Found 42 hits of ic50 for UniProtKB: P19324 Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kcal/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
Serpin H1
(Mus musculus) | BDBM50320837
(CHEMBL1163302)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 |r| 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
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 580 | n/a | n/a | n/a | n/a | n/a | n/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 |
Bioorg Med Chem 18: 3767-75 (2010)
Article DOI: 10.1016/j.bmc.2010.04.054
BindingDB Entry DOI: 10.7270/Q2J966JM |
More data for this
Ligand-Target Pair | |
Serpin H1
(Mus musculus) | BDBM50320838
(CHEMBL1163304)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 |r| 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
KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 640 | n/a | n/a | n/a | n/a | n/a | n/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 |
Bioorg Med Chem 18: 3767-75 (2010)
Article DOI: 10.1016/j.bmc.2010.04.054
BindingDB Entry DOI: 10.7270/Q2J966JM |
More data for this
Ligand-Target Pair | |
Serpin H1
(Mus musculus) | BDBM50320839
(CHEMBL2372617)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 |r| 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
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 690 | n/a | n/a | n/a | n/a | n/a | n/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 |
Bioorg Med Chem 18: 3767-75 (2010)
Article DOI: 10.1016/j.bmc.2010.04.054
BindingDB Entry DOI: 10.7270/Q2J966JM |
More data for this
Ligand-Target Pair | |
Serpin H1
(Mus musculus) | BDBM50320841
(CHEMBL1163305)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 |r| 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
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 940 | n/a | n/a | n/a | n/a | n/a | n/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 |
Bioorg Med Chem 18: 3767-75 (2010)
Article DOI: 10.1016/j.bmc.2010.04.054
BindingDB Entry DOI: 10.7270/Q2J966JM |
More data for this
Ligand-Target Pair | |
Serpin H1
(Mus musculus) | BDBM50320840
(CHEMBL1163301)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 |r| 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
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 940 | n/a | n/a | n/a | n/a | n/a | n/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 |
Bioorg Med Chem 18: 3767-75 (2010)
Article DOI: 10.1016/j.bmc.2010.04.054
BindingDB Entry DOI: 10.7270/Q2J966JM |
More data for this
Ligand-Target Pair | |
Serpin H1
(Mus musculus) | BDBM50320842
(CHEMBL1163307)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 |r| 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
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.10E+3 | n/a | n/a | n/a | n/a | n/a | n/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 |
Bioorg Med Chem 18: 3767-75 (2010)
Article DOI: 10.1016/j.bmc.2010.04.054
BindingDB Entry DOI: 10.7270/Q2J966JM |
More data for this
Ligand-Target Pair | |
Serpin H1
(Mus musculus) | BDBM50320843
(CHEMBL1163300)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 |r| 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
KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.40E+3 | n/a | n/a | n/a | n/a | n/a | n/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 |
Bioorg Med Chem 18: 3767-75 (2010)
Article DOI: 10.1016/j.bmc.2010.04.054
BindingDB Entry DOI: 10.7270/Q2J966JM |
More data for this
Ligand-Target Pair | |
Serpin H1
(Mus musculus) | BDBM50320844
(CHEMBL1163303)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 |r| 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 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.40E+3 | n/a | n/a | n/a | n/a | n/a | n/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 |
Bioorg Med Chem 18: 3767-75 (2010)
Article DOI: 10.1016/j.bmc.2010.04.054
BindingDB Entry DOI: 10.7270/Q2J966JM |
More data for this
Ligand-Target Pair | |
Serpin H1
(Mus musculus) | BDBM50320871
(CHEMBL1164326)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 |r| 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
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.50E+3 | n/a | n/a | n/a | n/a | n/a | n/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 |
Bioorg Med Chem 18: 3767-75 (2010)
Article DOI: 10.1016/j.bmc.2010.04.054
BindingDB Entry DOI: 10.7270/Q2J966JM |
More data for this
Ligand-Target Pair | |
Serpin H1
(Mus musculus) | BDBM50320845
(CHEMBL1165391)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 |r| 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
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.00E+3 | n/a | n/a | n/a | n/a | n/a | n/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 |
Bioorg Med Chem 18: 3767-75 (2010)
Article DOI: 10.1016/j.bmc.2010.04.054
BindingDB Entry DOI: 10.7270/Q2J966JM |
More data for this
Ligand-Target Pair | |
Serpin H1
(Mus musculus) | BDBM50320872
