Compile Data Set for Download or QSAR

Found 30 hits Enz. Inhib. hit(s) with Target = 'Beta-adrenergic receptor kinase 2'   

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))	BDBM525308 (US11173144, Compound 72) Show SMILES COc1ccccc1CC(C)NC[C@H](O)COc1cccc2[nH]nc(C)c12 |r| Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.00900	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description ADRB2 IC50 from binding assay(nM), Determined using the Tag-lite Adrenoceptor Beta2 receptor ligand binding assay.				Citation and Details BindingDB Entry DOI: 10.7270/Q2D50R4Z
					More data for this Ligand-Target Pair
Beta-adrenergic receptor kinase 2 (Homo sapiens (Human))	BDBM525317 (US11173144, Compound 90) Show SMILES COCC(C)(C)NC[C@H](O)COc1cccc2[nH]nc(C)c12 |r| Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0190	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description ADRB2 IC50 from binding assay(nM), Determined using the Tag-lite Adrenoceptor Beta2 receptor ligand binding assay.				Citation and Details BindingDB Entry DOI: 10.7270/Q2D50R4Z
					More data for this Ligand-Target Pair
Beta-adrenergic receptor kinase 2 (Homo sapiens (Human))	BDBM525320 (US11173144, Compound 52) Show SMILES COc1ccccc1OCCNC[C@H](O)COc1cccc2[nH]nc(C)c12 |r| Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0240	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description ADRB2 IC50 from binding assay(nM), Determined using the Tag-lite Adrenoceptor Beta2 receptor ligand binding assay.				Citation and Details BindingDB Entry DOI: 10.7270/Q2D50R4Z
					More data for this Ligand-Target Pair
Beta-adrenergic receptor kinase 2 (Homo sapiens (Human))	BDBM525316 (US11173144, Compound 69) Show SMILES Cc1n[nH]c2cccc(OC[C@@H](O)CNCCc3ccccc3C(F)(F)F)c12 |r| Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0480	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description ADRB2 IC50 from binding assay(nM), Determined using the Tag-lite Adrenoceptor Beta2 receptor ligand binding assay.				Citation and Details BindingDB Entry DOI: 10.7270/Q2D50R4Z
					More data for this Ligand-Target Pair
Beta-adrenergic receptor kinase 2 (Homo sapiens (Human))	BDBM525318 (US11173144, Compound 75) Show SMILES Cc1n[nH]c2cccc(OC[C@@H](O)CNC(C)(C)C)c12 |r| Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0650	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description ADRB2 IC50 from binding assay(nM), Determined using the Tag-lite Adrenoceptor Beta2 receptor ligand binding assay.				Citation and Details BindingDB Entry DOI: 10.7270/Q2D50R4Z
					More data for this Ligand-Target Pair
Beta-adrenergic receptor kinase 2 (Homo sapiens (Human))	BDBM525322 (US11173144, Compound 86) Show SMILES Cc1n[nH]c2cccc(OC[C@@H](O)CNC(C)(C)COc3ccccn3)c12 |r| Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.144	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description ADRB2 IC50 from binding assay(nM), Determined using the Tag-lite Adrenoceptor Beta2 receptor ligand binding assay.				Citation and Details BindingDB Entry DOI: 10.7270/Q2D50R4Z
					More data for this Ligand-Target Pair
