Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Beta-adrenergic receptor kinase 1' and Ligand = 'BDBM50191324'   

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 1 (Bos taurus)	BDBM50191324 (CHEMBL3910956) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](N)[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)=O |r| Show InChI InChI=1S/C101H159N25O30/c1-15-50(7)77(122-83(138)53(10)109-93(148)75(105)54(11)128)95(150)110-52(9)82(137)111-62(30-23-24-40-102)84(139)116-67(43-58-26-19-17-20-27-58)89(144)114-65(37-39-74(135)136)86(141)112-63(31-25-41-108-101(106)107)85(140)115-66(42-48(3)4)88(143)113-64(36-38-72(103)133)87(142)124-81(57(14)131)99(154)121-76(49(5)6)94(149)125-79(55(12)129)97(152)119-70(46-73(104)134)91(146)117-68(45-60-32-34-61(132)35-33-60)90(145)118-69(44-59-28-21-18-22-29-59)92(147)123-78(51(8)16-2)96(151)126-80(56(13)130)98(153)120-71(47-127)100(155)156/h17-22,26-29,32-35,48-57,62-71,75-81,127-132H,15-16,23-25,30-31,36-47,102,105H2,1-14H3,(H2,103,133)(H2,104,134)(H,109,148)(H,110,150)(H,111,137)(H,112,141)(H,113,143)(H,114,144)(H,115,140)(H,116,139)(H,117,146)(H,118,145)(H,119,152)(H,120,153)(H,121,154)(H,122,138)(H,123,147)(H,124,142)(H,125,149)(H,126,151)(H,135,136)(H,155,156)(H4,106,107,108)/t50-,51-,52-,53-,54+,55+,56+,57+,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,75-,76-,77-,78-,79-,80-,81-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	4.00E+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 bovine cerebral cortex GRK2 assessed as decrease in phosphorylation of beta-adrenoceptor in presence of [gamma-32P]-ATP by SDS-PAGE ana...				J Med Chem 59: 9277-9294 (2016) BindingDB Entry DOI: 10.7270/Q2348NB9
					More data for this Ligand-Target Pair