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Compile Data Set for Download or QSAR

Found 42 hits Enz. Inhib. hit(s) with Target = 'Serpin H1' AND taxid = 10090   
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
Serpin H1


(Mus musculus)
BDBM50320837
PNG
((2S,4R)-N-(2-amino-2-oxoethyl)-1-((S)-1-(2-((2S,4R...)
Show SMILES C[C@@H](O)[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(N)=O
Show InChI InChI=1S/C108H161N31O35/c1-55(140)89(124-99(166)66-15-5-25-126(66)81(149)41-116-93(160)75-34-58(143)50-135(75)104(171)70-19-9-29-130(70)86(154)45-120-96(163)77-36-60(145)52-137(77)105(172)69-18-8-28-129(69)84(152)42-117-92(159)73-32-56(141)48-133(73)101(168)64-13-3-22-112-64)100(167)122-47-82(150)125-24-4-14-65(125)98(165)123-63(12-2-23-113-108(110)111)90(157)115-40-83(151)127-26-6-16-67(127)103(170)136-51-59(144)35-76(136)94(161)119-44-87(155)131-30-10-20-71(131)107(174)139-54-62(147)38-79(139)97(164)121-46-88(156)132-31-11-21-72(132)106(173)138-53-61(146)37-78(138)95(162)118-43-85(153)128-27-7-17-68(128)102(169)134-49-57(142)33-74(134)91(158)114-39-80(109)148/h55-79,89,112,140-147H,2-54H2,1H3,(H2,109,148)(H,114,158)(H,115,157)(H,116,160)(H,117,159)(H,118,162)(H,119,161)(H,120,163)(H,121,164)(H,122,167)(H,123,165)(H,124,166)(H4,110,111,113)/t55-,56-,57-,58-,59-,60-,61-,62-,63+,64+,65+,66+,67+,68+,69+,70+,71+,72+,73+,74+,75+,76+,77+,78+,79+,89+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 580n/an/an/an/an/an/a



Waseda University

Curated by ChEMBL


Assay Description
Binding affinity to mouse recombinant HSP47 expressed in Escherichia coli JM109 after 10 mins by surface plasmon resonance assay


Citation and Details
More data for this
Ligand-Target Pair
Serpin H1


(Mus musculus)
BDBM50320838
PNG
((2S,4R)-N-(2-amino-2-oxoethyl)-1-((S)-1-(2-((2S,4R...)
Show SMILES NC(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](F)CN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1
Show InChI InChI=1S/C109H160FN31O34/c110-56-31-74(134(48-56)102(169)67-14-4-24-127(67)85(152)43-120-95(162)78-35-60(145)52-138(78)106(173)71-18-8-28-131(71)89(156)46-123-98(165)79-36-61(146)53-139(79)105(172)70-17-7-27-130(70)86(153)42-119-94(161)75-32-57(142)49-135(75)101(168)65-12-2-21-114-65)92(159)118-41-83(150)126-23-3-13-66(126)100(167)125-64(11-1-22-115-109(112)113)91(158)117-40-84(151)128-25-5-15-68(128)104(171)137-51-59(144)34-77(137)96(163)122-45-88(155)132-29-9-19-72(132)108(175)141-55-63(148)38-81(141)99(166)124-47-90(157)133-30-10-20-73(133)107(174)140-54-62(147)37-80(140)97(164)121-44-87(154)129-26-6-16-69(129)103(170)136-50-58(143)33-76(136)93(160)116-39-82(111)149/h56-81,114,142-148H,1-55H2,(H2,111,149)(H,116,160)(H,117,158)(H,118,159)(H,119,161)(H,120,162)(H,121,164)(H,122,163)(H,123,165)(H,124,166)(H,125,167)(H4,112,113,115)/t56-,57-,58-,59-,60-,61-,62-,63-,64+,65+,66+,67+,68+,69+,70+,71+,72+,73+,74+,75+,76+,77+,78+,79+,80+,81+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
AffyNet 
Article
PubMed
n/an/a 640n/an/an/an/an/an/a



Waseda University

Curated by ChEMBL


Assay Description
Binding affinity to mouse recombinant HSP47 expressed in Escherichia coli JM109 after 10 mins by surface plasmon resonance assay


Citation and Details
More data for this
Ligand-Target Pair
Serpin H1


(Mus musculus)
BDBM50320839
PNG
(CHEMBL2372617 | N-[2-(2-{[4-carbamimidamido-1-({2-...)
Show SMILES NC(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1CCCCN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1
Show InChI InChI=1S/C110H163N31O34/c111-83(149)42-116-94(160)77-36-59(143)52-136(77)104(170)71-19-8-30-129(71)88(154)47-121-98(164)81-40-63(147)56-140(81)108(174)75-23-12-34-133(75)91(157)50-124-100(166)82-41-64(148)57-141(82)109(175)74-22-11-33-132(74)89(155)48-122-97(163)79-38-60(144)53-137(79)105(171)70-18-7-29-128(70)85(151)43-117-92(158)65(13-3-25-115-110(112)113)125-101(167)68-16-5-27-126(68)84(150)44-118-93(159)67-15-1-2-26-134(67)103(169)69-17-6-28-127(69)86(152)45-120-96(162)78-37-61(145)54-138(78)107(173)73-21-10-32-131(73)90(156)49-123-99(165)80-39-62(146)55-139(80)106(172)72-20-9-31-130(72)87(153)46-119-95(161)76-35-58(142)51-135(76)102(168)66-14-4-24-114-66/h58-82,114,142-148H,1-57H2,(H2,111,149)(H,116,160)(H,117,158)(H,118,159)(H,119,161)(H,120,162)(H,121,164)(H,122,163)(H,123,165)(H,124,166)(H,125,167)(H4,112,113,115)/t58-,59-,60-,61-,62-,63-,64-,65+,66+,67?,68+,69+,70+,71+,72+,73+,74+,75+,76+,77+,78+,79+,80+,81+,82+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 690n/an/an/an/an/an/a



Waseda University

Curated by ChEMBL


Assay Description
Binding affinity to mouse recombinant HSP47 expressed in Escherichia coli JM109 after 10 mins by surface plasmon resonance assay


Citation and Details
More data for this
Ligand-Target Pair
Serpin H1


(Mus musculus)
BDBM50320841
PNG
((2S,4R)-N-(2-amino-2-oxoethyl)-1-((S)-1-(2-((2S,4R...)
Show SMILES NC(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1
Show InChI InChI=1S/C109H161N31O34/c110-82(148)41-115-93(159)76-35-58(142)51-135(76)103(169)70-18-7-28-128(70)87(153)46-120-97(163)80-39-62(146)55-139(80)107(173)74-22-11-32-132(74)90(156)49-123-99(165)81-40-63(147)56-140(81)108(174)73-21-10-31-131(73)88(154)47-121-96(162)78-37-59(143)52-136(78)104(170)69-17-6-27-127(69)84(150)42-116-91(157)64(12-1-24-114-109(111)112)124-100(166)67-15-3-25-125(67)83(149)43-117-92(158)66-14-4-33-133(66)102(168)68-16-5-26-126(68)85(151)44-119-95(161)77-36-60(144)53-137(77)106(172)72-20-9-30-130(72)89(155)48-122-98(164)79-38-61(145)54-138(79)105(171)71-19-8-29-129(71)86(152)45-118-94(160)75-34-57(141)50-134(75)101(167)65-13-2-23-113-65/h57-81,113,141-147H,1-56H2,(H2,110,148)(H,115,159)(H,116,157)(H,117,158)(H,118,160)(H,119,161)(H,120,163)(H,121,162)(H,122,164)(H,123,165)(H,124,166)(H4,111,112,114)/t57-,58-,59-,60-,61-,62-,63-,64+,65+,66+,67+,68+,69+,70+,71+,72+,73+,74+,75+,76+,77+,78+,79+,80+,81+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 940n/an/an/an/an/an/a



Waseda University

Curated by ChEMBL


Assay Description
Binding affinity to mouse recombinant HSP47 expressed in Escherichia coli JM109 after 10 mins by surface plasmon resonance assay


Citation and Details
More data for this
Ligand-Target Pair
Serpin H1


(Mus musculus)
BDBM50320840
PNG
((2S,4R)-N-(2-amino-2-oxoethyl)-1-((S)-1-(2-((2S,4R...)
Show SMILES C[C@H](N(C)C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(N)=O
Show InChI InChI=1S/C108H161N31O34/c1-56(124(2)101(167)67-16-6-26-126(67)84(150)43-118-94(160)76-35-59(142)52-136(76)105(171)71-20-10-30-130(71)88(154)47-121-97(163)78-37-61(144)53-137(78)104(170)70-19-9-29-129(70)85(151)44-117-93(159)74-33-57(140)49-133(74)100(166)65-14-4-23-112-65)90(156)115-41-82(148)125-25-5-15-66(125)99(165)123-64(13-3-24-113-108(110)111)91(157)116-42-83(149)127-27-7-17-68(127)103(169)135-51-60(143)36-77(135)95(161)120-46-87(153)131-31-11-21-72(131)107(173)139-55-63(146)39-80(139)98(164)122-48-89(155)132-32-12-22-73(132)106(172)138-54-62(145)38-79(138)96(162)119-45-86(152)128-28-8-18-69(128)102(168)134-50-58(141)34-75(134)92(158)114-40-81(109)147/h56-80,112,140-146H,3-55H2,1-2H3,(H2,109,147)(H,114,158)(H,115,156)(H,116,157)(H,117,159)(H,118,160)(H,119,162)(H,120,161)(H,121,163)(H,122,164)(H,123,165)(H4,110,111,113)/t56-,57+,58+,59+,60+,61+,62+,63+,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 940n/an/an/an/an/an/a



Waseda University

Curated by ChEMBL


Assay Description
Binding affinity to mouse recombinant HSP47 expressed in Escherichia coli JM109 after 10 mins by surface plasmon resonance assay


