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31 similar compounds to monomer 50006117

Compile data set for download or QSAR
Wt: 471.5
BDBM17344
Wt: 537.6
BDBM50002572
Wt: 537.6
BDBM50002567
Wt: 332.3
BDBM50001946
Purchase
Wt: 496.5
BDBM50017745
Wt: 937.1
BDBM50032205
Wt: 956.1
BDBM50032180
Wt: 880.0
BDBM50032198
Wt: 880.0
BDBM50032202
Wt: 303.3
BDBM50038066
Purchase
Wt: 506.5
BDBM50045258
Wt: 861.0
BDBM50045260
Wt: 880.0
BDBM50045240
Wt: 956.1
BDBM50045224
Wt: 619.7
BDBM50045247
Displayed 1 to 15 (of 31 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 47 hits for monomerid = 17344,50002572,50002567,50001946,50017745,50032205,50032180,50032198,50032202,50038066,50045258,50045260,50045240,50045224,50045247   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
cIAP1-BIR3


(Homo sapiens (Human))
BDBM17344
PNG
((2S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-aminopropanamido]-...)
Show SMILES CC(C)[C@H](NC(=O)[C@H](C)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C24H33N5O5/c1-13(2)20(28-21(30)14(3)25)23(32)29-10-6-9-19(29)22(31)27-18(24(33)34)11-15-12-26-17-8-5-4-7-16(15)17/h4-5,7-8,12-14,18-20,26H,6,9-11,25H2,1-3H3,(H,27,31)(H,28,30)(H,33,34)/t14-,18-,19-,20-/m0/s1
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30 -10.2n/an/an/an/an/a7.222



Genentech



Assay Description
Samples for fluorescence polarization affinity measurements were prepared by addition of serial dilutions of target protein to each well containing a...


ACS Chem Biol 1: 525-33 (2006)


Article DOI: 10.1021/cb600276q
BindingDB Entry DOI: 10.7270/Q2G15Z34
More data for this
Ligand-Target Pair
ML-IAP-BIR


(Homo sapiens (Human))
BDBM17344
PNG
((2S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-aminopropanamido]-...)
Show SMILES CC(C)[C@H](NC(=O)[C@H](C)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C24H33N5O5/c1-13(2)20(28-21(30)14(3)25)23(32)29-10-6-9-19(29)22(31)27-18(24(33)34)11-15-12-26-17-8-5-4-7-16(15)17/h4-5,7-8,12-14,18-20,26H,6,9-11,25H2,1-3H3,(H,27,31)(H,28,30)(H,33,34)/t14-,18-,19-,20-/m0/s1
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40 -9.98n/an/an/an/an/a7.222



Genentech



Assay Description
Samples for fluorescence polarization affinity measurements were prepared by addition of serial dilutions of target protein to each well containing a...


ACS Chem Biol 1: 525-33 (2006)


Article DOI: 10.1021/cb600276q
BindingDB Entry DOI: 10.7270/Q2G15Z34
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
XIAP-BIR3


(Homo sapiens (Human))
BDBM17344
PNG
((2S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-aminopropanamido]-...)
Show SMILES CC(C)[C@H](NC(=O)[C@H](C)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C24H33N5O5/c1-13(2)20(28-21(30)14(3)25)23(32)29-10-6-9-19(29)22(31)27-18(24(33)34)11-15-12-26-17-8-5-4-7-16(15)17/h4-5,7-8,12-14,18-20,26H,6,9-11,25H2,1-3H3,(H,27,31)(H,28,30)(H,33,34)/t14-,18-,19-,20-/m0/s1
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50 -9.85n/an/an/an/an/a7.222



Genentech



Assay Description
Samples for fluorescence polarization affinity measurements were prepared by addition of serial dilutions of target protein to each well containing a...


ACS Chem Biol 1: 525-33 (2006)


Article DOI: 10.1021/cb600276q
BindingDB Entry DOI: 10.7270/Q2G15Z34
More data for this
Ligand-Target Pair
cIAP2-BIR3


(Homo sapiens (Human))
BDBM17344
PNG
((2S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-aminopropanamido]-...)
Show SMILES CC(C)[C@H](NC(=O)[C@H](C)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C24H33N5O5/c1-13(2)20(28-21(30)14(3)25)23(32)29-10-6-9-19(29)22(31)27-18(24(33)34)11-15-12-26-17-8-5-4-7-16(15)17/h4-5,7-8,12-14,18-20,26H,6,9-11,25H2,1-3H3,(H,27,31)(H,28,30)(H,33,34)/t14-,18-,19-,20-/m0/s1
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70 -9.66n/an/an/an/an/a7.222



Genentech



Assay Description
Samples for fluorescence polarization affinity measurements were prepared by addition of serial dilutions of target protein to each well containing a...


