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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Growth/differentiation factor 8' AND taxid = 9606   
Target
(Institution)
LigandTarget
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)
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=1/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-/s2
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
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...


Citation and Details
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=1/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-/s2
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
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


Citation and Details
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=1/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-/s2
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
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


Citation and Details
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=1/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-/s2
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
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


Citation and Details
More data for this
Ligand-Target Pair