Citation and Details
More data for this
Ligand-Target Pair
Serpin H1


(Mus musculus)
BDBM50320842
PNG
((2S,4R)-N-(2-amino-2-oxoethyl)-1-((S)-1-(2-((2S,4R...)
Show SMILES CN([C@@H](CO)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(N)=O)C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1
Show InChI InChI=1S/C108H161N31O35/c1-124(101(168)66-15-5-25-126(66)84(151)42-117-93(160)75-34-58(143)51-136(75)105(172)70-19-9-29-130(70)88(155)46-120-96(163)77-36-60(145)52-137(77)104(171)69-18-8-28-129(69)85(152)43-116-92(159)73-32-56(141)48-133(73)100(167)64-13-3-22-112-64)80(55-140)98(165)122-41-82(149)125-24-4-14-65(125)99(166)123-63(12-2-23-113-108(110)111)90(157)115-40-83(150)127-26-6-16-67(127)103(170)135-50-59(144)35-76(135)94(161)119-45-87(154)131-30-10-20-71(131)107(174)139-54-62(147)38-79(139)97(164)121-47-89(156)132-31-11-21-72(132)106(173)138-53-61(146)37-78(138)95(162)118-44-86(153)128-27-7-17-68(128)102(169)134-49-57(142)33-74(134)91(158)114-39-81(109)148/h56-80,112,140-147H,2-55H2,1H3,(H2,109,148)(H,114,158)(H,115,157)(H,116,159)(H,117,160)(H,118,162)(H,119,161)(H,120,163)(H,121,164)(H,122,165)(H,123,166)(H4,110,111,113)/t56-,57-,58-,59-,60-,61-,62-,63+,64+,65+,66+,67+,68+,69+,70+,71+,72+,73+,74+,75+,76+,77+,78+,79+,80+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 1.10E+3n/an/an/an/an/an/a



Waseda University

Curated by ChEMBL


Assay Description
Binding affinity to mouse recombinant HSP47 expressed in Escherichia coli JM109 after 10 mins by surface plasmon resonance assay


Citation and Details
More data for this
Ligand-Target Pair
Serpin H1


(Mus musculus)
BDBM50320843
PNG
((S)-N-(2-((S)-2-((S)-1-(2-((S)-2-((2S,4R)-2-(2-((S...)
Show SMILES NC(=O)CNC(=O)[C@H]1C[C@H](O)CN1C(=O)[C@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H]1CSCN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1
Show InChI InChI=1S/C108H159N31O34S/c109-81(147)38-114-91(157)74-32-57(141)48-133(74)101(167)67-15-5-25-126(67)85(151)42-117-94(160)77-35-60(144)51-136(77)104(170)70-18-8-28-129(70)87(153)44-120-96(162)78-36-61(145)52-137(78)105(171)69-17-7-27-128(69)86(152)43-118-93(159)75-33-58(142)49-134(75)102(168)66-14-4-24-125(66)83(149)39-115-90(156)63(11-1-22-113-108(110)111)123-99(165)65-13-3-23-124(65)82(148)40-122-98(164)80-54-174-55-139(80)107(173)72-20-10-30-131(72)89(155)46-121-97(163)79-37-62(146)53-138(79)106(172)71-19-9-29-130(71)88(154)45-119-95(161)76-34-59(143)50-135(76)103(169)68-16-6-26-127(68)84(150)41-116-92(158)73-31-56(140)47-132(73)100(166)64-12-2-21-112-64/h56-80,112,140-146H,1-55H2,(H2,109,147)(H,114,157)(H,115,156)(H,116,158)(H,117,160)(H,118,159)(H,119,161)(H,120,162)(H,121,163)(H,122,164)(H,123,165)(H4,110,111,113)/t56-,57+,58-,59-,60-,61-,62-,63+,64+,65+,66+,67-,68+,69+,70+,71+,72+,73+,74-,75+,76+,77+,78+,79+,80-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
AffyNet 
Article
PubMed
n/an/a 1.40E+3n/an/an/an/an/an/a



Waseda University

Curated by ChEMBL


Assay Description
Binding affinity to mouse recombinant HSP47 expressed in Escherichia coli JM109 after 10 mins by surface plasmon resonance assay


Citation and Details
More data for this
Ligand-Target Pair
Serpin H1


(Mus musculus)
BDBM50320844
PNG
((2S,4R)-N-(2-amino-2-oxoethyl)-1-((S)-1-(2-((2S,4R...)
Show SMILES CC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(N)=O
Show InChI InChI=1S/C108H161N31O34/c1-2-63(123-99(165)66-15-5-25-125(66)83(149)43-117-94(160)76-35-58(142)51-135(76)104(170)71-20-10-30-130(71)87(153)47-121-97(163)78-37-60(144)53-137(78)105(171)70-19-9-29-129(70)85(151)44-118-93(159)74-33-56(140)49-133(74)101(167)65-14-4-23-112-65)90(156)115-41-82(148)126-26-6-16-67(126)100(166)124-64(13-3-24-113-108(110)111)91(157)116-42-84(150)127-27-7-17-68(127)103(169)136-52-59(143)36-77(136)95(161)120-46-88(154)131-31-11-21-72(131)107(173)139-55-62(146)39-80(139)98(164)122-48-89(155)132-32-12-22-73(132)106(172)138-54-61(145)38-79(138)96(162)119-45-86(152)128-28-8-18-69(128)102(168)134-50-57(141)34-75(134)92(158)114-40-81(109)147/h56-80,112,140-146H,2-55H2,1H3,(H2,109,147)(H,114,158)(H,115,156)(H,116,157)(H,117,160)(H,118,159)(H,119,162)(H,120,161)(H,121,163)(H,122,164)(H,123,165)(H,124,166)(H4,110,111,113)/t56-,57-,58-,59-,60-,61-,62-,63+,64+,65+,66+,67+,68+,69+,70+,71+,72+,73+,74+,75+,76+,77+,78+,79+,80+/m1/s1
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PubMed
n/an/a 2.40E+3n/an/an/an/an/an/a



Waseda University

Curated by ChEMBL


Assay Description
Binding affinity to mouse recombinant HSP47 expressed in Escherichia coli JM109 after 10 mins by surface plasmon resonance assay


Citation and Details
More data for this
Ligand-Target Pair
Serpin H1


(Mus musculus)
BDBM50320871
PNG
((2S,4R)-N-(2-amino-2-oxoethyl)-1-((S)-1-(2-((2S,4R...)
Show SMILES CCC[C@H](N(C)C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(N)=O
Show InChI InChI=1S/C110H165N31O34/c1-3-14-67(126(2)103(169)69-18-7-28-128(69)86(152)45-120-96(162)78-37-60(144)54-138(78)107(173)73-22-11-32-132(73)90(156)49-123-99(165)80-39-62(146)55-139(80)106(172)72-21-10-31-131(72)87(153)46-119-95(161)76-35-58(142)51-135(76)102(168)66-16-5-25-114-66)93(159)118-44-84(150)127-27-6-17-68(127)101(167)125-65(15-4-26-115-110(112)113)92(158)117-43-85(151)129-29-8-19-70(129)105(171)137-53-61(145)38-79(137)97(163)122-48-89(155)133-33-12-23-74(133)109(175)141-57-64(148)41-82(141)100(166)124-50-91(157)134-34-13-24-75(134)108(174)140-56-63(147)40-81(140)98(164)121-47-88(154)130-30-9-20-71(130)104(170)136-52-59(143)36-77(136)94(160)116-42-83(111)149/h58-82,114,142-148H,3-57H2,1-2H3,(H2,111,149)(H,116,160)(H,117,158)(H,118,159)(H,119,161)(H,120,162)(H,121,164)(H,122,163)(H,123,165)(H,124,166)(H,125,167)(H4,112,113,115)/t58-,59-,60-,61-,62-,63-,64-,65+,66+,67+,68+,69+,70+,71+,72+,73+,74+,75+,76+,77+,78+,79+,80+,81+,82+/m1/s1
PDB

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PubMed
n/an/a 2.50E+3n/an/an/an/an/an/a



Waseda University

Curated by ChEMBL


Assay Description
Binding affinity to mouse recombinant HSP47 expressed in Escherichia coli JM109 after 10 mins by surface plasmon resonance assay


Citation and Details
More data for this
Ligand-Target Pair
Serpin H1


(Mus musculus)
BDBM50320845
PNG
((2S,4R)-N-(2-amino-2-oxoethyl)-1-((S)-1-(2-((2S,4R...)
Show SMILES NC(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1
Show InChI InChI=1S/C107H159N31O35/c108-80(147)38-113-91(158)74-32-56(141)48-133(74)101(168)68-16-6-26-127(68)85(152)43-118-95(162)78-36-60(145)52-137(78)105(172)72-20-10-30-131(72)88(155)46-121-97(164)79-37-61(146)53-138(79)106(173)71-19-9-29-130(71)87(154)44-119-94(161)76-34-58(143)50-135(76)102(169)67-15-5-25-126(67)83(150)40-114-89(156)62(11-1-22-112-107(109)110)122-98(165)65-13-3-23-124(65)81(148)39-115-90(157)64(54-139)123-99(166)66-14-4-24-125(66)82(149)41-116-93(160)75-33-57(142)49-134(75)103(170)70-18-8-28-129(70)86(153)45-120-96(163)77-35-59(144)51-136(77)104(171)69-17-7-27-128(69)84(151)42-117-92(159)73-31-55(140)47-132(73)100(167)63-12-2-21-111-63/h55-79,111,139-146H,1-54H2,(H2,108,147)(H,113,158)(H,114,156)(H,115,157)(H,116,160)(H,117,159)(H,118,162)(H,119,161)(H,120,163)(H,121,164)(H,122,165)(H,123,166)(H4,109,110,112)/t55-,56-,57-,58-,59-,60-,61-,62+,63+,64+,65+,66+,67+,68+,69+,70+,71+,72+,73+,74+,75+,76+,77+,78+,79+/m1/s1
PDB

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PubMed
n/an/a 4.00E+3n/an/an/an/an/an/a



Waseda University

Curated by ChEMBL


Assay Description
Binding affinity to mouse recombinant HSP47 expressed in Escherichia coli JM109 after 10 mins by surface plasmon resonance assay


Citation and Details
More data for this
Ligand-Target Pair
Serpin H1


(Mus musculus)
BDBM50320872
PNG
((2S,4R)-N-(2-amino-2-oxoethyl)-1-((S)-1-(2-((2S,4R...)
Show SMILES N[C@@H](CS)C(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(N)=O
Show InChI InChI=1S/C100H149N29O32S/c101-58(50-162)92(154)122-27-9-18-67(122)99(161)129-49-57(136)34-74(129)90(152)113-42-82(144)121-26-8-17-66(121)98(160)128-48-56(135)33-73(128)89(151)111-40-79(141)118-23-5-14-63(118)95(157)124-44-52(131)29-69(124)85(147)108-37-76(138)115-20-2-11-60(115)91(153)114-59(10-1-19-105-100(103)104)83(145)107-36-77(139)116-21-3-12-61(116)94(156)125-45-53(132)30-70(125)86(148)110-39-80(142)119-24-6-15-64(119)97(159)127-47-55(134)32-72(127)88(150)112-41-81(143)120-25-7-16-65(120)96(158)126-46-54(133)31-71(126)87(149)109-38-78(140)117-22-4-13-62(117)93(155)123-43-51(130)28-68(123)84(146)106-35-75(102)137/h51-74,130-136,162H,1-50,101H2,(H2,102,137)(H,106,146)(H,107,145)(H,108,147)(H,109,149)(H,110,148)(H,111,151)(H,112,150)(H,113,152)(H,114,153)(H4,103,104,105)/t51-,52-,53-,54-,55-,56-,57-,58+,59+,60+,61+,62+,63+,64+,65+,66+,67+,68+,69+,70+,71+,72+,73+,74+/m1/s1
PDB