ACS Chem Biol 1: 525-33 (2006)


Article DOI: 10.1021/cb600276q
BindingDB Entry DOI: 10.7270/Q2G15Z34
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))
BDBM50032205
PNG
((S)-2-[(2S,3S)-2-((2S,3S)-2-{2-[(S)-2-((S)-2-Acety...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](NC(C)=O)C(c1ccccc1)c1ccccc1)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C52H72N8O8/c1-8-32(5)44(49(64)58-42(52(67)68)29-37-30-54-39-25-17-16-24-38(37)39)60-50(65)45(33(6)9-2)59-47(62)40(26-18-19-27-53)56-48(63)41(28-31(3)4)57-51(66)46(55-34(7)61)43(35-20-12-10-13-21-35)36-22-14-11-15-23-36/h10-17,20-25,30-33,40-46,54H,8-9,18-19,26-29,53H2,1-7H3,(H,55,61)(H,56,63)(H,57,66)(H,58,64)(H,59,62)(H,60,65)(H,67,68)/t32-,33-,40-,41-,42-,44-,45-,46+/m0/s1
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n/an/a 480n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity against endothelin A receptor from rabbit renal vascular smooth muscles


J Med Chem 38: 2809-19 (1995)


Article DOI: 10.1021/jm00015a003
BindingDB Entry DOI: 10.7270/Q2KD1WZQ
More data for this
Ligand-Target Pair
EDNRB


(RAT)
BDBM50032180
PNG
((S)-2-[(2S,3S)-2-((2S,3S)-2-{(S)-2-[(S)-2-((S)-2-A...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(C)=O)C(c1ccccc1)c1ccccc1)[C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C55H69N7O8/c1-8-34(5)47(52(66)60-45(55(69)70)31-40-32-56-42-28-20-19-27-41(40)42)62-53(67)48(35(6)9-2)61-51(65)44(30-37-21-13-10-14-22-37)58-50(64)43(29-33(3)4)59-54(68)49(57-36(7)63)46(38-23-15-11-16-24-38)39-25-17-12-18-26-39/h10-28,32-35,43-49,56H,8-9,29-31H2,1-7H3,(H,57,63)(H,58,64)(H,59,68)(H,60,66)(H,61,65)(H,62,67)(H,69,70)/t34-,35-,43-,44-,45-,47-,48-,49-/m0/s1
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n/an/a 33n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity against endothelin B receptor rat cerebellar membranes.


J Med Chem 38: 2809-19 (1995)


Article DOI: 10.1021/jm00015a003
BindingDB Entry DOI: 10.7270/Q2KD1WZQ
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))
BDBM50032198
PNG
((S)-2-[(2S,3S)-2-((2S,3S)-2-{(S)-2-[(S)-2-((S)-2-A...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(C)=O)[C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C49H65N7O8/c1-8-30(5)42(47(61)54-41(49(63)64)27-35-28-50-37-23-17-16-22-36(35)37)56-48(62)43(31(6)9-2)55-46(60)40(26-34-20-14-11-15-21-34)53-44(58)38(24-29(3)4)52-45(59)39(51-32(7)57)25-33-18-12-10-13-19-33/h10-23,28-31,38-43,50H,8-9,24-27H2,1-7H3,(H,51,57)(H,52,59)(H,53,58)(H,54,61)(H,55,60)(H,56,62)(H,63,64)/t30-,31-,38-,39-,40-,41-,42-,43-/m0/s1
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n/an/a 36n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity against endothelin A receptor from rabbit renal vascular smooth muscles


J Med Chem 38: 2809-19 (1995)


Article DOI: 10.1021/jm00015a003
BindingDB Entry DOI: 10.7270/Q2KD1WZQ
More data for this
Ligand-Target Pair
EDNRB