(CHEMBL1163295)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 |r| 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
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.10E+3 | n/a | n/a | n/a | n/a | n/a | n/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 |
Bioorg Med Chem 18: 3767-75 (2010)
Article DOI: 10.1016/j.bmc.2010.04.054
BindingDB Entry DOI: 10.7270/Q2J966JM |
More data for this
Ligand-Target Pair | |
Serpin H1
(Mus musculus) | BDBM50320847
(CHEMBL1163318)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 |r| 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
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.20E+3 | n/a | n/a | n/a | n/a | n/a | n/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 |
Bioorg Med Chem 18: 3767-75 (2010)
Article DOI: 10.1016/j.bmc.2010.04.054
BindingDB Entry DOI: 10.7270/Q2J966JM |
More data for this
Ligand-Target Pair | |
Serpin H1
(Mus musculus) | BDBM50320846
(CHEMBL1165392)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 |r| 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
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.20E+3 | n/a | n/a | n/a | n/a | n/a | n/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 |
Bioorg Med Chem 18: 3767-75 (2010)
Article DOI: 10.1016/j.bmc.2010.04.054
BindingDB Entry DOI: 10.7270/Q2J966JM |
More data for this
Ligand-Target Pair | |
Serpin H1
(Mus musculus) | BDBM50320848
(CHEMBL1163310)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 |r| 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
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.50E+3 | n/a | n/a | n/a | n/a | n/a | n/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 |
Bioorg Med Chem 18: 3767-75 (2010)
Article DOI: 10.1016/j.bmc.2010.04.054
BindingDB Entry DOI: 10.7270/Q2J966JM |
More data for this
Ligand-Target Pair | |
Serpin H1
(Mus musculus) | BDBM50320849
(CHEMBL1163311)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 |r| 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 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.60E+3 | n/a | n/a | n/a | n/a | n/a | n/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 |
Bioorg Med Chem 18: 3767-75 (2010)
Article DOI: 10.1016/j.bmc.2010.04.054
BindingDB Entry DOI: 10.7270/Q2J966JM |
More data for this
Ligand-Target Pair | |
Serpin H1
(Mus musculus) | BDBM50320850
(CHEMBL1163312)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 |r| 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 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 8.40E+3 | n/a | n/a | n/a | n/a | n/a | n/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 |
Bioorg Med Chem 18: 3767-75 (2010)
Article DOI: 10.1016/j.bmc.2010.04.054
BindingDB Entry DOI: 10.7270/Q2J966JM |
More data for this
Ligand-Target Pair | |
Serpin H1
(Mus musculus) | BDBM50320851
(CHEMBL1163314)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 |r| 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 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 9.10E+3 | n/a | n/a | n/a | n/a | n/a | n/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 |
Bioorg Med Chem 18: 3767-75 (2010)
Article DOI: 10.1016/j.bmc.2010.04.054
BindingDB Entry DOI: 10.7270/Q2J966JM |
More data for this
Ligand-Target Pair | |
Serpin H1
(Mus musculus) | BDBM50320852
(CHEMBL1163315)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 |r| 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 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 9.30E+3 | n/a | n/a | n/a | n/a | n/a | n/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 |
Bioorg Med Chem 18: 3767-75 (2010)
Article DOI: 10.1016/j.bmc.2010.04.054
BindingDB Entry DOI: 10.7270/Q2J966JM |
More data for this
Ligand-Target Pair | |
Serpin H1
(Mus musculus) | BDBM50320853
(CHEMBL2372618)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 |r| 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 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 9.50E+3 | n/a | n/a | n/a | n/a | n/a | n/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 |
Bioorg Med Chem 18: 3767-75 (2010)
Article DOI: 10.1016/j.bmc.2010.04.054
BindingDB Entry DOI: 10.7270/Q2J966JM |
More data for this
Ligand-Target Pair | |
Serpin H1
(Mus musculus) | BDBM50320870
(CHEMBL1163328)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 |r| 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 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 9.80E+3 | n/a | n/a | n/a | n/a | n/a | n/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 |
Bioorg Med Chem 18: 3767-75 (2010)
Article DOI: 10.1016/j.bmc.2010.04.054
BindingDB Entry DOI: 10.7270/Q2J966JM |
More data for this
Ligand-Target Pair | |
Serpin H1
(Mus musculus) | BDBM50320854
(CHEMBL1163308)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 |r| 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 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.10E+4 | n/a | n/a | n/a | n/a | n/a | n/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 |