Beta-adrenergic receptor kinase 2 (Homo sapiens (Human))	BDBM525319 (US11173144, Compound 87) Show SMILES Cc1n[nH]c2cccc(OC[C@@H](O)CNCCOc3ccccn3)c12 |r| Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.230	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description ADRB2 IC50 from binding assay(nM), Determined using the Tag-lite Adrenoceptor Beta2 receptor ligand binding assay.				Citation and Details BindingDB Entry DOI: 10.7270/Q2D50R4Z
					More data for this Ligand-Target Pair
Beta-adrenergic receptor kinase 2 (Homo sapiens (Human))	BDBM525321 (US11173144, Compound 55) Show SMILES COc1ccc(OCCNC[C@H](O)COc2cccc3[nH]nc(C)c23)cc1OC |r| Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.380	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description ADRB2 IC50 from binding assay(nM), Determined using the Tag-lite Adrenoceptor Beta2 receptor ligand binding assay.				Citation and Details BindingDB Entry DOI: 10.7270/Q2D50R4Z
					More data for this Ligand-Target Pair
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 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 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 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 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
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01511 BindingDB Entry DOI: 10.7270/Q22Z19M2
					More data for this Ligand-Target Pair				3D Structure (crystal)
Beta-adrenergic receptor kinase 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 2 (Homo sapiens (Human))	BDBM3149 (2-{[2,6-dihydroxy-4-({[(3R,4R)-3-[(4-hydroxybenzen...) Show SMILES OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CCCNC[C@H]1NC(=O)c1ccc(O)cc1 |r| Show InChI InChI=1S/C28H26N2O10/c31-16-8-6-14(7-9-16)26(36)30-18-13-29-10-2-5-22(18)40-28(39)15-11-20(33)24(21(34)12-15)25(35)23-17(27(37)38)3-1-4-19(23)32/h1,3-4,6-9,11-12,18,22,29,31-34H,2,5,10,13H2,(H,30,36)(H,37,38)/t18-,22-/m1/s1	PDB NCI pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	47	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Inhibition of GRK3-mediated bovine tubulin phosphorylation by scintillation counting				J Med Chem 53: 1867-70 (2010) Article DOI: 10.1021/jm9017515 BindingDB Entry DOI: 10.7270/Q2P26Z8Z
					More data for this Ligand-Target Pair
Beta-adrenergic receptor kinase 2 (Homo sapiens (Human))	BDBM2579 ((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...) Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1	PDB NCI pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	850	n/a	n/a	n/a	n/a	n/a	n/a
University of Florida Curated by ChEMBL					Assay Description Inhibition of human GRK3 using casein as substrate by [gamma-33P]-ATP assay				Eur J Med Chem 161: 456-467 (2019) Article DOI: 10.1016/j.ejmech.2018.10.052 BindingDB Entry DOI: 10.7270/Q2W380MT
					More data for this Ligand-Target Pair
Beta-adrenergic receptor kinase 2 (Homo sapiens (Human))	BDBM2579 ((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...) Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1	PDB NCI pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	861	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human GRK3 using casein as substrate by [gamma-33P]-ATP assay				Citation and Details Article DOI: 10.1016/j.bmc.2018.02.022 BindingDB Entry DOI: 10.7270/Q2DJ5KB8
					More data for this Ligand-Target Pair