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



Waseda University

Curated by ChEMBL


Assay Description
Binding affinity to mouse recombinant HSP47 expressed in Escherichia coli JM109 after 10 mins by surface plasmon resonance assay


Citation and Details
More data for this
Ligand-Target Pair
Serpin H1


(Mus musculus)
BDBM50320846
PNG
((2S,4R)-N-(2-amino-2-oxoethyl)-1-((S)-1-(2-((2S,4R...)
Show SMILES NC(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CS)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1
Show InChI InChI=1S/C107H159N31O34S/c108-80(146)38-113-91(157)74-32-56(140)48-133(74)101(167)68-16-6-26-127(68)85(151)43-118-95(161)78-36-60(144)52-137(78)105(171)72-20-10-30-131(72)88(154)46-121-97(163)79-37-61(145)53-138(79)106(172)71-19-9-29-130(71)87(153)44-119-94(160)76-34-58(142)50-135(76)102(168)67-15-5-25-126(67)83(149)40-114-89(155)62(11-1-22-112-107(109)110)122-98(164)65-13-3-23-124(65)81(147)39-115-90(156)64(54-173)123-99(165)66-14-4-24-125(66)82(148)41-116-93(159)75-33-57(141)49-134(75)103(169)70-18-8-28-129(70)86(152)45-120-96(162)77-35-59(143)51-136(77)104(170)69-17-7-27-128(69)84(150)42-117-92(158)73-31-55(139)47-132(73)100(166)63-12-2-21-111-63/h55-79,111,139-145,173H,1-54H2,(H2,108,146)(H,113,157)(H,114,155)(H,115,156)(H,116,159)(H,117,158)(H,118,161)(H,119,160)(H,120,162)(H,121,163)(H,122,164)(H,123,165)(H4,109,110,112)/t55-,56-,57-,58-,59-,60-,61-,62+,63+,64+,65+,66+,67+,68+,69+,70+,71+,72+,73+,74+,75+,76+,77+,78+,79+/m1/s1
PDB

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Article
PubMed
n/an/a 4.20E+3n/an/an/an/an/an/a



Waseda University

Curated by ChEMBL


Assay Description
Binding affinity to mouse recombinant HSP47 expressed in Escherichia coli JM109 after 10 mins by surface plasmon resonance assay


Citation and Details
More data for this
Ligand-Target Pair
Serpin H1


(Mus musculus)
BDBM50320847
PNG
((2S,4R)-N-(2-amino-2-oxoethyl)-1-((S)-1-(2-((2S,4R...)
Show SMILES NC(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1CCN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1
Show InChI InChI=1S/C108H159N31O34/c109-81(147)40-114-92(158)75-34-57(141)50-134(75)102(168)69-16-6-27-127(69)86(152)45-119-96(162)79-38-61(145)54-138(79)106(172)73-20-10-31-131(73)89(155)48-122-98(164)80-39-62(146)55-139(80)107(173)72-19-9-30-130(72)87(153)46-120-95(161)77-36-58(142)51-135(77)103(169)68-15-5-26-126(68)83(149)41-115-90(156)63(11-1-23-113-108(110)111)123-99(165)65-13-3-24-124(65)82(148)42-116-91(157)66-21-32-132(66)101(167)67-14-4-25-125(67)84(150)43-118-94(160)76-35-59(143)52-136(76)105(171)71-18-8-29-129(71)88(154)47-121-97(163)78-37-60(144)53-137(78)104(170)70-17-7-28-128(70)85(151)44-117-93(159)74-33-56(140)49-133(74)100(166)64-12-2-22-112-64/h56-80,112,140-146H,1-55H2,(H2,109,147)(H,114,158)(H,115,156)(H,116,157)(H,117,159)(H,118,160)(H,119,162)(H,120,161)(H,121,163)(H,122,164)(H,123,165)(H4,110,111,113)/t56-,57-,58-,59-,60-,61-,62-,63+,64+,65+,66+,67+,68+,69+,70+,71+,72+,73+,74+,75+,76+,77+,78+,79+,80+/m1/s1
PDB

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PubMed
n/an/a 4.20E+3n/an/an/an/an/an/a



Waseda University

Curated by ChEMBL


Assay Description
Binding affinity to mouse recombinant HSP47 expressed in Escherichia coli JM109 after 10 mins by surface plasmon resonance assay


Citation and Details
More data for this
Ligand-Target Pair
Serpin H1


(Mus musculus)
BDBM50320848
PNG
((2S,4R)-N-(2-amino-2-oxoethyl)-1-((S)-1-(2-((2S,4R...)
Show SMILES NC(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1[C@@H](O)CCN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1
Show InChI InChI=1S/C109H161N31O35/c110-81(149)40-115-92(159)74-34-57(142)50-135(74)103(170)68-16-6-27-128(68)86(154)44-119-96(163)78-38-61(146)54-139(78)107(174)72-20-10-31-132(72)89(157)47-122-98(165)79-39-62(147)55-140(79)108(175)71-19-9-30-131(71)87(155)45-120-95(162)76-36-58(143)51-136(76)104(171)67-15-5-26-127(67)83(151)41-116-91(158)63(11-1-23-114-109(111)112)124-99(166)65-13-3-24-125(65)82(150)48-123-100(167)90-80(148)21-32-133(90)102(169)66-14-4-25-126(66)84(152)42-118-94(161)75-35-59(144)52-137(75)106(173)70-18-8-29-130(70)88(156)46-121-97(164)77-37-60(145)53-138(77)105(172)69-17-7-28-129(69)85(153)43-117-93(160)73-33-56(141)49-134(73)101(168)64-12-2-22-113-64/h56-80,90,113,141-148H,1-55H2,(H2,110,149)(H,115,159)(H,116,158)(H,117,160)(H,118,161)(H,119,163)(H,120,162)(H,121,164)(H,122,165)(H,123,167)(H,124,166)(H4,111,112,114)/t56-,57-,58-,59-,60-,61-,62-,63+,64+,65+,66+,67+,68+,69+,70+,71+,72+,73+,74+,75+,76+,77+,78+,79+,80+,90+/m1/s1
PDB

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PubMed
n/an/a 4.50E+3n/an/an/an/an/an/a



Waseda University

Curated by ChEMBL


Assay Description
Binding affinity to mouse recombinant HSP47 expressed in Escherichia coli JM109 after 10 mins by surface plasmon resonance assay


Citation and Details
More data for this
Ligand-Target Pair
Serpin H1


(Mus musculus)
BDBM50320849
PNG
((2S,4R)-N-(2-amino-2-oxoethyl)-1-((S)-1-(2-((2S,4R...)
Show SMILES NC(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1
Show InChI InChI=1S/C109H161N31O35/c110-82(149)39-115-92(159)75-32-57(142)49-134(75)102(169)68-15-5-25-127(68)86(153)43-119-96(163)79-36-61(146)53-138(79)106(173)72-19-9-29-131(72)90(157)47-123-99(166)81-38-63(148)55-140(81)107(174)71-18-8-28-130(71)88(155)44-120-95(162)77-34-59(144)51-136(77)103(170)67-14-4-24-126(67)84(151)40-116-91(158)64(11-1-22-114-109(111)112)124-100(167)66-13-3-23-125(66)83(150)41-117-94(161)76-33-58(143)50-135(76)104(171)70-17-7-27-129(70)87(154)45-121-98(165)80-37-62(147)54-139(80)108(175)73-20-10-30-132(73)89(156)46-122-97(164)78-35-60(145)52-137(78)105(172)69-16-6-26-128(69)85(152)42-118-93(160)74-31-56(141)48-133(74)101(168)65-12-2-21-113-65/h56-81,113,141-148H,1-55H2,(H2,110,149)(H,115,159)(H,116,158)(H,117,161)(H,118,160)(H,119,163)(H,120,162)(H,121,165)(H,122,164)(H,123,166)(H,124,167)(H4,111,112,114)/t56-,57-,58-,59-,60-,61-,62-,63-,64+,65+,66+,67+,68+,69+,70+,71+,72+,73+,74+,75+,76+,77+,78+,79+,80+,81+/m1/s1
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PubMed
n/an/a 4.60E+3n/an/an/an/an/an/a



Waseda University

Curated by ChEMBL


Assay Description
Binding affinity to mouse recombinant HSP47 expressed in Escherichia coli JM109 after 10 mins by surface plasmon resonance assay


Citation and Details
More data for this
Ligand-Target Pair
Serpin H1


(Mus musculus)
BDBM50320850
PNG
((2S,4R)-N-(2-amino-2-oxoethyl)-1-((S)-1-(2-((2S,4R...)
Show SMILES CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(N)=O
Show InChI InChI=1S/C109H163N31O34/c1-56(2)90(125-100(166)67-16-6-26-127(67)82(149)42-117-94(160)76-35-59(143)51-136(76)105(171)71-20-10-30-131(71)87(154)46-121-97(163)78-37-61(145)53-138(78)106(172)70-19-9-29-130(70)85(152)43-118-93(159)74-33-57(141)49-134(74)102(168)65-14-4-23-113-65)101(167)123-48-83(150)126-25-5-15-66(126)99(165)124-64(13-3-24-114-109(111)112)91(157)116-41-84(151)128-27-7-17-68(128)104(170)137-52-60(144)36-77(137)95(161)120-45-88(155)132-31-11-21-72(132)108(174)140-55-63(147)39-80(140)98(164)122-47-89(156)133-32-12-22-73(133)107(173)139-54-62(146)38-79(139)96(162)119-44-86(153)129-28-8-18-69(129)103(169)135-50-58(142)34-75(135)92(158)115-40-81(110)148/h56-80,90,113,141-147H,3-55H2,1-2H3,(H2,110,148)(H,115,158)(H,116,157)(H,117,160)(H,118,159)(H,119,162)(H,120,161)(H,121,163)(H,122,164)(H,123,167)(H,124,165)(H,125,166)(H4,111,112,114)/t57-,58-,59-,60-,61-,62-,63-,64+,65+,66+,67+,68+,69+,70+,71+,72+,73+,74+,75+,76+,77+,78+,79+,80+,90+/m1/s1
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PubMed
n/an/a 8.40E+3n/an/an/an/an/an/a



