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Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with Target = 'Growth/differentiation factor 8' AND taxid = 9606   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Growth/differentiation factor 8


(Homo sapiens)
BDBM50206029
PNG
(CHEMBL3892004)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)COc1ccc2ccccc2c1)[C@@H](C)O)[C@@H](C)CC)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(N)=O
Show InChI InChI=1S/C131H220N40O33/c1-17-69(11)101(123(199)156-82(34-24-26-52-133)114(190)168-102(70(12)18-2)124(200)158-87(46-49-97(135)177)116(192)170-104(72(14)20-4)126(202)164-91(59-68(9)10)118(194)165-94(63-172)121(197)153-81(33-23-25-51-132)111(187)161-90(58-67(7)8)117(193)152-83(36-28-54-147-129(140)141)110(186)160-89(106(137)182)57-66(5)6)167-107(183)73(15)150-108(184)88(47-50-100(180)181)159-125(201)103(71(13)19-3)169-115(191)85(38-30-56-149-131(144)145)154-122(198)95(64-173)166-119(195)92(60-75-39-42-78(175)43-40-75)162-112(188)84(37-29-55-148-130(142)143)157-127(203)105(74(16)174)171-120(196)93(62-98(136)178)163-113(189)86(45-48-96(134)176)155-109(185)80(35-27-53-146-128(138)139)151-99(179)65-204-79-44-41-76-31-21-22-32-77(76)61-79/h21-22,31-32,39-44,61,66-74,80-95,101-105,172-175H,17-20,23-30,33-38,45-60,62-65,132-133H2,1-16H3,(H2,134,176)(H2,135,177)(H2,136,178)(H2,137,182)(H,150,184)(H,151,179)(H,152,193)(H,153,197)(H,154,198)(H,155,185)(H,156,199)(H,157,203)(H,158,200)(H,159,201)(H,160,186)(H,161,187)(H,162,188)(H,163,189)(H,164,202)(H,165,194)(H,166,195)(H,167,183)(H,168,190)(H,169,191)(H,170,192)(H,171,196)(H,180,181)(H4,138,139,146)(H4,140,141,147)(H4,142,143,148)(H4,144,145,149)/t69-,70-,71-,72-,73-,74+,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,101-,102-,103-,104-,105-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.20E+3n/an/an/an/an/an/a



Tokyo University of Pharmacy and Life Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant myostatin expressed in HEK293 cells after 4 hrs by SBE4 based luciferase reporter gene assay


ACS Med Chem Lett 8: 113-117 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00420
BindingDB Entry DOI: 10.7270/Q2MG7RHH
More data for this
Ligand-Target Pair
Growth/differentiation factor 8


(Homo sapiens)
BDBM50071379
PNG
(CHEMBL3410227)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](C)N)[C@@H](C)O)[C@@H](C)CC)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(N)=O
Show InChI InChI=1S/C133H227N43O33/c1-18-68(11)101(125(205)160-81(35-25-27-51-135)115(195)173-102(69(12)19-2)126(206)162-87(45-48-98(138)182)117(197)175-104(71(14)21-4)128(208)169-91(58-67(9)10)119(199)170-95(63-177)123(203)157-80(34-24-26-50-134)112(192)166-90(57-66(7)8)118(198)155-83(37-29-53-150-131(143)144)111(191)164-89(106(140)186)56-65(5)6)172-108(188)73(16)154-109(189)88(46-49-100(184)185)163-127(207)103(70(13)20-3)174-116(196)85(39-31-55-152-133(147)148)158-124(204)96(64-178)171-120(200)92(59-75-40-42-77(180)43-41-75)167-113(193)84(38-30-54-151-132(145)146)161-129(209)105(74(17)179)176-122(202)94(61-99(139)183)168-114(194)86(44-47-97(137)181)159-110(190)82(36-28-52-149-130(141)142)156-121(201)93(165-107(187)72(15)136)60-76-62-153-79-33-23-22-32-78(76)79/h22-23,32-33,40-43,62,65-74,80-96,101-105,153,177-180H,18-21,24-31,34-39,44-61,63-64,134-136H2,1-17H3,(H2,137,181)(H2,138,182)(H2,139,183)(H2,140,186)(H,154,189)(H,155,198)(H,156,201)(H,157,203)(H,158,204)(H,159,190)(H,160,205)(H,161,209)(H,162,206)(H,163,207)(H,164,191)(H,165,187)(H,166,192)(H,167,193)(H,168,194)(H,169,208)(H,170,199)(H,171,200)(H,172,188)(H,173,195)(H,174,196)(H,175,197)(H,176,202)(H,184,185)(H4,141,142,149)(H4,143,144,150)(H4,145,146,151)(H4,147,148,152)/t68-,69-,70-,71-,72-,73-,74+,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,101-,102-,103-,104-,105-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.10E+3n/an/an/an/an/an/a