Beta-adrenergic receptor kinase 2 (Bos taurus)	BDBM50191311 (CHEMBL3950887) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)N)[C@@H](C)O)C(C)C)[C@@H](C)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(O)=O)C(O)=O |r| Show InChI InChI=1S/C93H143N23O29/c1-11-47(6)72(88(140)116-74(50(9)119)90(142)111-66(44-117)86(138)105-60(92(144)145)33-36-70(126)127)113-85(137)64(41-53-23-16-13-17-24-53)109-83(135)63(42-54-27-29-55(121)30-28-54)108-84(136)65(43-68(97)123)110-89(141)73(49(8)118)115-87(139)71(46(4)5)112-91(143)75(51(10)120)114-80(132)58(31-34-67(96)122)103-81(133)61(39-45(2)3)106-78(130)57(26-20-38-100-93(98)99)102-79(131)59(32-35-69(124)125)104-82(134)62(40-52-21-14-12-15-22-52)107-77(129)56(25-18-19-37-94)101-76(128)48(7)95/h12-17,21-24,27-30,45-51,56-66,71-75,117-121H,11,18-20,25-26,31-44,94-95H2,1-10H3,(H2,96,122)(H2,97,123)(H,101,128)(H,102,131)(H,103,133)(H,104,134)(H,105,138)(H,106,130)(H,107,129)(H,108,136)(H,109,135)(H,110,141)(H,111,142)(H,112,143)(H,113,137)(H,114,132)(H,115,139)(H,116,140)(H,124,125)(H,126,127)(H,144,145)(H4,98,99,100)/t47-,48-,49+,50+,51+,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,71-,72-,73-,74-,75-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Messina Curated by ChEMBL					Assay Description Inhibition of recombinant bovine GRK3 expressed in Sf9 insect cells assessed as decrease in phosphorylation of urea-washed bovine rod outer segments ...				J Med Chem 59: 9277-9294 (2016) BindingDB Entry DOI: 10.7270/Q2348NB9
					More data for this Ligand-Target Pair
Beta-adrenergic receptor kinase 2 (Bos taurus)	BDBM50191313 (CHEMBL3931500) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@@H](N)CCCCN)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(O)=O)C(O)=O |r| Show InChI InChI=1S/C112H178N28O34/c1-15-56(7)85(135-92(154)59(10)122-107(169)87(60(11)142)137-93(155)68(115)32-23-25-45-113)105(167)121-58(9)91(153)123-69(33-24-26-46-114)94(156)129-75(49-64-28-19-17-20-29-64)99(161)126-72(40-43-82(149)150)96(158)124-70(34-27-47-120-112(118)119)95(157)128-74(48-54(3)4)98(160)125-71(39-42-80(116)147)97(159)138-90(63(14)145)110(172)134-84(55(5)6)104(166)139-88(61(12)143)108(170)132-78(52-81(117)148)101(163)130-76(51-66-35-37-67(146)38-36-66)100(162)131-77(50-65-30-21-18-22-31-65)102(164)136-86(57(8)16-2)106(168)140-89(62(13)144)109(171)133-79(53-141)103(165)127-73(111(173)174)41-44-83(151)152/h17-22,28-31,35-38,54-63,68-79,84-90,141-146H,15-16,23-27,32-34,39-53,113-115H2,1-14H3,(H2,116,147)(H2,117,148)(H,121,167)(H,122,169)(H,123,153)(H,124,158)(H,125,160)(H,126,161)(H,127,165)(H,128,157)(H,129,156)(H,130,163)(H,131,162)(H,132,170)(H,133,171)(H,134,172)(H,135,154)(H,136,164)(H,137,155)(H,138,159)(H,139,166)(H,140,168)(H,149,150)(H,151,152)(H,173,174)(H4,118,119,120)/t56-,57-,58-,59-,60+,61+,62+,63+,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,84-,85-,86-,87-,88-,89-,90-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	6.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Messina Curated by ChEMBL					Assay Description Inhibition of recombinant bovine GRK3 expressed in Sf9 insect cells assessed as decrease in phosphorylation of urea-washed bovine rod outer segments ...				J Med Chem 59: 9277-9294 (2016) BindingDB Entry DOI: 10.7270/Q2348NB9
					More data for this Ligand-Target Pair