Waseda University

Curated by ChEMBL


Assay Description
Binding affinity to mouse recombinant HSP47 expressed in Escherichia coli JM109 after 10 mins by surface plasmon resonance assay


Citation and Details
More data for this
Ligand-Target Pair
Serpin H1


(Mus musculus)
BDBM50320851
PNG
((2S,4R)-N-(2-amino-2-oxoethyl)-1-((S)-1-(2-((2S,4R...)
Show SMILES CC(C)(O)[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(N)=O
Show InChI InChI=1S/C109H163N31O35/c1-109(2,175)89(125-99(166)66-16-6-26-127(66)81(149)42-117-93(160)75-35-58(143)51-136(75)104(171)70-20-10-30-131(70)86(154)46-121-96(163)77-37-60(145)53-138(77)105(172)69-19-9-29-130(69)84(152)43-118-92(159)73-33-56(141)49-134(73)101(168)64-14-4-23-113-64)100(167)123-48-82(150)126-25-5-15-65(126)98(165)124-63(13-3-24-114-108(111)112)90(157)116-41-83(151)128-27-7-17-67(128)103(170)137-52-59(144)36-76(137)94(161)120-45-87(155)132-31-11-21-71(132)107(174)140-55-62(147)39-79(140)97(164)122-47-88(156)133-32-12-22-72(133)106(173)139-54-61(146)38-78(139)95(162)119-44-85(153)129-28-8-18-68(129)102(169)135-50-57(142)34-74(135)91(158)115-40-80(110)148/h56-79,89,113,141-147,175H,3-55H2,1-2H3,(H2,110,148)(H,115,158)(H,116,157)(H,117,160)(H,118,159)(H,119,162)(H,120,161)(H,121,163)(H,122,164)(H,123,167)(H,124,165)(H,125,166)(H4,111,112,114)/t56-,57-,58-,59-,60-,61-,62-,63+,64+,65+,66+,67+,68+,69+,70+,71+,72+,73+,74+,75+,76+,77+,78+,79+,89-/m1/s1
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n/an/a 9.10E+3n/an/an/an/an/an/a



Waseda University

Curated by ChEMBL


Assay Description
Binding affinity to mouse recombinant HSP47 expressed in Escherichia coli JM109 after 10 mins by surface plasmon resonance assay


Citation and Details
More data for this
Ligand-Target Pair
Serpin H1


(Mus musculus)
BDBM50320852
PNG
((2S,4R)-N-(2-amino-2-oxoethyl)-1-((S)-1-(2-((2S,4R...)
Show SMILES C[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(N)=O
Show InChI InChI=1S/C107H159N31O34/c1-55(122-98(164)65-14-4-24-124(65)82(148)42-116-93(159)75-34-58(141)50-134(75)103(169)70-19-9-29-129(70)86(152)46-120-96(162)77-36-60(143)52-136(77)104(170)69-18-8-28-128(69)84(150)43-117-92(158)73-32-56(139)48-132(73)100(166)64-13-3-22-111-64)89(155)114-40-81(147)125-25-5-15-66(125)99(165)123-63(12-2-23-112-107(109)110)90(156)115-41-83(149)126-26-6-16-67(126)102(168)135-51-59(142)35-76(135)94(160)119-45-87(153)130-30-10-20-71(130)106(172)138-54-62(145)38-79(138)97(163)121-47-88(154)131-31-11-21-72(131)105(171)137-53-61(144)37-78(137)95(161)118-44-85(151)127-27-7-17-68(127)101(167)133-49-57(140)33-74(133)91(157)113-39-80(108)146/h55-79,111,139-145H,2-54H2,1H3,(H2,108,146)(H,113,157)(H,114,155)(H,115,156)(H,116,159)(H,117,158)(H,118,161)(H,119,160)(H,120,162)(H,121,163)(H,122,164)(H,123,165)(H4,109,110,112)/t55-,56+,57+,58+,59+,60+,61+,62+,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-/m0/s1
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PubMed
n/an/a 9.30E+3n/an/an/an/an/an/a



Waseda University

Curated by ChEMBL


Assay Description
Binding affinity to mouse recombinant HSP47 expressed in Escherichia coli JM109 after 10 mins by surface plasmon resonance assay


Citation and Details
More data for this
Ligand-Target Pair
Serpin H1


(Mus musculus)
BDBM50320853
PNG
((2S,4S)-N-(2-((S)-2-((S)-1-(2-((S)-2-((2S,4R)-2-(2...)
Show SMILES CN(CC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(N)=O)C(=O)[C@@H]1C[C@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1
Show InChI InChI=1S/C110H163N31O35/c1-125(102(169)82-39-64(149)55-141(82)109(176)74-21-11-31-133(74)90(157)47-123-99(166)81-38-63(148)54-140(81)108(175)73-20-10-30-132(73)89(156)45-121-97(164)78-35-60(145)51-137(78)105(172)70-17-7-27-129(70)85(152)42-118-94(161)75-32-57(142)48-134(75)101(168)66-13-3-22-114-66)56-91(158)126-24-4-14-67(126)100(167)124-65(12-2-23-115-110(112)113)92(159)117-41-84(151)127-25-5-15-68(127)104(171)136-50-59(144)34-77(136)95(162)120-44-87(154)130-28-8-18-71(130)107(174)139-53-62(147)37-80(139)98(165)122-46-88(155)131-29-9-19-72(131)106(173)138-52-61(146)36-79(138)96(163)119-43-86(153)128-26-6-16-69(128)103(170)135-49-58(143)33-76(135)93(160)116-40-83(111)150/h57-82,114,142-149H,2-56H2,1H3,(H2,111,150)(H,116,160)(H,117,159)(H,118,161)(H,119,163)(H,120,162)(H,121,164)(H,122,165)(H,123,166)(H,124,167)(H4,112,113,115)/t57-,58-,59-,60-,61-,62-,63-,64+,65+,66+,67+,68+,69+,70+,71+,72+,73?,74+,75+,76+,77+,78+,79+,80+,81+,82+/m1/s1
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PubMed
n/an/a 9.50E+3n/an/an/an/an/an/a



Waseda University

Curated by ChEMBL


Assay Description
Binding affinity to mouse recombinant HSP47 expressed in Escherichia coli JM109 after 10 mins by surface plasmon resonance assay


Citation and Details
More data for this
Ligand-Target Pair
Serpin H1


(Mus musculus)
BDBM50320870
PNG
((2S,4R)-N-(2-amino-2-oxoethyl)-1-((S)-1-(2-((2S,4R...)
Show SMILES CCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@H]1CCCN1)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(N)=O
Show InChI InChI=1S/C109H163N31O34/c1-2-13-64(124-100(166)67-16-5-27-127(67)84(150)44-118-95(161)77-36-59(143)52-136(77)105(171)72-21-10-31-131(72)88(154)48-122-98(164)79-38-61(145)54-138(79)106(172)71-20-9-30-130(71)86(152)45-119-94(160)75-34-57(141)50-134(75)102(168)66-15-4-24-113-66)91(157)116-42-83(149)126-26-6-17-68(126)101(167)125-65(14-3-25-114-109(111)112)92(158)117-43-85(151)128-28-7-18-69(128)104(170)137-53-60(144)37-78(137)96(162)121-47-89(155)132-32-11-22-73(132)108(174)140-56-63(147)40-81(140)99(165)123-49-90(156)133-33-12-23-74(133)107(173)139-55-62(146)39-80(139)97(163)120-46-87(153)129-29-8-19-70(129)103(169)135-51-58(142)35-76(135)93(159)115-41-82(110)148/h57-81,113,141-147H,2-56H2,1H3,(H2,110,148)(H,115,159)(H,116,157)(H,117,158)(H,118,161)(H,119,160)(H,120,163)(H,121,162)(H,122,164)(H,123,165)(H,124,166)(H,125,167)(H4,111,112,114)/t57-,58-,59-,60-,61-,62-,63-,64+,65+,66-,67+,68+,69+,70+,71+,72+,73+,74+,75+,76+,77+,78+,79+,80+,81+/m1/s1
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PubMed
n/an/a 9.80E+3n/an/an/an/an/an/a



Waseda University

Curated by ChEMBL


Assay Description
Binding affinity to mouse recombinant HSP47 expressed in Escherichia coli JM109 after 10 mins by surface plasmon resonance assay


Citation and Details
More data for this
Ligand-Target Pair
Serpin H1


(Mus musculus)
BDBM50320854
PNG
((2S,4R)-N-(2-amino-2-oxoethyl)-1-((S)-1-(2-((2S,4R...)
Show SMILES C[C@H](O)[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(N)=O
Show InChI InChI=1S/C108H161N31O35/c1-55(140)89(124-99(166)66-15-5-25-126(66)81(149)41-116-93(160)75-34-58(143)50-135(75)104(171)70-19-9-29-130(70)86(154)45-120-96(163)77-36-60(145)52-137(77)105(172)69-18-8-28-129(69)84(152)42-117-92(159)73-32-56(141)48-133(73)101(168)64-13-3-22-112-64)100(167)122-47-82(150)125-24-4-14-65(125)98(165)123-63(12-2-23-113-108(110)111)90(157)115-40-83(151)127-26-6-16-67(127)103(170)136-51-59(144)35-76(136)94(161)119-44-87(155)131-30-10-20-71(131)107(174)139-54-62(147)38-79(139)97(164)121-46-88(156)132-31-11-21-72(132)106(173)138-53-61(146)37-78(138)95(162)118-43-85(153)128-27-7-17-68(128)102(169)134-49-57(142)33-74(134)91(158)114-39-80(109)148/h55-79,89,112,140-147H,2-54H2,1H3,(H2,109,148)(H,114,158)(H,115,157)(H,116,160)(H,117,159)(H,118,162)(H,119,161)(H,120,163)(H,121,164)(H,122,167)(H,123,165)(H,124,166)(H4,110,111,113)/t55-,56+,57+,58+,59+,60+,61+,62+,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,89-/m0/s1
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n/an/a 1.10E+4n/an/an/an/an/an/a



Waseda University

Curated by ChEMBL


Assay Description
Binding affinity to mouse recombinant HSP47 expressed in Escherichia coli JM109 after 10 mins by surface plasmon resonance assay


