-5-7-17(14)19-18(20)12-13-24(21,22)16-10-8-15(23-2)9-11-16/h4-11H,3,12-13H2,1-2H3,(H,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PCBioAssay	n/a	n/a	n/a	n/a	1.78E+4	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support: 1 R03 DA030557-01A1 Project Title: RNA Aptamer-based screen for Selective Inhibitors of ...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q2B56H72
					More data for this Ligand-Target Pair
Beta-adrenergic receptor kinase 1 (Homo sapiens (Human))	BDBM50236 (1-Chloro-2-(2-nitro-phenylsulfanyl)-2,3,3a,4,5,9b-...) Show SMILES OC(=O)C1Nc2c(cccc2C(O)=O)C2C(Cl)C(CC12)Sc1ccccc1[N+]([O-])=O Show InChI InChI=1S/C20H17ClN2O6S/c21-16-14(30-13-7-2-1-6-12(13)23(28)29)8-11-15(16)9-4-3-5-10(19(24)25)17(9)22-18(11)20(26)27/h1-7,11,14-16,18,22H,8H2,(H,24,25)(H,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	1.94E+4	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support: 1 R03 DA030557-01A1 Project Title: RNA Aptamer-based screen for Selective Inhibitors of ...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q2B56H72
					More data for this Ligand-Target Pair
Beta-adrenergic receptor kinase 1 (Homo sapiens (Human))	BDBM50715 ((8R)-3-[3-[(2-methyl-1-oxoprop-2-enyl)amino]phenyl...) Show SMILES C\C=C\C(=O)N1CC2(C[C@@H]1C(N)=O)CC(=NO2)c1cccc(NC(=O)C(C)=C)c1 |c:15| Show InChI InChI=1S/C21H24N4O4/c1-4-6-18(26)25-12-21(11-17(25)19(22)27)10-16(24-29-21)14-7-5-8-15(9-14)23-20(28)13(2)3/h4-9,17H,2,10-12H2,1,3H3,(H2,22,27)(H,23,28)/b6-4+/t17-,21?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	2.13E+4	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support: 1 R03 DA030557-01A1 Project Title: RNA Aptamer-based screen for Selective Inhibitors of ...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q2B56H72
					More data for this Ligand-Target Pair
Beta-adrenergic receptor kinase 1 (Homo sapiens (Human))	BDBM48373 (MLS000081944 | N-(2-furanylmethyl)-2-[(6-methyl-4-...) Show SMILES Cc1cc(=O)[nH]c(SCC(=O)NCc2ccco2)n1 Show InChI InChI=1S/C12H13N3O3S/c1-8-5-10(16)15-12(14-8)19-7-11(17)13-6-9-3-2-4-18-9/h2-5H,6-7H2,1H3,(H,13,17)(H,14,15,16)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	n/a	n/a	2.21E+4	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support: 1 R03 DA030557-01A1 Project Title: RNA Aptamer-based screen for Selective Inhibitors of ...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q2B56H72
					More data for this Ligand-Target Pair
Beta-adrenergic receptor kinase 1 (Homo sapiens (Human))	BDBM34235 (2-[[7-[(Z)-3-chlorobut-2-enyl]-2,6-diketo-3-methyl...) Show SMILES CCOC(=O)C(C)Sc1nc2n(C)c(=O)[nH]c(=O)c2n1C\C=C(\C)Cl Show InChI InChI=1S/C15H19ClN4O4S/c1-5-24-13(22)9(3)25-15-17-11-10(20(15)7-6-8(2)16)12(21)18-14(23)19(11)4/h6,9H,5,7H2,1-4H3,(H,18,21,23)/b8-6-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	PCBioAssay	n/a	n/a	n/a	n/a	2.21E+4	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support: 1 R03 DA030557-01A1 Project Title: RNA Aptamer-based screen for Selective Inhibitors of ...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q2B56H72
					More data for this Ligand-Target Pair
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	n/a	n/a	2.30E+4	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))	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	n/a	n/a	2.60E+4	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	n/a	n/a	>3.00E+4	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))	BDBM50257436 (CHEMBL4091067) Show SMILES CC(C)n1c(CNc2cccc(c2)C(=O)NCc2ccccc2)nnc1-c1ccncc1 Show InChI InChI=1S/C25H26N6O/c1-18(2)31-23(29-30-24(31)20-11-13-26-14-12-20)17-27-22-10-6-9-21(15-22)25(32)28-16-19-7-4-3-5-8-19/h3-15,18,27H,16-17H2,1-2H3,(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	n/a	n/a	>3.00E+4	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))	BDBM79497 (1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-keto-pyrrol...) Show SMILES OC(=O)C1CN(C(=O)C1)c1ccc2OCCOc2c1 Show InChI InChI=1S/C13H13NO5/c15-12-5-8(13(16)17)7-14(12)9-1-2-10-11(6-9)19-4-3-18-10/h1-2,6,8H,3-5,7H2,(H,16,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	3.09E+4	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support: 1 R03 DA030557-01A1 Project Title: RNA Aptamer-based screen for Selective Inhibitors of ...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q2B56H72
					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	n/a	n/a	3.30E+4	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))	BDBM53267 (4-[2-[(E)-[2,4-bis(oxidanylidene)-3-(2-oxidanylide...) Show SMILES OC(=O)c1ccc(cc1)-n1cccc1\C=C1\SC(=O)N(CC(=O)N2CCCC2)C1=O Show InChI InChI=1S/C21H19N3O5S/c25-18(22-9-1-2-10-22)13-24-19(26)17(30-21(24)29)12-16-4-3-11-23(16)15-7-5-14(6-8-15)20(27)28/h3-8,11-12H,1-2,9-10,13H2,(H,27,28)/b17-12+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	3.30E+4	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support: 1 R03 DA030557-01A1 Project Title: RNA Aptamer-based screen for Selective Inhibitors of ...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q2B56H72
					More data for this Ligand-Target Pair
Beta-adrenergic receptor kinase 1 (Homo sapiens (Human))	BDBM54754 (3-[(4-ketocyclohexa-2,5-dien-1-ylidene)methyl]-2,4...) Show SMILES OC(=O)c1c2CCC(=Cc3ccc(O)cc3)c2nc2ccccc12 |w:8.8| Show InChI InChI=1S/C20H15NO3/c22-14-8-5-12(6-9-14)11-13-7-10-16-18(20(23)24)15-3-1-2-4-17(15)21-19(13)16/h1-6,8-9,11,22H,7,10H2,(H,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	3.33E+4	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support: 1 R03 DA030557-01A1 Project Title: RNA Aptamer-based screen for Selective Inhibitors of ...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q2B56H72
					More data for this Ligand-Target Pair
Beta-adrenergic receptor kinase 1 (Homo sapiens (Human))	BDBM79498 (2-(4-pyrrol-1-ylphenyl)acetic acid | 2-(4-pyrrol-1...) Show SMILES OC(=O)Cc1ccc(cc1)-n1cccc1 Show InChI InChI=1S/C12H11NO2/c14-12(15)9-10-3-5-11(6-4-10)13-7-1-2-8-13/h1-8H,9H2,(H,14,15)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	3.62E+4	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support: 1 R03 DA030557-01A1 Project Title: RNA Aptamer-based screen for Selective Inhibitors of ...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q2B56H72
					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	n/a	n/a	4.10E+4	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	n/a	n/a	4.50E+4	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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