(RAT)
BDBM50032205
PNG
((S)-2-[(2S,3S)-2-((2S,3S)-2-{2-[(S)-2-((S)-2-Acety...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](NC(C)=O)C(c1ccccc1)c1ccccc1)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C52H72N8O8/c1-8-32(5)44(49(64)58-42(52(67)68)29-37-30-54-39-25-17-16-24-38(37)39)60-50(65)45(33(6)9-2)59-47(62)40(26-18-19-27-53)56-48(63)41(28-31(3)4)57-51(66)46(55-34(7)61)43(35-20-12-10-13-21-35)36-22-14-11-15-23-36/h10-17,20-25,30-33,40-46,54H,8-9,18-19,26-29,53H2,1-7H3,(H,55,61)(H,56,63)(H,57,66)(H,58,64)(H,59,62)(H,60,65)(H,67,68)/t32-,33-,40-,41-,42-,44-,45-,46+/m0/s1
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n/an/a 33n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity against endothelin B receptor rat cerebellar membranes.


J Med Chem 38: 2809-19 (1995)


Article DOI: 10.1021/jm00015a003
BindingDB Entry DOI: 10.7270/Q2KD1WZQ
More data for this
Ligand-Target Pair
EDNRB


(RAT)
BDBM50032202
PNG
((S)-2-[(2S,3S)-2-((2S,3S)-2-{(S)-2-[(S)-2-((S)-2-A...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(C)=O)C(c1ccccc1)c1ccccc1)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C49H65N7O8/c1-9-29(5)41(46(60)54-39(49(63)64)26-35-27-50-37-24-18-17-23-36(35)37)56-47(61)42(30(6)10-2)55-44(58)31(7)51-45(59)38(25-28(3)4)53-48(62)43(52-32(8)57)40(33-19-13-11-14-20-33)34-21-15-12-16-22-34/h11-24,27-31,38-43,50H,9-10,25-26H2,1-8H3,(H,51,59)(H,52,57)(H,53,62)(H,54,60)(H,55,58)(H,56,61)(H,63,64)/t29-,30-,31-,38-,39-,41-,42-,43-/m0/s1
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n/an/a 16n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity against endothelin B receptor rat cerebellar membranes.


J Med Chem 38: 2809-19 (1995)


Article DOI: 10.1021/jm00015a003
BindingDB Entry DOI: 10.7270/Q2KD1WZQ
More data for this
Ligand-Target Pair
EDNRB


(Homo sapiens (Human))
BDBM50032198
PNG
((S)-2-[(2S,3S)-2-((2S,3S)-2-{(S)-2-[(S)-2-((S)-2-A...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(C)=O)[C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C49H65N7O8/c1-8-30(5)42(47(61)54-41(49(63)64)27-35-28-50-37-23-17-16-22-36(35)37)56-48(62)43(31(6)9-2)55-46(60)40(26-34-20-14-11-15-21-34)53-44(58)38(24-29(3)4)52-45(59)39(51-32(7)57)25-33-18-12-10-13-19-33/h10-23,28-31,38-43,50H,8-9,24-27H2,1-7H3,(H,51,57)(H,52,59)(H,53,58)(H,54,61)(H,55,60)(H,56,62)(H,63,64)/t30-,31-,38-,39-,40-,41-,42-,43-/m0/s1
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n/an/a 37n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity measured in CHO cells stably transfected with the human endothelin B receptor


J Med Chem 38: 2809-19 (1995)


Article DOI: 10.1021/jm00015a003
BindingDB Entry DOI: 10.7270/Q2KD1WZQ
More data for this
Ligand-Target Pair
EDNRB


(Homo sapiens (Human))
BDBM50032205
PNG
((S)-2-[(2S,3S)-2-((2S,3S)-2-{2-[(S)-2-((S)-2-Acety...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](NC(C)=O)C(c1ccccc1)c1ccccc1)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C52H72N8O8/c1-8-32(5)44(49(64)58-42(52(67)68)29-37-30-54-39-25-17-16-24-38(37)39)60-50(65)45(33(6)9-2)59-47(62)40(26-18-19-27-53)56-48(63)41(28-31(3)4)57-51(66)46(55-34(7)61)43(35-20-12-10-13-21-35)36-22-14-11-15-23-36/h10-17,20-25,30-33,40-46,54H,8-9,18-19,26-29,53H2,1-7H3,(H,55,61)(H,56,63)(H,57,66)(H,58,64)(H,59,62)(H,60,65)(H,67,68)/t32-,33-,40-,41-,42-,44-,45-,46+/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity measured in CHO cells stably transfected with the human endothelin B receptor