Citation and Details
More data for this
Ligand-Target Pair
Serpin H1


(Mus musculus)
BDBM50320873
PNG
((2S,4R)-N-(2-amino-2-oxoethyl)-1-((S)-1-(2-((2S,4R...)
Show SMILES N[C@@H](CS)C(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCNC(N)=N)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(N)=O
Show InChI InChI=1S/C101H151N29O32S/c102-59(51-163)93(155)123-28-10-19-68(123)100(162)130-50-58(137)35-75(130)91(153)114-43-83(145)122-27-9-18-67(122)99(161)129-49-57(136)34-74(129)90(152)112-41-80(142)119-24-6-15-64(119)96(158)125-45-53(132)30-70(125)86(148)109-38-77(139)116-21-3-12-61(116)92(154)115-60(11-1-2-20-106-101(104)105)84(146)108-37-78(140)117-22-4-13-62(117)95(157)126-46-54(133)31-71(126)87(149)111-40-81(143)120-25-7-16-65(120)98(160)128-48-56(135)33-73(128)89(151)113-42-82(144)121-26-8-17-66(121)97(159)127-47-55(134)32-72(127)88(150)110-39-79(141)118-23-5-14-63(118)94(156)124-44-52(131)29-69(124)85(147)107-36-76(103)138/h52-75,131-137,163H,1-51,102H2,(H2,103,138)(H,107,147)(H,108,146)(H,109,148)(H,110,150)(H,111,149)(H,112,152)(H,113,151)(H,114,153)(H,115,154)(H4,104,105,106)/t52-,53-,54-,55-,56-,57-,58-,59+,60+,61+,62+,63+,64+,65+,66+,67+,68+,69+,70+,71+,72+,73+,74+,75+/m1/s1
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PubMed
n/an/a 1.40E+4n/an/an/an/an/an/a



Waseda University

Curated by ChEMBL


Assay Description
Binding affinity to mouse recombinant HSP47 expressed in Escherichia coli JM109 after 10 mins by surface plasmon resonance assay


Citation and Details
More data for this
Ligand-Target Pair
Serpin H1


(Mus musculus)
BDBM50320855
PNG
((2S,4R)-N-(2-amino-2-oxoethyl)-1-((S)-1-(2-((2S,4R...)
Show SMILES CN(CC(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(N)=O)C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1
Show InChI InChI=1S/C107H159N31O34/c1-123(100(166)66-15-5-25-125(66)84(150)42-117-93(159)75-34-58(141)51-135(75)104(170)70-19-9-29-129(70)88(154)46-120-96(162)77-36-60(143)52-136(77)103(169)69-18-8-28-128(69)85(151)43-116-92(158)73-32-56(139)48-132(73)99(165)64-13-3-22-111-64)55-81(147)113-40-82(148)124-24-4-14-65(124)98(164)122-63(12-2-23-112-107(109)110)90(156)115-41-83(149)126-26-6-16-67(126)102(168)134-50-59(142)35-76(134)94(160)119-45-87(153)130-30-10-20-71(130)106(172)138-54-62(145)38-79(138)97(163)121-47-89(155)131-31-11-21-72(131)105(171)137-53-61(144)37-78(137)95(161)118-44-86(152)127-27-7-17-68(127)101(167)133-49-57(140)33-74(133)91(157)114-39-80(108)146/h56-79,111,139-145H,2-55H2,1H3,(H2,108,146)(H,113,147)(H,114,157)(H,115,156)(H,116,158)(H,117,159)(H,118,161)(H,119,160)(H,120,162)(H,121,163)(H,122,164)(H4,109,110,112)/t56-,57-,58-,59-,60-,61-,62-,63+,64+,65+,66+,67+,68+,69+,70+,71+,72+,73+,74+,75+,76+,77+,78+,79+/m1/s1
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PubMed
n/an/a 1.80E+4n/an/an/an/an/an/a



Waseda University

Curated by ChEMBL


Assay Description
Binding affinity to mouse recombinant HSP47 expressed in Escherichia coli JM109 after 10 mins by surface plasmon resonance assay


Citation and Details
More data for this
Ligand-Target Pair
Serpin H1


(Mus musculus)
BDBM50320856
PNG
((2S,4R)-N-(2-amino-2-oxoethyl)-1-((S)-1-(2-((2S,4R...)
Show SMILES CC[C@H](C)[C@H](N(C)C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@H]1CCCN1)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(N)=O
Show InChI InChI=1S/C111H167N31O34/c1-4-58(2)92(127(3)104(170)69-18-8-28-129(69)86(153)44-120-96(162)78-37-61(145)54-139(78)108(174)73-22-12-32-133(73)90(157)48-123-99(165)80-39-63(147)55-140(80)107(173)72-21-11-31-132(72)87(154)45-119-95(161)76-35-59(143)51-136(76)103(169)67-16-6-25-115-67)102(168)125-50-84(151)128-27-7-17-68(128)101(167)126-66(15-5-26-116-111(113)114)93(159)118-43-85(152)130-29-9-19-70(130)106(172)138-53-62(146)38-79(138)97(163)122-47-89(156)134-33-13-23-74(134)110(176)142-57-65(149)41-82(142)100(166)124-49-91(158)135-34-14-24-75(135)109(175)141-56-64(148)40-81(141)98(164)121-46-88(155)131-30-10-20-71(131)105(171)137-52-60(144)36-77(137)94(160)117-42-83(112)150/h58-82,92,115,143-149H,4-57H2,1-3H3,(H2,112,150)(H,117,160)(H,118,159)(H,119,161)(H,120,162)(H,121,164)(H,122,163)(H,123,165)(H,124,166)(H,125,168)(H,126,167)(H4,113,114,116)/t58-,59+,60+,61+,62+,63+,64+,65+,66-,67+,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,92-/m0/s1
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n/an/a 1.90E+4n/an/an/an/an/an/a



Waseda University

Curated by ChEMBL


Assay Description
Binding affinity to mouse recombinant HSP47 expressed in Escherichia coli JM109 after 10 mins by surface plasmon resonance assay


Citation and Details
More data for this
Ligand-Target Pair
Serpin H1


(Mus musculus)
BDBM50320857
PNG
((2S,4R)-N-(2-amino-2-oxoethyl)-1-((S)-1-(2-((2S,4R...)
Show SMILES NC(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCO)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@H]1CCCN1
Show InChI InChI=1S/C108H161N31O35/c109-81(148)40-114-92(159)75-34-57(142)50-134(75)102(169)69-16-6-27-128(69)86(153)45-119-96(163)79-38-61(146)54-138(79)106(173)73-20-10-31-132(73)89(156)48-122-98(165)80-39-62(147)55-139(80)107(174)72-19-9-30-131(72)88(155)46-120-95(162)77-36-59(144)52-136(77)103(170)68-15-5-26-127(68)84(151)42-115-90(157)63(11-1-23-113-108(110)111)123-99(166)66-13-3-24-125(66)82(149)41-116-91(158)64(21-32-140)124-100(167)67-14-4-25-126(67)83(150)43-117-94(161)76-35-58(143)51-135(76)104(171)71-18-8-29-130(71)87(154)47-121-97(164)78-37-60(145)53-137(78)105(172)70-17-7-28-129(70)85(152)44-118-93(160)74-33-56(141)49-133(74)101(168)65-12-2-22-112-65/h56-80,112,140-147H,1-55H2,(H2,109,148)(H,114,159)(H,115,157)(H,116,158)(H,117,161)(H,118,160)(H,119,163)(H,120,162)(H,121,164)(H,122,165)(H,123,166)(H,124,167)(H4,110,111,113)/t56-,57-,58-,59-,60-,61-,62-,63+,64+,65-,66+,67+,68+,69+,70+,71+,72+,73+,74+,75+,76+,77+,78+,79+,80+/m1/s1
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n/an/a 2.30E+4n/an/an/an/an/an/a



Waseda University

Curated by ChEMBL


Assay Description
Binding affinity to mouse recombinant HSP47 expressed in Escherichia coli JM109 after 10 mins by surface plasmon resonance assay


Citation and Details
More data for this
Ligand-Target Pair
Serpin H1


(Mus musculus)
BDBM50320858
PNG
((2S,4R)-N-(2-amino-2-oxoethyl)-1-((2S)-1-(2-((2S,4...)
Show SMILES CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(N)=O
Show InChI InChI=1S/C110H165N31O34/c1-2-3-14-65(125-101(167)68-17-7-28-128(68)85(151)45-119-96(162)78-37-60(144)53-137(78)106(172)73-22-11-32-132(73)89(155)49-123-99(165)80-39-62(146)55-139(80)107(173)72-21-10-31-131(72)87(153)46-120-95(161)76-35-58(142)51-135(76)103(169)67-16-5-25-114-67)92(158)117-43-84(150)127-27-6-18-69(127)102(168)126-66(15-4-26-115-110(112)113)93(159)118-44-86(152)129-29-8-19-70(129)105(171)138-54-61(145)38-79(138)97(163)122-48-90(156)133-33-12-23-74(133)109(175)141-57-64(148)41-82(141)100(166)124-50-91(157)134-34-13-24-75(134)108(174)140-56-63(147)40-81(140)98(164)121-47-88(154)130-30-9-20-71(130)104(170)136-52-59(143)36-77(136)94(160)116-42-83(111)149/h58-82,114,142-148H,2-57H2,1H3,(H2,111,149)(H,116,160)(H,117,158)(H,118,159)(H,119,162)(H,120,161)(H,121,164)(H,122,163)(H,123,165)(H,124,166)(H,125,167)(H,126,168)(H4,112,113,115)/t58-,59-,60-,61-,62-,63-,64-,65+,66+,67+,68?,69+,70+,71+,72+,73+,74+,75+,76+,77+,78+,79+,80+,81+,82+/m1/s1
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PubMed
n/an/a 3.50E+4n/an/an/an/an/an/a



Waseda University

Curated by ChEMBL


Assay Description
Binding affinity to mouse recombinant HSP47 expressed in Escherichia coli JM109 after 10 mins by surface plasmon resonance assay