Beta-adrenergic receptor kinase 2 (Homo sapiens (Human))	BDBM50566949 (CHEMBL4877302) Show SMILES CCc1cc(Nc2nc(NCc3ccc(Cl)cc3OC)nc3cccc(OC)c23)n[nH]1 Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human GRK3 using casein as substrate in presence of [gamma33P]ATP by radiometric hotspot kinase assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00506 BindingDB Entry DOI: 10.7270/Q20K2D97
					More data for this Ligand-Target Pair
Beta-adrenergic receptor kinase 2 (Homo sapiens (Human))	BDBM50566947 (CHEMBL4847703) Show SMILES CCc1cc(Nc2nc(NCc3ccc(F)cn3)nc3cccc(OC)c23)n[nH]1 Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human GRK3 using casein as substrate in presence of [gamma33P]ATP by radiometric hotspot kinase assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00506 BindingDB Entry DOI: 10.7270/Q20K2D97
					More data for this Ligand-Target Pair
Beta-adrenergic receptor kinase 2 (Homo sapiens (Human))	BDBM50566946 (CHEMBL4854871) Show SMILES CCc1cc(Nc2nc(N[C@@H](C)c3ccc(F)cn3)nc3cccc(OC)c23)n[nH]1 |r| Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human GRK3 using casein as substrate in presence of [gamma33P]ATP by radiometric hotspot kinase assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00506 BindingDB Entry DOI: 10.7270/Q20K2D97
					More data for this Ligand-Target Pair
Beta-adrenergic receptor kinase 2 (Homo sapiens (Human))	BDBM50519662 (CHEMBL4438748) Show SMILES CN(C)c1ccc(cc1)C(=O)Nc1cccc(NC(=O)COc2ccc3c(c2)occc3=O)c1 Show InChI InChI=1S/C26H23N3O5/c1-29(2)20-8-6-17(7-9-20)26(32)28-19-5-3-4-18(14-19)27-25(31)16-34-21-10-11-22-23(30)12-13-33-24(22)15-21/h3-15H,16H2,1-2H3,(H,27,31)(H,28,32)	PDB NCI pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of recombinant full length human GRK3 using casein as substrate after 40 mins in presence of [gamma-33ATP] by radiometric scintillation co...				J Med Chem 62: 10691-10710 (2019) Article DOI: 10.1021/acs.jmedchem.9b01143 BindingDB Entry DOI: 10.7270/Q2MC93FG
					More data for this Ligand-Target Pair
Beta-adrenergic receptor kinase 2 (Homo sapiens (Human))	BDBM50135286 (CHEMBL3745885) Show SMILES Cn1c2nc(Nc3ccc4[nH]ccc4c3)ncc2cc(c1=O)S(=O)(=O)c1ccc(F)cc1F Show InChI InChI=1S/C22H15F2N5O3S/c1-29-20-13(9-19(21(29)30)33(31,32)18-5-2-14(23)10-16(18)24)11-26-22(28-20)27-15-3-4-17-12(8-15)6-7-25-17/h2-11,25H,1H3,(H,26,27,28)	PDB NCI pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Icahn School of Medicine at Mount Sinai Curated by ChEMBL					Assay Description Inhibition of human GRK3 using casein as substrate				Bioorg Med Chem 24: 521-44 (2016) Article DOI: 10.1016/j.bmc.2015.11.045 BindingDB Entry DOI: 10.7270/Q24Q7WT8
					More data for this Ligand-Target Pair
Beta-adrenergic receptor kinase 2 (Bos taurus)	BDBM50191319 (CHEMBL3942164) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@@H](N)CCCCN)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(N)=O)C(O)=O |r| Show InChI InChI=1S/C76H130N22O23/c1-12-38(6)57(95-62(107)40(8)86-72(117)58(41(9)99)96-63(108)45(79)23-16-18-30-77)71(116)85-39(7)61(106)87-46(24-17-19-31-78)64(109)92-51(34-44-21-14-13-15-22-44)69(114)90-49(27-29-55(104)105)66(111)88-47(25-20-32-84-76(82)83)65(110)91-50(33-36(2)3)68(113)89-48(26-28-53(80)102)67(112)97-60(43(11)101)74(119)94-56(37(4)5)70(115)98-59(42(10)100)73(118)93-52(75(120)121)35-54(81)103/h13-15,21-22,36-43,45-52,56-60,99-101H,12,16-20,23-35,77-79H2,1-11H3,(H2,80,102)(H2,81,103)(H,85,116)(H,86,117)(H,87,106)(H,88,111)(H,89,113)(H,90,114)(H,91,110)(H,92,109)(H,93,118)(H,94,119)(H,95,107)(H,96,108)(H,97,112)(H,98,115)(H,104,105)(H,120,121)(H4,82,83,84)/t38-,39-,40-,41+,42+,43+,45-,46-,47-,48-,49-,50-,51-,52-,56-,57-,58-,59-,60-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.16E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Messina