J Med Chem 38: 2809-19 (1995)


Article DOI: 10.1021/jm00015a003
BindingDB Entry DOI: 10.7270/Q2KD1WZQ
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))
BDBM50032202
PNG
((S)-2-[(2S,3S)-2-((2S,3S)-2-{(S)-2-[(S)-2-((S)-2-A...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(C)=O)C(c1ccccc1)c1ccccc1)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C49H65N7O8/c1-9-29(5)41(46(60)54-39(49(63)64)26-35-27-50-37-24-18-17-23-36(35)37)56-47(61)42(30(6)10-2)55-44(58)31(7)51-45(59)38(25-28(3)4)53-48(62)43(52-32(8)57)40(33-19-13-11-14-20-33)34-21-15-12-16-22-34/h11-24,27-31,38-43,50H,9-10,25-26H2,1-8H3,(H,51,59)(H,52,57)(H,53,62)(H,54,60)(H,55,58)(H,56,61)(H,63,64)/t29-,30-,31-,38-,39-,41-,42-,43-/m0/s1
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n/an/a 70n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibition of ET-1 stimulated arachidonic acid release in rabbit renal vascular smooth muscle cells


J Med Chem 38: 2809-19 (1995)


Article DOI: 10.1021/jm00015a003
BindingDB Entry DOI: 10.7270/Q2KD1WZQ
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))
BDBM50032205
PNG
((S)-2-[(2S,3S)-2-((2S,3S)-2-{2-[(S)-2-((S)-2-Acety...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](NC(C)=O)C(c1ccccc1)c1ccccc1)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C52H72N8O8/c1-8-32(5)44(49(64)58-42(52(67)68)29-37-30-54-39-25-17-16-24-38(37)39)60-50(65)45(33(6)9-2)59-47(62)40(26-18-19-27-53)56-48(63)41(28-31(3)4)57-51(66)46(55-34(7)61)43(35-20-12-10-13-21-35)36-22-14-11-15-23-36/h10-17,20-25,30-33,40-46,54H,8-9,18-19,26-29,53H2,1-7H3,(H,55,61)(H,56,63)(H,57,66)(H,58,64)(H,59,62)(H,60,65)(H,67,68)/t32-,33-,40-,41-,42-,44-,45-,46+/m0/s1
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n/an/a 480n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity against endothelin A receptor from rabbit renal vascular smooth muscles


J Med Chem 38: 2809-19 (1995)


Article DOI: 10.1021/jm00015a003
BindingDB Entry DOI: 10.7270/Q2KD1WZQ
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))
BDBM50032180
PNG
((S)-2-[(2S,3S)-2-((2S,3S)-2-{(S)-2-[(S)-2-((S)-2-A...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(C)=O)C(c1ccccc1)c1ccccc1)[C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C55H69N7O8/c1-8-34(5)47(52(66)60-45(55(69)70)31-40-32-56-42-28-20-19-27-41(40)42)62-53(67)48(35(6)9-2)61-51(65)44(30-37-21-13-10-14-22-37)58-50(64)43(29-33(3)4)59-54(68)49(57-36(7)63)46(38-23-15-11-16-24-38)39-25-17-12-18-26-39/h10-28,32-35,43-49,56H,8-9,29-31H2,1-7H3,(H,57,63)(H,58,64)(H,59,68)(H,60,66)(H,61,65)(H,62,67)(H,69,70)/t34-,35-,43-,44-,45-,47-,48-,49-/m0/s1
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n/an/a 580n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity against endothelin A receptor from rabbit renal vascular smooth muscles


J Med Chem 38: 2809-19 (1995)


Article DOI: 10.1021/jm00015a003
BindingDB Entry DOI: 10.7270/Q2KD1WZQ
More data for this
Ligand-Target Pair
EDNRB


(Homo sapiens (Human))
BDBM50032180
PNG
((S)-2-[(2S,3S)-2-((2S,3S)-2-{(S)-2-[(S)-2-((S)-2-A...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(C)=O)C(c1ccccc1)c1ccccc1)[C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C55H69N7O8/c1-8-34(5)47(52(66)60-45(55(69)70)31-40-32-56-42-28-20-19-27-41(40)42)62-53(67)48(35(6)9-2)61-51(65)44(30-37-21-13-10-14-22-37)58-50(64)43(29-33(3)4)59-54(68)49(57-36(7)63)46(38-23-15-11-16-24-38)39-25-17-12-18-26-39/h10-28,32-35,43-49,56H,8-9,29-31H2,1-7H3,(H,57,63)(H,58,64)(H,59,68)(H,60,66)(H,61,65)(H,62,67)(H,69,70)/t34-,35-,43-,44-,45-,47-,48-,49-/m0/s1
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n/an/a>1.60E+3n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity measured in CHO cells stably transfected with the human endothelin B receptor


