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Compile Data Set for Download or QSAR

Found 6 hits of ic50 data for polymerid = 50007159   
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 2


(Bos taurus)
BDBM50191311
PNG
(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
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
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UniChem

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PubMed
n/an/a 1.50E+3n/an/an/an/an/an/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 ...


Citation and Details
More data for this
Ligand-Target Pair
Beta-adrenergic receptor kinase 2


(Bos taurus)
BDBM50191313
PNG
(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
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
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PC sid
UniChem

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PubMed
n/an/a 6.10E+3n/an/an/an/an/an/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 ...


Citation and Details
More data for this
Ligand-Target Pair
Beta-adrenergic receptor kinase 2


(Bos taurus)
BDBM50191319
PNG
(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
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
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PC sid
UniChem

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PubMed
n/an/a 1.16E+4n/an/an/an/an/an/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 ...


Citation and Details
More data for this
Ligand-Target Pair
Beta-adrenergic receptor kinase 2


(Bos taurus)
BDBM50191326
PNG
(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
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
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PC sid
UniChem

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PubMed
n/an/a 2.26E+4n/an/an/an/an/an/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 ...


Citation and Details
More data for this
Ligand-Target Pair
Beta-adrenergic receptor kinase 2


(Bos taurus)
BDBM50191312
PNG
(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
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
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PC sid
UniChem

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PubMed
n/an/a 3.04E+4n/an/an/an/an/an/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 ...


Citation and Details
More data for this
Ligand-Target Pair
Beta-adrenergic receptor kinase 2


(Bos taurus)
BDBM50191310
PNG
(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
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
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UniChem

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PubMed
n/an/a 5.55E+4n/an/an/an/an/an/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 ...


Citation and Details
More data for this
Ligand-Target Pair