Citation and Details
More data for this
Ligand-Target Pair
Serpin H1


(Mus musculus)
BDBM50320859
PNG
((2S,4R)-N-(2-amino-2-oxoethyl)-1-((S)-1-(2-((2S,4R...)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@H]1CCCN1)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(N)=O
Show InChI InChI=1S/C110H165N31O34/c1-57(2)33-67(126-102(168)69-16-6-26-128(69)85(151)44-119-96(162)78-36-60(144)52-137(78)106(172)73-20-10-30-132(73)89(155)48-123-99(165)80-38-62(146)54-139(80)107(173)72-19-9-29-131(72)87(153)45-120-95(161)76-34-58(142)50-135(76)103(169)66-14-4-23-114-66)93(159)118-42-84(150)127-25-5-15-68(127)101(167)125-65(13-3-24-115-110(112)113)92(158)117-43-86(152)129-27-7-17-70(129)105(171)138-53-61(145)37-79(138)97(163)122-47-90(156)133-31-11-21-74(133)109(175)141-56-64(148)40-82(141)100(166)124-49-91(157)134-32-12-22-75(134)108(174)140-55-63(147)39-81(140)98(164)121-46-88(154)130-28-8-18-71(130)104(170)136-51-59(143)35-77(136)94(160)116-41-83(111)149/h57-82,114,142-148H,3-56H2,1-2H3,(H2,111,149)(H,116,160)(H,117,158)(H,118,159)(H,119,162)(H,120,161)(H,121,164)(H,122,163)(H,123,165)(H,124,166)(H,125,167)(H,126,168)(H4,112,113,115)/t58-,59-,60-,61-,62-,63-,64-,65+,66-,67+,68+,69+,70+,71+,72+,73+,74+,75+,76+,77+,78+,79+,80+,81+,82+/m1/s1
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PubMed
n/an/a 3.70E+4n/an/an/an/an/an/a



Waseda University

Curated by ChEMBL


Assay Description
Binding affinity to mouse recombinant HSP47 expressed in Escherichia coli JM109 after 10 mins by surface plasmon resonance assay


Citation and Details
More data for this
Ligand-Target Pair
Serpin H1


(Mus musculus)
BDBM50320860
PNG
((S)-N1-(2-((S)-2-((S)-1-(2-((S)-2-((2S,4R)-2-(2-((...)
Show SMILES NC(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@H]1CCCN1
Show InChI InChI=1S/C108H160N32O35/c109-80(148)38-64(125-100(168)66-14-4-24-127(66)83(151)42-118-94(162)75-33-57(143)50-136(75)104(172)70-18-8-28-131(70)87(155)46-122-97(165)77-35-59(145)52-138(77)105(173)69-17-7-27-130(69)85(153)43-119-93(161)73-31-55(141)48-134(73)101(169)63-12-2-21-113-63)91(159)117-40-82(150)126-23-3-13-65(126)99(167)124-62(11-1-22-114-108(111)112)90(158)116-41-84(152)128-25-5-15-67(128)103(171)137-51-58(144)34-76(137)95(163)121-45-88(156)132-29-9-19-71(132)107(175)140-54-61(147)37-79(140)98(166)123-47-89(157)133-30-10-20-72(133)106(174)139-53-60(146)36-78(139)96(164)120-44-86(154)129-26-6-16-68(129)102(170)135-49-56(142)32-74(135)92(160)115-39-81(110)149/h55-79,113,141-147H,1-54H2,(H2,109,148)(H2,110,149)(H,115,160)(H,116,158)(H,117,159)(H,118,162)(H,119,161)(H,120,164)(H,121,163)(H,122,165)(H,123,166)(H,124,167)(H,125,168)(H4,111,112,114)/t55-,56-,57-,58-,59-,60-,61-,62+,63-,64+,65+,66+,67+,68+,69+,70+,71+,72+,73+,74+,75+,76+,77+,78+,79+/m1/s1
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PubMed
n/an/a 4.10E+4n/an/an/an/an/an/a



Waseda University

Curated by ChEMBL


Assay Description
Binding affinity to mouse recombinant HSP47 expressed in Escherichia coli JM109 after 10 mins by surface plasmon resonance assay


Citation and Details
More data for this
Ligand-Target Pair
Serpin H1


(Mus musculus)
BDBM50320861
PNG
((2S,4R)-N-(2-amino-2-oxoethyl)-1-((S)-1-(2-((2S,4R...)
Show SMILES CSCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(N)=O
Show InChI InChI=1S/C109H163N31O34S/c1-175-33-22-65(125-101(167)68-15-5-26-127(68)84(150)44-118-95(161)77-36-59(143)52-136(77)105(171)72-19-9-30-131(72)88(154)48-122-98(164)79-38-61(145)54-138(79)106(172)71-18-8-29-130(71)86(152)45-119-94(160)75-34-57(141)50-134(75)102(168)66-13-3-23-113-66)92(158)117-42-83(149)126-25-4-14-67(126)100(166)124-64(12-2-24-114-109(111)112)91(157)116-43-85(151)128-27-6-16-69(128)104(170)137-53-60(144)37-78(137)96(162)121-47-89(155)132-31-10-20-73(132)108(174)140-56-63(147)40-81(140)99(165)123-49-90(156)133-32-11-21-74(133)107(173)139-55-62(146)39-80(139)97(163)120-46-87(153)129-28-7-17-70(129)103(169)135-51-58(142)35-76(135)93(159)115-41-82(110)148/h57-81,113,141-147H,2-56H2,1H3,(H2,110,148)(H,115,159)(H,116,157)(H,117,158)(H,118,161)(H,119,160)(H,120,163)(H,121,162)(H,122,164)(H,123,165)(H,124,166)(H,125,167)(H4,111,112,114)/t57-,58-,59-,60-,61-,62-,63-,64+,65+,66+,67+,68+,69+,70+,71+,72+,73+,74+,75+,76+,77+,78+,79+,80+,81+/m1/s1
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n/an/a 4.30E+4n/an/an/an/an/an/a



Waseda University

Curated by ChEMBL


Assay Description
Binding affinity to mouse recombinant HSP47 expressed in Escherichia coli JM109 after 10 mins by surface plasmon resonance assay


Citation and Details
More data for this
Ligand-Target Pair
Serpin H1


(Mus musculus)
BDBM50320862
PNG
((2S,4R)-N-(2-amino-2-oxoethyl)-1-((S)-1-(2-((2S,4R...)
Show SMILES NC(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@H]1CCCN1
Show InChI InChI=1S/C110H161N33O34/c111-83(151)40-117-94(162)77-33-59(145)50-138(77)104(172)71-16-6-26-132(71)88(156)45-122-98(166)81-37-63(149)54-142(81)108(176)75-20-10-30-136(75)91(159)48-125-100(168)82-38-64(150)55-143(82)109(177)74-19-9-29-135(74)90(158)46-123-97(165)79-35-61(147)52-140(79)105(173)70-15-5-25-131(70)86(154)42-118-92(160)65(11-1-22-116-110(112)113)127-101(169)68-13-3-23-129(68)84(152)41-119-93(161)67(31-57-39-114-56-126-57)128-102(170)69-14-4-24-130(69)85(153)43-120-96(164)78-34-60(146)51-139(78)106(174)73-18-8-28-134(73)89(157)47-124-99(167)80-36-62(148)53-141(80)107(175)72-17-7-27-133(72)87(155)44-121-95(163)76-32-58(144)49-137(76)103(171)66-12-2-21-115-66/h39,56,58-82,115,144-150H,1-38,40-55H2,(H2,111,151)(H,114,126)(H,117,162)(H,118,160)(H,119,161)(H,120,164)(H,121,163)(H,122,166)(H,123,165)(H,124,167)(H,125,168)(H,127,169)(H,128,170)(H4,112,113,116)/t58-,59-,60-,61-,62-,63-,64-,65+,66-,67+,68+,69+,70+,71+,72+,73+,74+,75+,76+,77+,78+,79+,80+,81+,82+/m1/s1
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n/an/a 6.40E+4n/an/an/an/an/an/a



Waseda University

Curated by ChEMBL


Assay Description
Binding affinity to mouse recombinant HSP47 expressed in Escherichia coli JM109 after 10 mins by surface plasmon resonance assay


Citation and Details
More data for this
Ligand-Target Pair
Serpin H1


(Mus musculus)
BDBM50320863
PNG
((2S,4R)-N-(2-amino-2-oxoethyl)-1-((S)-1-(2-((2S,4R...)
Show SMILES NC(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1
Show InChI InChI=1S/C113H163N31O34/c114-86(152)44-119-97(163)80-38-62(146)54-139(80)107(173)74-21-9-31-133(74)91(157)49-124-101(167)84-42-66(150)58-143(84)111(177)78-25-13-35-137(78)94(160)52-127-103(169)85-43-67(151)59-144(85)112(178)77-24-12-34-136(77)93(159)50-125-100(166)82-40-64(148)56-141(82)108(174)73-20-8-30-132(73)89(155)46-120-95(161)68(16-4-27-118-113(115)116)128-104(170)71-18-6-28-130(71)87(153)45-121-96(162)70(36-60-14-2-1-3-15-60)129-105(171)72-19-7-29-131(72)88(154)47-122-99(165)81-39-63(147)55-140(81)109(175)76-23-11-33-135(76)92(158)51-126-102(168)83-41-65(149)57-142(83)110(176)75-22-10-32-134(75)90(156)48-123-98(164)79-37-61(145)53-138(79)106(172)69-17-5-26-117-69/h1-3,14-15,61-85,117,145-151H,4-13,16-59H2,(H2,114,152)(H,119,163)(H,120,161)(H,121,162)(H,122,165)(H,123,164)(H,124,167)(H,125,166)(H,126,168)(H,127,169)(H,128,170)(H,129,171)(H4,115,116,118)/t61-,62-,63-,64-,65-,66-,67-,68+,69+,70+,71+,72+,73+,74+,75+,76+,77+,78+,79+,80+,81+,82+,83+,84+,85+/m1/s1
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n/an/a 7.90E+4n/an/an/an/an/an/a



Waseda University

Curated by ChEMBL


Assay Description
Binding affinity to mouse recombinant HSP47 expressed in Escherichia coli JM109 after 10 mins by surface plasmon resonance assay


Citation and Details
More data for this
Ligand-Target Pair
Serpin H1


(Mus musculus)
BDBM50320864
PNG
((2S,4R)-N-(2-amino-2-oxoethyl)-1-((S)-1-(2-((2S,4R...)
Show SMILES NC(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@H]1CCCN1
Show InChI InChI=1S/C113H163N31O35/c114-86(153)43-119-97(164)80-37-62(147)53-139(80)107(174)74-16-6-30-133(74)91(158)48-124-101(168)84-41-66(151)57-143(84)111(178)78-20-10-34-137(78)94(161)51-127-103(170)85-42-67(152)58-144(85)112(179)77-19-9-33-136(77)93(160)49-125-100(167)82-39-64(149)55-141(82)108(175)73-15-5-29-132(73)89(156)45-120-95(162)68(11-1-26-118-113(115)116)128-104(171)71-13-3-27-130(71)87(154)44-121-96(163)70(35-59-21-23-60(145)24-22-59)129-105(172)72-14-4-28-131(72)88(155)46-122-99(166)81-38-63(148)54-140(81)109(176)76-18-8-32-135(76)92(159)50-126-102(169)83-40-65(150)56-142(83)110(177)75-17-7-31-134(75)90(157)47-123-98(165)79-36-61(146)52-138(79)106(173)69-12-2-25-117-69/h21-24,61-85,117,145-152H,1-20,25-58H2,(H2,114,153)(H,119,164)(H,120,162)(H,121,163)(H,122,166)(H,123,165)(H,124,168)(H,125,167)(H,126,169)(H,127,170)(H,128,171)(H,129,172)(H4,115,116,118)/t61-,62-,63-,64-,65-,66-,67-,68+,69-,70+,71+,72+,73+,74+,75+,76+,77+,78+,79+,80+,81+,82+,83+,84+,85+/m1/s1
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n/an/a 9.50E+4n/an/an/an/an/an/a