J Med Chem 38: 2809-19 (1995)


Article DOI: 10.1021/jm00015a003
BindingDB Entry DOI: 10.7270/Q2KD1WZQ
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Homo sapiens (Human))
BDBM50038066
PNG
((S)-2-((S)-2-Amino-3-methyl-butyrylamino)-3-(1H-in...)
Show SMILES CC(C)[C@H](N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C16H21N3O3/c1-9(2)14(17)15(20)19-13(16(21)22)7-10-8-18-12-6-4-3-5-11(10)12/h3-6,8-9,13-14,18H,7,17H2,1-2H3,(H,19,20)(H,21,22)/t13-,14-/m0/s1
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n/an/a 1.70E+3n/an/an/an/an/an/a



Proteus Molecular Design Ltd.

Curated by ChEMBL


Assay Description
Inhibition against ACE.


J Med Chem 37: 3994-4002 (1994)


Article DOI: 10.1021/jm00049a019
BindingDB Entry DOI: 10.7270/Q2XW4HWB
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Homo sapiens (Human))
BDBM50038066
PNG
((S)-2-((S)-2-Amino-3-methyl-butyrylamino)-3-(1H-in...)
Show SMILES CC(C)[C@H](N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C16H21N3O3/c1-9(2)14(17)15(20)19-13(16(21)22)7-10-8-18-12-6-4-3-5-11(10)12/h3-6,8-9,13-14,18H,7,17H2,1-2H3,(H,19,20)(H,21,22)/t13-,14-/m0/s1
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n/an/a 1.58E+9n/an/an/an/an/an/a



Tianjin University

Curated by ChEMBL


Assay Description
Inhibition of ACE (unknown origin)


Eur J Med Chem 84: 100-6 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.015
BindingDB Entry DOI: 10.7270/Q29025F2
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))
BDBM50045240
PNG
((S)-2-[(S)-2-((2S,5S)-2-{(S)-2-[(S)-2-((R)-2-Acety...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1ccccc1)NC(C)=O)[C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C49H65N7O8/c1-8-30(5)42(47(61)54-41(49(63)64)27-35-28-50-37-23-17-16-22-36(35)37)56-48(62)43(31(6)9-2)55-46(60)40(26-34-20-14-11-15-21-34)53-44(58)38(24-29(3)4)52-45(59)39(51-32(7)57)25-33-18-12-10-13-19-33/h10-23,28-31,38-43,50H,8-9,24-27H2,1-7H3,(H,51,57)(H,52,59)(H,53,58)(H,54,61)(H,55,60)(H,56,62)(H,63,64)/t30-,31-,38-,39+,40-,41-,42-,43-/m0/s1
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n/an/a 1.18E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [125I]-ET-1 from Endothelin A receptor of rabbit renal artery vascular smooth muscle cells


Bioorg Med Chem Lett 3: 497-502 (1993)


Article DOI: 10.1016/S0960-894X(01)81215-4
BindingDB Entry DOI: 10.7270/Q2M908MP
More data for this
Ligand-Target Pair
EDNRB


(RAT)
BDBM50045247
PNG
(3-((R)-2-Acetylamino-3-phenyl-propionylamino)-N-{(...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(C)=O)[C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C34H45N5O6/c1-6-20(3)29(32(42)37-28(34(44)45)18-24-19-35-26-16-12-11-15-25(24)26)39-33(43)30(21(4)7-2)38-31(41)27(36-22(5)40)17-23-13-9-8-10-14-23/h8-16,19-21,27-30,35H,6-7,17-18H2,1-5H3,(H,36,40)(H,37,42)(H,38,41)(H,39,43)(H,44,45)/t20-,21-,27+,28-,29-,30-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [125I]-ET-1 from Endothelin B receptor of rat cerebellum


Bioorg Med Chem Lett 3: 497-502 (1993)