Tokyo University of Pharmacy and Life Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant myostatin pre-incubated with compound for 1 hr before addition to human HepG2 cells assessed as reduction in myostati...


J Med Chem 58: 1544-9 (2015)


Article DOI: 10.1021/jm501170d
BindingDB Entry DOI: 10.7270/Q2DJ5HBF
More data for this
Ligand-Target Pair
Growth/differentiation factor 8


(Homo sapiens)
BDBM50071381
PNG
(CHEMBL3410234)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)CCCNC(N)=N)[C@@H](C)O)[C@@H](C)CC)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(N)=O
Show InChI InChI=1S/C119H212N40O31/c1-17-61(11)89(111(186)144-71(31-22-24-46-121)102(177)156-90(62(12)18-2)112(187)146-76(40-43-86(124)165)104(179)158-92(64(14)20-4)114(189)152-80(53-60(9)10)106(181)153-83(56-160)109(184)142-70(30-21-23-45-120)99(174)149-79(52-59(7)8)105(180)141-72(32-26-48-136-117(129)130)98(173)148-78(94(126)169)51-58(5)6)155-95(170)65(15)139-97(172)77(41-44-88(167)168)147-113(188)91(63(13)19-3)157-103(178)74(34-28-50-138-119(133)134)143-110(185)84(57-161)154-107(182)81(54-67-35-37-68(163)38-36-67)150-100(175)73(33-27-49-137-118(131)132)145-115(190)93(66(16)162)159-108(183)82(55-87(125)166)151-101(176)75(39-42-85(123)164)140-96(171)69(122)29-25-47-135-116(127)128/h35-38,58-66,69-84,89-93,160-163H,17-34,39-57,120-122H2,1-16H3,(H2,123,164)(H2,124,165)(H2,125,166)(H2,126,169)(H,139,172)(H,140,171)(H,141,180)(H,142,184)(H,143,185)(H,144,186)(H,145,190)(H,146,187)(H,147,188)(H,148,173)(H,149,174)(H,150,175)(H,151,176)(H,152,189)(H,153,181)(H,154,182)(H,155,170)(H,156,177)(H,157,178)(H,158,179)(H,159,183)(H,167,168)(H4,127,128,135)(H4,129,130,136)(H4,131,132,137)(H4,133,134,138)/t61-,62-,63-,64-,65-,66+,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,89-,90-,91-,92-,93-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 117n/an/an/an/an/a



Tokyo University of Pharmacy and Life Sciences

Curated by ChEMBL


Assay Description
Binding affinity to recombinant myostatin (unknown origin) by surface plasmon resonance assay


J Med Chem 58: 1544-9 (2015)


Article DOI: 10.1021/jm501170d
BindingDB Entry DOI: 10.7270/Q2DJ5HBF
More data for this
Ligand-Target Pair
Growth/differentiation factor 8


