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Compile Data Set for Download or QSAR

Found 6 hits of ic50 data for polymerid = 50007158   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Beta-adrenergic receptor kinase 1


(Bos taurus)
BDBM50191320
PNG
(CHEMBL3945401)
Show SMILES OS(=O)(=O)O[C@H]1[C@H](OS(O)(=O)=O)[C@@H](OS(O)(=O)=O)[C@H](OS(O)(=O)=O)[C@H](OS(O)(=O)=O)[C@@H]1OS(O)(=O)=O
Show InChI InChI=1S/C6H12O24S6/c7-31(8,9)25-1-2(26-32(10,11)12)4(28-34(16,17)18)6(30-36(22,23)24)5(29-35(19,20)21)3(1)27-33(13,14)15/h1-6H,(H,7,8,9)(H,10,11,12)(H,13,14,15)(H,16,17,18)(H,19,20,21)(H,22,23,24)/t1-,2-,3-,4+,5-,6-
GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem

Similars

PubMed
n/an/a 1.35E+4n/an/an/an/an/an/a



Universit£ degli Studi di Messina

Curated by ChEMBL


Assay Description
Inhibition of bovine cerebral cortex GRK2 assessed as decrease in rhodopsin phosphorylation by SDS-PAGE analysis


Citation and Details
More data for this
Ligand-Target Pair
Beta-adrenergic receptor kinase 1


(Bos taurus)
BDBM50191324
PNG
(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
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
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
n/an/a 4.00E+4n/an/an/an/an/an/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...


Citation and Details
More data for this
Ligand-Target Pair
Beta-adrenergic receptor kinase 1


(Bos taurus)
BDBM50191322
PNG
(CHEMBL3928291)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](C)N)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)=O
Show InChI InChI=1S/C84H129N21O23/c1-11-44(6)66(103-69(113)45(7)86)80(124)92-46(8)70(114)93-53(25-18-19-35-85)71(115)98-58(38-49-21-14-12-15-22-49)76(120)96-56(32-34-64(111)112)73(117)94-54(26-20-36-91-84(89)90)72(116)97-57(37-42(2)3)75(119)95-55(31-33-62(87)109)74(118)104-68(48(10)107)82(126)102-65(43(4)5)79(123)105-67(47(9)106)81(125)100-60(41-63(88)110)78(122)99-59(39-51-27-29-52(108)30-28-51)77(121)101-61(83(127)128)40-50-23-16-13-17-24-50/h12-17,21-24,27-30,42-48,53-61,65-68,106-108H,11,18-20,25-26,31-41,85-86H2,1-10H3,(H2,87,109)(H2,88,110)(H,92,124)(H,93,114)(H,94,117)(H,95,119)(H,96,120)(H,97,116)(H,98,115)(H,99,122)(H,100,125)(H,101,121)(H,102,126)(H,103,113)(H,104,118)(H,105,123)(H,111,112)(H,127,128)(H4,89,90,91)/t44-,45-,46-,47+,48+,53-,54-,55-,56-,57-,58-,59-,60-,61-,65-,66-,67-,68-/m0/s1
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 6.20E+4n/an/an/an/an/an/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...


Citation and Details
More data for this
Ligand-Target Pair
Beta-adrenergic receptor kinase 1


(Bos taurus)
BDBM50191315
PNG
(CHEMBL3900347)
Show SMILES CC(C)C[C@H](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(=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
Show InChI InChI=1S/C57H95N17O18/c1-27(2)24-37(51(86)67-35(18-20-40(60)77)50(85)73-45(31(7)76)55(90)72-43(28(3)4)53(88)74-44(30(6)75)54(89)71-39(56(91)92)26-41(61)78)69-48(83)34(17-13-23-64-57(62)63)66-49(84)36(19-21-42(79)80)68-52(87)38(25-32-14-9-8-10-15-32)70-47(82)33(16-11-12-22-58)65-46(81)29(5)59/h8-10,14-15,27-31,33-39,43-45,75-76H,11-13,16-26,58-59H2,1-7H3,(H2,60,77)(H2,61,78)(H,65,81)(H,66,84)(H,67,86)(H,68,87)(H,69,83)(H,70,82)(H,71,89)(H,72,90)(H,73,85)(H,74,88)(H,79,80)(H,91,92)(H4,62,63,64)/t29-,30+,31+,33-,34-,35-,36-,37-,38-,39-,43-,44-,45-/m0/s1
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 1.60E+6n/an/an/an/an/an/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...


Citation and Details
More data for this
Ligand-Target Pair
Beta-adrenergic receptor kinase 1


(Bos taurus)
BDBM50191309
PNG
(CHEMBL3919384)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H]([C@@H](C)O)C(O)=O
Show InChI InChI=1S/C41H68N12O12/c1-22(2)20-29(38(62)49-27(14-16-31(44)55)37(61)53-33(23(3)54)40(64)65)52-35(59)26(13-9-19-47-41(45)46)48-36(60)28(15-17-32(56)57)50-39(63)30(21-24-10-5-4-6-11-24)51-34(58)25(43)12-7-8-18-42/h4-6,10-11,22-23,25-30,33,54H,7-9,12-21,42-43H2,1-3H3,(H2,44,55)(H,48,60)(H,49,62)(H,50,63)(H,51,58)(H,52,59)(H,53,61)(H,56,57)(H,64,65)(H4,45,46,47)/t23-,25+,26+,27+,28+,29+,30+,33+/m1/s1
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 2.60E+6n/an/an/an/an/an/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...


Citation and Details
More data for this
Ligand-Target Pair
Beta-adrenergic receptor kinase 1


(Bos taurus)
BDBM50191323
PNG
(CHEMBL3959608)
Show SMILES O[C@H]1[C@H](O)[C@@H](O)[C@H](OP(O)(O)=O)[C@H](O)[C@@H]1O
Show InChI InChI=1S/C6H13O9P/c7-1-2(8)4(10)6(5(11)3(1)9)15-16(12,13)14/h1-11H,(H2,12,13,14)/t1-,2-,3+,4-,5-,6-/m1/s1
GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 3.60E+6n/an/an/an/an/an/a



Universit£ degli Studi di Messina

Curated by ChEMBL


Assay Description
Inhibition of bovine cerebral cortex GRK2 assessed as decrease in rhodopsin phosphorylation by SDS-PAGE analysis


Citation and Details
More data for this
Ligand-Target Pair