Curated by ChEMBL					Assay Description Inhibition of recombinant bovine GRK3 expressed in Sf9 insect cells assessed as decrease in phosphorylation of urea-washed bovine rod outer segments ...				J Med Chem 59: 9277-9294 (2016) BindingDB Entry DOI: 10.7270/Q2348NB9
					More data for this Ligand-Target Pair
Beta-adrenergic receptor kinase 2 (Bos taurus)	BDBM50191326 (CHEMBL3953837) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@@H](N)CCC(O)=O)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(O)=O |r| Show InChI InChI=1S/C112H178N28O34/c1-15-56(7)85(135-92(154)59(10)122-107(169)87(60(11)142)137-93(155)68(115)39-43-82(149)150)105(167)121-58(9)91(153)123-69(32-23-25-45-113)94(156)129-75(49-64-28-19-17-20-29-64)99(161)126-72(41-44-83(151)152)96(158)124-70(34-27-47-120-112(118)119)95(157)128-74(48-54(3)4)98(160)125-71(40-42-80(116)147)97(159)138-90(63(14)145)110(172)134-84(55(5)6)104(166)139-88(61(12)143)108(170)132-78(52-81(117)148)101(163)130-76(51-66-35-37-67(146)38-36-66)100(162)131-77(50-65-30-21-18-22-31-65)102(164)136-86(57(8)16-2)106(168)140-89(62(13)144)109(171)133-79(53-141)103(165)127-73(111(173)174)33-24-26-46-114/h17-22,28-31,35-38,54-63,68-79,84-90,141-146H,15-16,23-27,32-34,39-53,113-115H2,1-14H3,(H2,116,147)(H2,117,148)(H,121,167)(H,122,169)(H,123,153)(H,124,158)(H,125,160)(H,126,161)(H,127,165)(H,128,157)(H,129,156)(H,130,163)(H,131,162)(H,132,170)(H,133,171)(H,134,172)(H,135,154)(H,136,164)(H,137,155)(H,138,159)(H,139,166)(H,140,168)(H,149,150)(H,151,152)(H,173,174)(H4,118,119,120)/t56-,57-,58-,59-,60+,61+,62+,63+,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,84-,85-,86-,87-,88-,89-,90-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.26E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Messina Curated by ChEMBL					Assay Description Inhibition of recombinant bovine GRK3 expressed in Sf9 insect cells assessed as decrease in phosphorylation of urea-washed bovine rod outer segments ...				J Med Chem 59: 9277-9294 (2016) BindingDB Entry DOI: 10.7270/Q2348NB9
					More data for this Ligand-Target Pair
Beta-adrenergic receptor kinase 2 (Bos taurus)	BDBM50191312 (CHEMBL3900757) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@@H](N)CCCCN)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(O)=O |r| Show InChI InChI=1S/C113H183N29O32/c1-15-58(7)86(137-93(154)61(10)124-108(169)88(62(11)144)139-94(155)70(117)34-23-26-46-114)106(167)123-60(9)92(153)125-71(35-24-27-47-115)95(156)131-77(51-66-30-19-17-20-31-66)100(161)128-74(43-45-84(151)152)97(158)126-72(37-29-49-122-113(120)121)96(157)130-76(50-56(3)4)99(160)127-73(42-44-82(118)149)98(159)140-91(65(14)147)111(172)136-85(57(5)6)105(166)141-89(63(12)145)109(170)134-80(54-83(119)150)102(163)132-78(53-68-38-40-69(148)41-39-68)101(162)133-79(52-67-32-21-18-22-33-67)103(164)138-87(59(8)16-2)107(168)142-90(64(13)146)110(171)135-81(55-143)104(165)129-75