Bioorg Med Chem 18: 3767-75 (2010)
Article DOI: 10.1016/j.bmc.2010.04.054
BindingDB Entry DOI: 10.7270/Q2J966JM |
More data for this
Ligand-Target Pair | |
Serpin H1
(Mus musculus) | BDBM50320873
(CHEMBL1163292)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 |r| 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 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.40E+4 | n/a | n/a | n/a | n/a | n/a | n/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 |
Bioorg Med Chem 18: 3767-75 (2010)
Article DOI: 10.1016/j.bmc.2010.04.054
BindingDB Entry DOI: 10.7270/Q2J966JM |
More data for this
Ligand-Target Pair | |
Serpin H1
(Mus musculus) | BDBM50320855
(CHEMBL1163316)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 |r| 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 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.80E+4 | n/a | n/a | n/a | n/a | n/a | n/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 |
Bioorg Med Chem 18: 3767-75 (2010)
Article DOI: 10.1016/j.bmc.2010.04.054
BindingDB Entry DOI: 10.7270/Q2J966JM |
More data for this
Ligand-Target Pair | |
Serpin H1
(Mus musculus) | BDBM50320856
(CHEMBL1165422)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 |r| 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 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.90E+4 | n/a | n/a | n/a | n/a | n/a | n/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 |
Bioorg Med Chem 18: 3767-75 (2010)
Article DOI: 10.1016/j.bmc.2010.04.054
BindingDB Entry DOI: 10.7270/Q2J966JM |
More data for this
Ligand-Target Pair | |
Serpin H1
(Mus musculus) | BDBM50320857
(CHEMBL1163702)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 |r| 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 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.30E+4 | n/a | n/a | n/a | n/a | n/a | n/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 |
Bioorg Med Chem 18: 3767-75 (2010)
Article DOI: 10.1016/j.bmc.2010.04.054
BindingDB Entry DOI: 10.7270/Q2J966JM |
More data for this
Ligand-Target Pair | |
Serpin H1
(Mus musculus) | BDBM50320858
(CHEMBL2372619)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 |r| 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 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.50E+4 | n/a | n/a | n/a | n/a | n/a | n/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 |
Bioorg Med Chem 18: 3767-75 (2010)
Article DOI: 10.1016/j.bmc.2010.04.054
BindingDB Entry DOI: 10.7270/Q2J966JM |
More data for this
Ligand-Target Pair | |
Serpin H1
(Mus musculus) | BDBM50320859
(CHEMBL1163309)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 |r| 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 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.70E+4 | n/a | n/a | n/a | n/a | n/a | n/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 |
Bioorg Med Chem 18: 3767-75 (2010)
Article DOI: 10.1016/j.bmc.2010.04.054
BindingDB Entry DOI: 10.7270/Q2J966JM |
More data for this
Ligand-Target Pair | |
Serpin H1
(Mus musculus) | BDBM50320860
(CHEMBL1163319)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 |r| 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 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.10E+4 | n/a | n/a | n/a | n/a | n/a | n/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 |
Bioorg Med Chem 18: 3767-75 (2010)
Article DOI: 10.1016/j.bmc.2010.04.054
BindingDB Entry DOI: 10.7270/Q2J966JM |
More data for this
Ligand-Target Pair | |
Serpin H1
(Mus musculus) | BDBM50320861
(CHEMBL1163320)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 |r| 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 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.30E+4 | n/a | n/a | n/a | n/a | n/a | n/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 |
Bioorg Med Chem 18: 3767-75 (2010)
Article DOI: 10.1016/j.bmc.2010.04.054
BindingDB Entry DOI: 10.7270/Q2J966JM |
More data for this
Ligand-Target Pair | |
Serpin H1
(Mus musculus) | BDBM50320862
(CHEMBL1163322)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 |r| 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 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6.40E+4 | n/a | n/a | n/a | n/a | n/a | n/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 |
Bioorg Med Chem 18: 3767-75 (2010)
Article DOI: 10.1016/j.bmc.2010.04.054
BindingDB Entry DOI: 10.7270/Q2J966JM |
More data for this
Ligand-Target Pair | |
Serpin H1
(Mus musculus) | BDBM50320863
(CHEMBL1163324)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 |r| 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 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7.90E+4 | n/a | n/a | n/a | n/a | n/a | n/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 |
Bioorg Med Chem 18: 3767-75 (2010)
Article DOI: 10.1016/j.bmc.2010.04.054
BindingDB Entry DOI: 10.7270/Q2J966JM |
More data for this
Ligand-Target Pair | |
Serpin H1