Waseda University

Curated by ChEMBL


Assay Description
Binding affinity to mouse recombinant HSP47 expressed in Escherichia coli JM109 after 10 mins by surface plasmon resonance assay


Citation and Details
More data for this
Ligand-Target Pair
Serpin H1


(Mus musculus)
BDBM50320866
PNG
((S)-N1-(2-((S)-2-((S)-1-(2-((S)-2-((2S,4R)-2-(2-((...)
Show SMILES NC(=O)CC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(N)=O
Show InChI InChI=1S/C109H162N32O35/c110-81(149)22-21-64(126-101(169)67-14-4-26-128(67)84(152)43-119-95(163)76-35-58(144)51-137(76)105(173)71-18-8-30-132(71)88(156)47-123-98(166)78-37-60(146)53-139(78)106(174)70-17-7-29-131(70)86(154)44-120-94(162)74-33-56(142)49-135(74)102(170)65-12-2-23-114-65)92(160)118-41-83(151)127-25-3-13-66(127)100(168)125-63(11-1-24-115-109(112)113)91(159)117-42-85(153)129-27-5-15-68(129)104(172)138-52-59(145)36-77(138)96(164)122-46-89(157)133-31-9-19-72(133)108(176)141-55-62(148)39-80(141)99(167)124-48-90(158)134-32-10-20-73(134)107(175)140-54-61(147)38-79(140)97(165)121-45-87(155)130-28-6-16-69(130)103(171)136-50-57(143)34-75(136)93(161)116-40-82(111)150/h56-80,114,142-148H,1-55H2,(H2,110,149)(H2,111,150)(H,116,161)(H,117,159)(H,118,160)(H,119,163)(H,120,162)(H,121,165)(H,122,164)(H,123,166)(H,124,167)(H,125,168)(H,126,169)(H4,112,113,115)/t56-,57-,58-,59-,60-,61-,62-,63+,64+,65+,66+,67+,68+,69+,70+,71+,72+,73+,74+,75+,76+,77+,78+,79+,80+/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Waseda University

Curated by ChEMBL


Assay Description
Binding affinity to mouse recombinant HSP47 expressed in Escherichia coli JM109 after 10 mins by surface plasmon resonance assay


Citation and Details
More data for this
Ligand-Target Pair
Serpin H1


(Mus musculus)
BDBM50320867
PNG
((S)-5-(2-((S)-2-((S)-1-(2-((S)-2-((2S,4R)-2-(2-((S...)
Show SMILES NC(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1
Show InChI InChI=1S/C109H161N31O36/c110-81(148)40-115-93(161)75-34-57(142)50-135(75)103(171)69-16-6-28-129(69)86(153)45-120-97(165)79-38-61(146)54-139(79)107(175)73-20-10-32-133(73)89(156)48-123-99(167)80-39-62(147)55-140(80)108(176)72-19-9-31-132(72)88(155)46-121-96(164)77-36-59(144)52-137(77)104(172)68-15-5-27-128(68)84(151)42-116-91(159)63(11-1-24-114-109(111)112)124-100(168)66-13-3-25-126(66)82(149)41-117-92(160)64(21-22-90(157)158)125-101(169)67-14-4-26-127(67)83(150)43-118-95(163)76-35-58(143)51-136(76)105(173)71-18-8-30-131(71)87(154)47-122-98(166)78-37-60(145)53-138(78)106(174)70-17-7-29-130(70)85(152)44-119-94(162)74-33-56(141)49-134(74)102(170)65-12-2-23-113-65/h56-80,113,141-147H,1-55H2,(H2,110,148)(H,115,161)(H,116,159)(H,117,160)(H,118,163)(H,119,162)(H,120,165)(H,121,164)(H,122,166)(H,123,167)(H,124,168)(H,125,169)(H,157,158)(H4,111,112,114)/t56-,57-,58-,59-,60-,61-,62-,63+,64+,65+,66+,67+,68+,69+,70+,71+,72+,73+,74+,75+,76+,77+,78+,79+,80+/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Waseda University

Curated by ChEMBL


Assay Description
Binding affinity to mouse recombinant HSP47 expressed in Escherichia coli JM109 after 10 mins by surface plasmon resonance assay


Citation and Details
More data for this
Ligand-Target Pair
Serpin H1


(Mus musculus)
BDBM50320868
PNG
((S)-4-(2-((S)-2-((S)-1-(2-((S)-2-((2S,4R)-2-(2-((S...)
Show SMILES NC(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@H]1CCCN1
Show InChI InChI=1S/C108H159N31O36/c109-80(147)39-114-92(160)74-32-56(141)49-134(74)102(170)68-16-6-26-128(68)85(152)44-119-96(164)78-36-60(145)53-138(78)106(174)72-20-10-30-132(72)88(155)47-122-98(166)79-37-61(146)54-139(79)107(175)71-19-9-29-131(71)87(154)45-120-95(163)76-34-58(143)51-136(76)103(171)67-15-5-25-127(67)83(150)41-115-90(158)62(11-1-22-113-108(110)111)123-99(167)65-13-3-23-125(65)81(148)40-116-91(159)64(38-89(156)157)124-100(168)66-14-4-24-126(66)82(149)42-117-94(162)75-33-57(142)50-135(75)104(172)70-18-8-28-130(70)86(153)46-121-97(165)77-35-59(144)52-137(77)105(173)69-17-7-27-129(69)84(151)43-118-93(161)73-31-55(140)48-133(73)101(169)63-12-2-21-112-63/h55-79,112,140-146H,1-54H2,(H2,109,147)(H,114,160)(H,115,158)(H,116,159)(H,117,162)(H,118,161)(H,119,164)(H,120,163)(H,121,165)(H,122,166)(H,123,167)(H,124,168)(H,156,157)(H4,110,111,113)/t55-,56-,57-,58-,59-,60-,61-,62+,63-,64+,65+,66+,67+,68+,69+,70+,71+,72+,73+,74+,75+,76+,77+,78+,79+/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Waseda University

Curated by ChEMBL


Assay Description
Binding affinity to mouse recombinant HSP47 expressed in Escherichia coli JM109 after 10 mins by surface plasmon resonance assay


Citation and Details
More data for this
Ligand-Target Pair
Serpin H1


(Mus musculus)
BDBM50320835
PNG
((2S,4R)-N-(2-amino-2-oxoethyl)-1-((S)-1-(2-((2S,4R...)
Show SMILES N[C@@H](CS)C(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCNC(N)=O)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(=O)N1CCC[C@@H]1C(=O)N1C[C@@H](O)C[C@@H]1C(=O)NCC(=O)N1CCC[C@@H]1C(=O)N1C[C@@H](O)C[C@@H]1C(=O)NCC(=O)N1CCC[C@@H]1C(=O)N1C[C@@H](O)C[C@@H]1C(=O)NCC(N)=O
Show InChI InChI=1S/C101H150N28O33S/c102-59(51-163)93(154)122-28-10-19-68(122)100(161)129-50-58(136)35-75(129)91(152)113-43-83(144)121-27-9-18-67(121)99(160)128-49-57(135)34-74(128)90(151)111-41-80(141)118-24-6-15-64(118)96(157)124-45-53(131)30-70(124)86(147)108-38-77(138)115-21-3-12-61(115)92(153)114-60(11-1-2-20-105-101(104)162)84(145)107-37-78(139)116-22-4-13-62(116)95(156)125-46-54(132)31-71(125)87(148)110-40-81(142)119-25-7-16-65(119)98(159)127-48-56(134)33-73(127)89(150)112-42-82(143)120-26-8-17-66(120)97(158)126-47-55(133)32-72(126)88(149)109-39-79(140)117-23-5-14-63(117)94(155)123-44-52(130)29-69(123)85(146)106-36-76(103)137/h52-75,130-136,163H,1-51,102H2,(H2,103,137)(H,106,146)(H,107,145)(H,108,147)(H,109,149)(H,110,148)(H,111,151)(H,112,150)(H,113,152)(H,114,153)(H3,104,105,162)/t52-,53+,54+,55-,56-,57+,58+,59-,60-,61-,62-,63+,64-,65+,66+,67-,68-,69+,70-,71-,72+,73+,74-,75-/m0/s1
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PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Waseda University

Curated by ChEMBL


Assay Description
Binding affinity to mouse recombinant HSP47 expressed in Escherichia coli JM109 after 10 mins by surface plasmon resonance assay


Citation and Details
More data for this
Ligand-Target Pair
Serpin H1


(Mus musculus)
BDBM50320874
PNG
((2S,4R)-N-(2-((S)-2-((S)-6-amino-1-(2-((S)-2-((2S,...)
Show SMILES NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H]1C[C@H](O)CN1C(=O)[C@H]1CCCN1C(=O)CNC(=O)[C@H]1C[C@H](O)CN1C(=O)[C@H]1CCCN1C(=O)[C@H](N)CS)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(O)=O
Show InChI InChI=1S/C100H148N26O33S/c101-20-2-1-11-60(111-92(151)61-12-3-21-112(61)76(134)37-104-85(144)69-29-52(127)44-120(69)95(154)63-14-5-23-114(63)78(136)39-106-88(147)72-32-55(130)48-124(72)98(157)66-17-8-26-117(66)82(140)42-109-90(149)74-34-57(132)50-126(74)100(159)68-19-10-28-119(68)93(152)59(102)51-160)84(143)103-36-77(135)113-22-4-13-62(113)94(153)121-45-53(128)30-70(121)86(145)105-38-79(137)115-24-6-15-64(115)96(155)122-46-54(129)31-71(122)87(146)107-40-80(138)116-25-7-16-65(116)97(156)123-47-56(131)33-73(123)89(148)108-41-81(139)118-27-9-18-67(118)99(158)125-49-58(133)35-75(125)91(150)110-43-83(141)142/h52-75,127-133,160H,1-51,101-102H2,(H,103,143)(H,104,144)(H,105,145)(H,106,147)(H,107,146)(H,108,148)(H,109,149)(H,110,150)(H,111,151)(H,141,142)/t52-,53-,54-,55+,56-,57+,58-,59-,60+,61+,62+,63+,64+,65+,66-,67+,68-,69+,70+,71+,72-,73+,74-,75+/m1/s1
PDB