(Homo sapiens)
BDBM50071379
PNG
(CHEMBL3410227)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](C)N)[C@@H](C)O)[C@@H](C)CC)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(N)=O
Show InChI InChI=1S/C133H227N43O33/c1-18-68(11)101(125(205)160-81(35-25-27-51-135)115(195)173-102(69(12)19-2)126(206)162-87(45-48-98(138)182)117(197)175-104(71(14)21-4)128(208)169-91(58-67(9)10)119(199)170-95(63-177)123(203)157-80(34-24-26-50-134)112(192)166-90(57-66(7)8)118(198)155-83(37-29-53-150-131(143)144)111(191)164-89(106(140)186)56-65(5)6)172-108(188)73(16)154-109(189)88(46-49-100(184)185)163-127(207)103(70(13)20-3)174-116(196)85(39-31-55-152-133(147)148)158-124(204)96(64-178)171-120(200)92(59-75-40-42-77(180)43-41-75)167-113(193)84(38-30-54-151-132(145)146)161-129(209)105(74(17)179)176-122(202)94(61-99(139)183)168-114(194)86(44-47-97(137)181)159-110(190)82(36-28-52-149-130(141)142)156-121(201)93(165-107(187)72(15)136)60-76-62-153-79-33-23-22-32-78(76)79/h22-23,32-33,40-43,62,65-74,80-96,101-105,153,177-180H,18-21,24-31,34-39,44-61,63-64,134-136H2,1-17H3,(H2,137,181)(H2,138,182)(H2,139,183)(H2,140,186)(H,154,189)(H,155,198)(H,156,201)(H,157,203)(H,158,204)(H,159,190)(H,160,205)(H,161,209)(H,162,206)(H,163,207)(H,164,191)(H,165,187)(H,166,192)(H,167,193)(H,168,194)(H,169,208)(H,170,199)(H,171,200)(H,172,188)(H,173,195)(H,174,196)(H,175,197)(H,176,202)(H,184,185)(H4,141,142,149)(H4,143,144,150)(H4,145,146,151)(H4,147,148,152)/t68-,69-,70-,71-,72-,73-,74+,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,101-,102-,103-,104-,105-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 36n/an/an/an/an/a



Tokyo University of Pharmacy and Life Sciences

Curated by ChEMBL


Assay Description
Binding affinity to recombinant myostatin (unknown origin) by surface plasmon resonance assay


J Med Chem 58: 1544-9 (2015)


Article DOI: 10.1021/jm501170d
BindingDB Entry DOI: 10.7270/Q2DJ5HBF
More data for this
Ligand-Target Pair
Growth/differentiation factor 8


(Homo sapiens)
BDBM50071380
PNG
(CHEMBL3410232)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)[C@@H](C)O)[C@@H](C)CC)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(N)=O
Show InChI InChI=1S/C130H222N42O32/c1-17-67(11)99(122(200)157-80(34-24-26-50-132)113(191)169-100(68(12)18-2)123(201)159-86(44-47-96(135)178)115(193)171-102(70(14)20-4)125(203)165-90(57-66(9)10)117(195)166-93(62-173)120(198)154-79(33-23-25-49-131)110(188)162-89(56-65(7)8)116(194)153-82(36-28-52-147-128(140)141)109(187)161-88(104(137)182)55-64(5)6)168-105(183)71(15)151-107(185)87(45-48-98(180)181)160-124(202)101(69(13)19-3)170-114(192)84(38-30-54-149-130(144)145)155-121(199)94(63-174)167-118(196)91(58-73-39-41-75(176)42-40-73)163-111(189)83(37-29-53-148-129(142)143)158-126(204)103(72(16)175)172-119(197)92(60-97(136)179)164-112(190)85(43-46-95(134)177)156-108(186)81(35-27-51-146-127(138)139)152-106(184)77(133)59-74-61-150-78-32-22-21-31-76(74)78/h21-22,31-32,39-42,61,64-72,77,79-94,99-103,150,173-176H,17-20,23-30,33-38,43-60,62-63,131-133H2,1-16H3,(H2,134,177)(H2,135,178)(H2,136,179)(H2,137,182)(H,151,185)(H,152,184)(H,153,194)(H,154,198)(H,155,199)(H,156,186)(H,157,200)(H,158,204)(H,159,201)(H,160,202)(H,161,187)(H,162,188)(H,163,189)(H,164,190)(H,165,203)(H,166,195)(H,167,196)(H,168,183)(H,169,191)(H,170,192)(H,171,193)(H,172,197)(H,180,181)(H4,138,139,146)(H4,140,141,147)(H4,142,143,148)(H4,144,145,149)/t67-,68-,69-,70-,71-,72+,77-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,99-,100-,101-,102-,103-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 30n/an/an/an/an/a



Tokyo University of Pharmacy and Life Sciences

Curated by ChEMBL


Assay Description
Binding affinity to recombinant myostatin (unknown origin) by surface plasmon resonance assay


J Med Chem 58: 1544-9 (2015)


Article DOI: 10.1021/jm501170d
BindingDB Entry DOI: 10.7270/Q2DJ5HBF
More data for this
Ligand-Target Pair