(Mus musculus) | BDBM50320864
(CHEMBL1163321)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 |r| 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 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 9.50E+4 | n/a | n/a | n/a | n/a | n/a | n/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 |
Bioorg Med Chem 18: 3767-75 (2010)
Article DOI: 10.1016/j.bmc.2010.04.054
BindingDB Entry DOI: 10.7270/Q2J966JM |
More data for this
Ligand-Target Pair | |
Serpin H1
(Mus musculus) | BDBM50320865
(CHEMBL1163323)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 |r| 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
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/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 |
Bioorg Med Chem 18: 3767-75 (2010)
Article DOI: 10.1016/j.bmc.2010.04.054
BindingDB Entry DOI: 10.7270/Q2J966JM |
More data for this
Ligand-Target Pair | |
Serpin H1
(Mus musculus) | BDBM50320866
(CHEMBL1163326)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 |r| 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 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/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 |
Bioorg Med Chem 18: 3767-75 (2010)
Article DOI: 10.1016/j.bmc.2010.04.054
BindingDB Entry DOI: 10.7270/Q2J966JM |
More data for this
Ligand-Target Pair | |
Serpin H1
(Mus musculus) | BDBM50320867
(CHEMBL1163334)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 |r| 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 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/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 |
Bioorg Med Chem 18: 3767-75 (2010)
Article DOI: 10.1016/j.bmc.2010.04.054
BindingDB Entry DOI: 10.7270/Q2J966JM |
More data for this
Ligand-Target Pair | |
Serpin H1
(Mus musculus) | BDBM50320868
(CHEMBL1163327)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 |r| 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 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/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 |
Bioorg Med Chem 18: 3767-75 (2010)
Article DOI: 10.1016/j.bmc.2010.04.054
BindingDB Entry DOI: 10.7270/Q2J966JM |
More data for this
Ligand-Target Pair | |
Serpin H1
(Mus musculus) | BDBM50320836
(CHEMBL1163306)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 |r| 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
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/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 |
Bioorg Med Chem 18: 3767-75 (2010)
Article DOI: 10.1016/j.bmc.2010.04.054
BindingDB Entry DOI: 10.7270/Q2J966JM |
More data for this
Ligand-Target Pair | |
Serpin H1
(Mus musculus) | BDBM50320835
(CHEMBL1163288)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 |r| 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 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/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 |
Bioorg Med Chem 18: 3767-75 (2010)
Article DOI: 10.1016/j.bmc.2010.04.054
BindingDB Entry DOI: 10.7270/Q2J966JM |
More data for this
Ligand-Target Pair | |
Serpin H1
(Mus musculus) | BDBM50320834
(CHEMBL1163297)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 |r| 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
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/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 |
Bioorg Med Chem 18: 3767-75 (2010)
Article DOI: 10.1016/j.bmc.2010.04.054
BindingDB Entry DOI: 10.7270/Q2J966JM |
More data for this
Ligand-Target Pair | |
Serpin H1
(Mus musculus) | BDBM50320833
(CHEMBL1163296)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 |r| 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
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/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 |
Bioorg Med Chem 18: 3767-75 (2010)
Article DOI: 10.1016/j.bmc.2010.04.054
BindingDB Entry DOI: 10.7270/Q2J966JM |
More data for this
Ligand-Target Pair | |
Serpin H1
(Mus musculus) | BDBM50320874
(CHEMBL1163293)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 |r| 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
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/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 |
Bioorg Med Chem 18: 3767-75 (2010)
Article DOI: 10.1016/j.bmc.2010.04.054
BindingDB Entry DOI: 10.7270/Q2J966JM |
More data for this
Ligand-Target Pair | |
Serpin H1
(Mus musculus) | BDBM50320869
(CHEMBL1164325)Show SMILES [#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6@@H](-[#8])-[#6]-[#7]-1-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1 |r| 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
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/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 |
Bioorg Med Chem 18: 3767-75 (2010)
Article DOI: 10.1016/j.bmc.2010.04.054
BindingDB Entry DOI: 10.7270/Q2J966JM |
More data for this
Ligand-Target Pair | |
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