(112(173)174)36-25-28-48-116/h17-22,30-33,38-41,56-65,70-81,85-91,143-148H,15-16,23-29,34-37,42-55,114-117H2,1-14H3,(H2,118,149)(H2,119,150)(H,123,167)(H,124,169)(H,125,153)(H,126,158)(H,127,160)(H,128,161)(H,129,165)(H,130,157)(H,131,156)(H,132,163)(H,133,162)(H,134,170)(H,135,171)(H,136,172)(H,137,154)(H,138,164)(H,139,155)(H,140,159)(H,141,166)(H,142,168)(H,151,152)(H,173,174)(H4,120,121,122)/t58-,59-,60-,61-,62+,63+,64+,65+,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,85-,86-,87-,88-,89-,90-,91-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.04E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Messina Curated by ChEMBL					Assay Description Inhibition of recombinant bovine GRK3 expressed in Sf9 insect cells assessed as decrease in phosphorylation of urea-washed bovine rod outer segments ...				J Med Chem 59: 9277-9294 (2016) BindingDB Entry DOI: 10.7270/Q2348NB9
					More data for this Ligand-Target Pair
Beta-adrenergic receptor kinase 2 (Bos taurus)	BDBM50191310 (CHEMBL3971763) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)N)[C@@H](C)O)C(C)C)[C@@H](C)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(O)=O |r| Show InChI InChI=1S/C94H148N24O27/c1-11-49(6)73(89(140)118-75(52(9)121)91(142)113-68(46-119)87(138)107-62(93(144)145)28-19-21-39-96)115-86(137)66(43-55-25-16-13-17-26-55)111-84(135)65(44-56-30-32-57(123)33-31-56)110-85(136)67(45-70(99)125)112-90(141)74(51(8)120)117-88(139)72(48(4)5)114-92(143)76(53(10)122)116-81(132)60(34-36-69(98)124)105-82(133)63(41-47(2)3)108-79(130)59(29-22-40-102-94(100)101)104-80(131)61(35-37-71(126)127)106-83(134)64(42-54-23-14-12-15-24-54)109-78(129)58(27-18-20-38-95)103-77(128)50(7)97/h12-17,23-26,30-33,47-53,58-68,72-76,119-123H,11,18-22,27-29,34-46,95-97H2,1-10H3,(H2,98,124)(H2,99,125)(H,103,128)(H,104,131)(H,105,133)(H,106,134)(H,107,138)(H,108,130)(H,109,129)(H,110,136)(H,111,135)(H,112,141)(H,113,142)(H,114,143)(H,115,137)(H,116,132)(H,117,139)(H,118,140)(H,126,127)(H,144,145)(H4,100,101,102)/t49-,50-,51+,52+,53+,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,72-,73-,74-,75-,76-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5.55E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Messina Curated by ChEMBL					Assay Description Inhibition of recombinant bovine GRK3 expressed in Sf9 insect cells assessed as decrease in phosphorylation of urea-washed bovine rod outer segments ...				J Med Chem 59: 9277-9294 (2016) BindingDB Entry DOI: 10.7270/Q2348NB9
					More data for this Ligand-Target Pair
Beta-adrenergic receptor kinase 2 (Homo sapiens (Human))	BDBM50537742 (CHEMBL4634634 | US11179389, Compound 1-14) Show SMILES C[C@@H]1C[C@H]1C(=O)N1CCN(C[C@H]1C)c1cnc(C#N)c(n1)-c1cnn(C)c1 |r| Show InChI InChI=1S/C19H23N7O/c1-12-6-15(12)19(27)26-5-4-25(10-13(26)2)17-9-21-16(7-20)18(23-17)14-8-22-24(3)11-14/h8-9,11-13,15H,4-6,10H2,1-3H3/t12-,13-,15-/m1/s1	PDB NCI pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Merck & Co. Curated by ChEMBL					Assay Description Inhibition of recombinant full length human GST-tagged GRK3 expressed in baculovirus expression system using serine/threonine-16 peptide as substrate...				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2019.126715 BindingDB Entry DOI: 10.7270/Q2HM5CZG
					More data for this Ligand-Target Pair