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UniProtKB/SwissProt

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Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Waseda University

Curated by ChEMBL


Assay Description
Binding affinity to mouse recombinant HSP47 expressed in Escherichia coli JM109 after 10 mins by surface plasmon resonance assay


Citation and Details
More data for this
Ligand-Target Pair
Serpin H1


(Mus musculus)
BDBM50320833
PNG
(2-((2S,4R)-1-((S)-1-(2-((2S,4R)-1-((S)-1-(2-((2S,4...)
Show SMILES NCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CS)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1C[C@@H](O)C[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1C[C@@H](O)C[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1C[C@@H](O)C[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(O)=O
Show InChI InChI=1S/C99H146N26O33S/c100-19-1-10-59(110-91(150)60-11-2-20-111(60)75(133)36-103-84(143)68-28-51(126)43-119(68)94(153)62-13-4-22-113(62)77(135)38-105-87(146)71-31-54(129)47-123(71)97(156)65-16-7-25-116(65)81(139)41-108-89(148)73-33-56(131)49-125(73)99(158)67-18-9-27-118(67)92(151)58(101)50-159)83(142)102-35-76(134)112-21-3-12-61(112)93(152)120-44-52(127)29-69(120)85(144)104-37-78(136)114-23-5-14-63(114)95(154)121-45-53(128)30-70(121)86(145)106-39-79(137)115-24-6-15-64(115)96(155)122-46-55(130)32-72(122)88(147)107-40-80(138)117-26-8-17-66(117)98(157)124-48-57(132)34-74(124)90(149)109-42-82(140)141/h51-74,126-132,159H,1-50,100-101H2,(H,102,142)(H,103,143)(H,104,144)(H,105,146)(H,106,145)(H,107,147)(H,108,148)(H,109,149)(H,110,150)(H,140,141)/t51-,52+,53+,54-,55+,56-,57-,58+,59+,60+,61+,62+,63+,64+,65+,66+,67+,68+,69+,70+,71+,72+,73+,74+/m1/s1
PDB

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UniProtKB/SwissProt

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Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Waseda University

Curated by ChEMBL


Assay Description
Binding affinity to mouse recombinant HSP47 expressed in Escherichia coli JM109 after 10 mins by surface plasmon resonance assay


Citation and Details
More data for this
Ligand-Target Pair
Serpin H1


(Mus musculus)
BDBM50320836
PNG
((2S,4R)-N-(2-amino-2-oxoethyl)-1-((S)-1-(2-((2S,4R...)
Show SMILES N[C@@H](CS)C(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(N)=O
Show InChI InChI=1S/C99H144N26O33S/c100-58(49-159)91(150)117-24-8-16-66(117)99(158)125-48-57(133)32-74(125)90(149)109-40-82(141)116-23-7-15-65(116)98(157)124-47-56(132)31-73(124)89(148)108-39-81(140)115-22-6-14-64(115)97(156)123-46-55(131)30-72(123)88(147)107-38-80(139)114-21-5-13-63(114)96(155)122-45-54(130)29-71(122)87(146)106-37-79(138)113-20-4-12-62(113)95(154)121-44-53(129)28-70(121)86(145)105-36-78(137)112-19-3-11-61(112)94(153)120-43-52(128)27-69(120)85(144)104-35-77(136)111-18-2-10-60(111)93(152)119-42-51(127)26-68(119)84(143)103-34-76(135)110-17-1-9-59(110)92(151)118-41-50(126)25-67(118)83(142)102-33-75(101)134/h50-74,126-133,159H,1-49,100H2,(H2,101,134)(H,102,142)(H,103,143)(H,104,144)(H,105,145)(H,106,146)(H,107,147)(H,108,148)(H,109,149)/t50-,51-,52-,53-,54-,55-,56-,57-,58+,59+,60+,61+,62+,63+,64+,65+,66+,67+,68+,69+,70+,71+,72+,73+,74+/m1/s1
PDB

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UniProtKB/SwissProt

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CHEMBL
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UniChem

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Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Waseda University

Curated by ChEMBL


Assay Description
Binding affinity to mouse recombinant HSP47 expressed in Escherichia coli JM109 after 10 mins by surface plasmon resonance assay


Citation and Details
More data for this
Ligand-Target Pair
Serpin H1


(Mus musculus)
BDBM50320834
PNG
((2S,4R)-N-(2-amino-2-oxoethyl)-1-((S)-1-(2-((2S,4R...)
Show SMILES N[C@@H](CS)C(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=O)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(N)=O
Show InChI InChI=1S/C100H148N28O33S/c101-58(50-162)92(153)121-27-9-18-67(121)99(160)128-49-57(135)34-74(128)90(151)112-42-82(143)120-26-8-17-66(120)98(159)127-48-56(134)33-73(127)89(150)110-40-79(140)117-23-5-14-63(117)95(156)123-44-52(130)29-69(123)85(146)107-37-76(137)114-20-2-11-60(114)91(152)113-59(10-1-19-104-100(103)161)83(144)106-36-77(138)115-21-3-12-61(115)94(155)124-45-53(131)30-70(124)86(147)109-39-80(141)118-24-6-15-64(118)97(158)126-47-55(133)32-72(126)88(149)111-41-81(142)119-25-7-16-65(119)96(157)125-46-54(132)31-71(125)87(148)108-38-78(139)116-22-4-13-62(116)93(154)122-43-51(129)28-68(122)84(145)105-35-75(102)136/h51-74,129-135,162H,1-50,101H2,(H2,102,136)(H,105,145)(H,106,144)(H,107,146)(H,108,148)(H,109,147)(H,110,150)(H,111,149)(H,112,151)(H,113,152)(H3,103,104,161)/t51-,52-,53-,54-,55-,56-,57-,58+,59+,60+,61+,62+,63+,64+,65+,66+,67+,68+,69+,70+,71+,72+,73+,74+/m1/s1
PDB

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UniProtKB/SwissProt

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UniChem

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Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Waseda University

Curated by ChEMBL


Assay Description
Binding affinity to mouse recombinant HSP47 expressed in Escherichia coli JM109 after 10 mins by surface plasmon resonance assay


Citation and Details
More data for this
Ligand-Target Pair
Serpin H1


(Mus musculus)
BDBM50320865
PNG
((2S,4R)-N-(2-((S)-2-((S)-6-amino-1-(2-((S)-2-((S)-...)
Show SMILES NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(N)=O
Show InChI InChI=1S/C110H166N32O34/c111-24-2-1-13-65(126-101(168)68-16-6-28-129(68)85(152)45-120-96(163)78-37-60(145)53-138(78)106(173)73-21-10-32-133(73)89(156)49-124-99(166)80-39-62(147)55-140(80)107(174)72-20-9-31-132(72)87(154)46-121-95(162)76-35-58(143)51-136(76)103(170)67-15-4-25-115-67)92(159)118-43-84(151)128-27-5-17-69(128)102(169)127-66(14-3-26-116-110(113)114)93(160)119-44-86(153)130-29-7-18-70(130)105(172)139-54-61(146)38-79(139)97(164)123-48-90(157)134-33-11-22-74(134)109(176)142-57-64(149)41-82(142)100(167)125-50-91(158)135-34-12-23-75(135)108(175)141-56-63(148)40-81(141)98(165)122-47-88(155)131-30-8-19-71(131)104(171)137-52-59(144)36-77(137)94(161)117-42-83(112)150/h58-82,115,143-149H,1-57,111H2,(H2,112,150)(H,117,161)(H,118,159)(H,119,160)(H,120,163)(H,121,162)(H,122,165)(H,123,164)(H,124,166)(H,125,167)(H,126,168)(H,127,169)(H4,113,114,116)/t58-,59-,60-,61-,62-,63-,64-,65+,66+,67+,68+,69+,70+,71+,72+,73+,74+,75+,76+,77+,78+,79+,80+,81+,82+/m1/s1
PDB

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UniProtKB/SwissProt

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UniChem

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Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Waseda University

Curated by ChEMBL


Assay Description
Binding affinity to mouse recombinant HSP47 expressed in Escherichia coli JM109 after 10 mins by surface plasmon resonance assay


Citation and Details
More data for this
Ligand-Target Pair
Serpin H1


(Mus musculus)
BDBM50320869
PNG
((S)-5-(2-((S)-2-((S)-1-(2-((S)-2-((S)-1-(2-((S)-2-...)
Show SMILES NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1
Show InChI InChI=1S/C110H166N34O30/c111-81(146)52-119-94(160)67-20-7-46-139(67)104(170)76-29-13-42-135(76)86(151)57-124-97(163)70-23-10-49-142(70)106(172)78-31-15-44-137(78)88(153)59-126-98(164)71-24-11-50-143(71)107(173)77-30-14-43-136(77)87(152)58-125-96(162)69-22-9-48-141(69)105(171)75-28-12-41-134(75)85(150)55-121-92(158)64(18-2-37-118-110(114)115)129-100(166)72-25-4-38-131(72)82(147)53-120-91(157)63(17-1-36-117-109(112)113)128-101(167)73-26-5-39-132(73)83(148)54-122-93(159)65(33-34-90(155)156)130-102(168)74-27-6-40-133(74)84(149)56-123-95(161)68-21-8-47-140(68)108(174)79-32-16-45-138(79)89(154)60-127-99(165)80-51-62(145)61-144(80)103(169)66-19-3-35-116-66/h62-80,116,145H,1-61H2,(H2,111,146)(H,119,160)(H,120,157)(H,121,158)(H,122,159)(H,123,161)(H,124,163)(H,125,162)(H,126,164)(H,127,165)(H,128,167)(H,129,166)(H,130,168)(H,155,156)(H4,112,113,117)(H4,114,115,118)/t62-,63+,64+,65+,66+,67+,68+,69+,70+,71+,72+,73+,74+,75+,76+,77+,78+,79+,80+/m1/s1
PDB

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UniChem

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Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Waseda University

Curated by ChEMBL


Assay Description
Binding affinity to mouse recombinant HSP47 expressed in Escherichia coli JM109 after 10 mins by surface plasmon resonance assay


Citation and Details
More data for this
Ligand-Target Pair