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Compile Data Set for Download or QSAR

Found 3 hits of ic50 for monomerid = 50284011   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
EDNRB


(RAT)
BDBM50284011
PNG
(CHEMBL438768 | Trp-Ile-Ile-Asp-Leu-Hisc(Cys-Ser-As...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H]1CSSC[C@H](N)C(=O)N[C@@H](CO)C(=O)N[C@H](CC(O)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N1)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C86H121N19O24S2/c1-9-45(7)70(84(126)100-63(86(128)129)33-49-37-90-54-21-15-14-20-52(49)54)105-85(127)71(46(8)10-2)104-80(122)62(36-68(112)113)97-75(117)57(30-43(3)4)94-78(120)60(34-50-38-89-42-91-50)96-82(124)65-41-131-130-40-53(88)72(114)101-64(39-106)81(123)98-61(35-67(110)111)79(121)92-55(22-16-17-29-87)73(115)93-56(27-28-66(108)109)74(116)103-69(44(5)6)83(125)99-59(32-48-23-25-51(107)26-24-48)76(118)95-58(77(119)102-65)31-47-18-12-11-13-19-47/h11-15,18-21,23-26,37-38,42-46,53,55-65,69-71,90,106-107H,9-10,16-17,22,27-36,39-41,87-88H2,1-8H3,(H,89,91)(H,92,121)(H,93,115)(H,94,120)(H,95,118)(H,96,124)(H,97,117)(H,98,123)(H,99,125)(H,100,126)(H,101,114)(H,102,119)(H,103,116)(H,104,122)(H,105,127)(H,108,109)(H,110,111)(H,112,113)(H,128,129)/t45-,46-,53-,55-,56+,57-,58-,59+,60-,61+,62-,63-,64-,65+,69-,70-,71-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

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



TBA

Curated by ChEMBL


Assay Description
Binding affinity against Endothelin B receptor in rat cerebellar membrane (ET-B) from adult blue laurie rat


Bioorg Med Chem Lett 4: 567-572 (1994)


Article DOI: 10.1016/S0960-894X(01)80156-6
BindingDB Entry DOI: 10.7270/Q2TT4QW6
More data for this
Ligand-Target Pair
EDNRA


(RAT)
BDBM50284011
PNG
(CHEMBL438768 | Trp-Ile-Ile-Asp-Leu-Hisc(Cys-Ser-As...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H]1CSSC[C@H](N)C(=O)N[C@@H](CO)C(=O)N[C@H](CC(O)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N1)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C86H121N19O24S2/c1-9-45(7)70(84(126)100-63(86(128)129)33-49-37-90-54-21-15-14-20-52(49)54)105-85(127)71(46(8)10-2)104-80(122)62(36-68(112)113)97-75(117)57(30-43(3)4)94-78(120)60(34-50-38-89-42-91-50)96-82(124)65-41-131-130-40-53(88)72(114)101-64(39-106)81(123)98-61(35-67(110)111)79(121)92-55(22-16-17-29-87)73(115)93-56(27-28-66(108)109)74(116)103-69(44(5)6)83(125)99-59(32-48-23-25-51(107)26-24-48)76(118)95-58(77(119)102-65)31-47-18-12-11-13-19-47/h11-15,18-21,23-26,37-38,42-46,53,55-65,69-71,90,106-107H,9-10,16-17,22,27-36,39-41,87-88H2,1-8H3,(H,89,91)(H,92,121)(H,93,115)(H,94,120)(H,95,118)(H,96,124)(H,97,117)(H,98,123)(H,99,125)(H,100,126)(H,101,114)(H,102,119)(H,103,116)(H,104,122)(H,105,127)(H,108,109)(H,110,111)(H,112,113)(H,128,129)/t45-,46-,53-,55-,56+,57-,58-,59+,60-,61+,62-,63-,64-,65+,69-,70-,71-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
n/an/a 3.50E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro binding affinity against Endothelin A receptor by using endothelin (ET-1) as radioligand in rat heart ventricle


Bioorg Med Chem Lett 4: 567-572 (1994)


Article DOI: 10.1016/S0960-894X(01)80156-6
BindingDB Entry DOI: 10.7270/Q2TT4QW6
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))
BDBM50284011
PNG
(CHEMBL438768 | Trp-Ile-Ile-Asp-Leu-Hisc(Cys-Ser-As...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H]1CSSC[C@H](N)C(=O)N[C@@H](CO)C(=O)N[C@H](CC(O)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N1)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C86H121N19O24S2/c1-9-45(7)70(84(126)100-63(86(128)129)33-49-37-90-54-21-15-14-20-52(49)54)105-85(127)71(46(8)10-2)104-80(122)62(36-68(112)113)97-75(117)57(30-43(3)4)94-78(120)60(34-50-38-89-42-91-50)96-82(124)65-41-131-130-40-53(88)72(114)101-64(39-106)81(123)98-61(35-67(110)111)79(121)92-55(22-16-17-29-87)73(115)93-56(27-28-66(108)109)74(116)103-69(44(5)6)83(125)99-59(32-48-23-25-51(107)26-24-48)76(118)95-58(77(119)102-65)31-47-18-12-11-13-19-47/h11-15,18-21,23-26,37-38,42-46,53,55-65,69-71,90,106-107H,9-10,16-17,22,27-36,39-41,87-88H2,1-8H3,(H,89,91)(H,92,121)(H,93,115)(H,94,120)(H,95,118)(H,96,124)(H,97,117)(H,98,123)(H,99,125)(H,100,126)(H,101,114)(H,102,119)(H,103,116)(H,104,122)(H,105,127)(H,108,109)(H,110,111)(H,112,113)(H,128,129)/t45-,46-,53-,55-,56+,57-,58-,59+,60-,61+,62-,63-,64-,65+,69-,70-,71-/m0/s1
UniProtKB/SwissProt

antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
n/an/a 7.10E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against Endothelin A receptor in rabbit renal artery vascular smooth muscle membrane (ET-A)


Bioorg Med Chem Lett 4: 567-572 (1994)


Article DOI: 10.1016/S0960-894X(01)80156-6
BindingDB Entry DOI: 10.7270/Q2TT4QW6
More data for this
Ligand-Target Pair