Article DOI: 10.1016/S0960-894X(01)81215-4
BindingDB Entry DOI: 10.7270/Q2M908MP
More data for this
Ligand-Target Pair
Endothelin receptor


(RAT)
BDBM50045260
PNG
(Ac-D-Phe-Leu-Lys-Ile-Ile-Trp | CHEMBL431218)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1ccccc1)NC(C)=O)[C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C46H68N8O8/c1-8-28(5)39(44(59)52-38(46(61)62)25-32-26-48-34-20-14-13-19-33(32)34)54-45(60)40(29(6)9-2)53-41(56)35(21-15-16-22-47)50-42(57)36(23-27(3)4)51-43(58)37(49-30(7)55)24-31-17-11-10-12-18-31/h10-14,17-20,26-29,35-40,48H,8-9,15-16,21-25,47H2,1-7H3,(H,49,55)(H,50,57)(H,51,58)(H,52,59)(H,53,56)(H,54,60)(H,61,62)/t28-,29-,35-,36-,37+,38-,39-,40-/m0/s1
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n/an/a 1.20E+4n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity against Endothelin receptor from rat heart ventricle


J Med Chem 36: 2585-94 (1993)


Article DOI: 10.1021/jm00070a001
BindingDB Entry DOI: 10.7270/Q2V69K6K
More data for this
Ligand-Target Pair
EDNRB


(RAT)
BDBM50045258
PNG
((S)-2-[(S)-2-((R)-2-Acetylamino-3-phenyl-propionyl...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](Cc1ccccc1)NC(C)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C28H34N4O5/c1-4-17(2)25(32-26(34)23(30-18(3)33)14-19-10-6-5-7-11-19)27(35)31-24(28(36)37)15-20-16-29-22-13-9-8-12-21(20)22/h5-13,16-17,23-25,29H,4,14-15H2,1-3H3,(H,30,33)(H,31,35)(H,32,34)(H,36,37)/t17-,23+,24-,25-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [125I]-ET-1 from Endothelin B receptor of rat cerebellum


Bioorg Med Chem Lett 3: 497-502 (1993)


Article DOI: 10.1016/S0960-894X(01)81215-4
BindingDB Entry DOI: 10.7270/Q2M908MP
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))
BDBM50045258
PNG
((S)-2-[(S)-2-((R)-2-Acetylamino-3-phenyl-propionyl...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](Cc1ccccc1)NC(C)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C28H34N4O5/c1-4-17(2)25(32-26(34)23(30-18(3)33)14-19-10-6-5-7-11-19)27(35)31-24(28(36)37)15-20-16-29-22-13-9-8-12-21(20)22/h5-13,16-17,23-25,29H,4,14-15H2,1-3H3,(H,30,33)(H,31,35)(H,32,34)(H,36,37)/t17-,23+,24-,25-/m0/s1
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n/an/a 8.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [125I]-ET-1 from Endothelin A receptor of rabbit renal artery vascular smooth muscle cells


Bioorg Med Chem Lett 3: 497-502 (1993)


Article DOI: 10.1016/S0960-894X(01)81215-4
BindingDB Entry DOI: 10.7270/Q2M908MP
More data for this
Ligand-Target Pair
EDNRB


(RAT)
BDBM50045240
PNG
((S)-2-[(S)-2-((2S,5S)-2-{(S)-2-[(S)-2-((R)-2-Acety...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1ccccc1)NC(C)=O)[C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C49H65N7O8/c1-8-30(5)42(47(61)54-41(49(63)64)27-35-28-50-37-23-17-16-22-36(35)37)56-48(62)43(31(6)9-2)55-46(60)40(26-34-20-14-11-15-21-34)53-44(58)38(24-29(3)4)52-45(59)39(51-32(7)57)25-33-18-12-10-13-19-33/h10-23,28-31,38-43,50H,8-9,24-27H2,1-7H3,(H,51,57)(H,52,59)(H,53,58)(H,54,61)(H,55,60)(H,56,62)(H,63,64)/t30-,31-,38-,39+,40-,41-,42-,43-/m0/s1
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n/an/a 35n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [125I]-ET-1 from Endothelin B receptor of rat cerebellum


Bioorg Med Chem Lett 3: 497-502 (1993)


Article DOI: 10.1016/S0960-894X(01)81215-4
BindingDB Entry DOI: 10.7270/Q2M908MP
More data for this
Ligand-Target Pair
Neutral Endopeptidase (NEP)


(Rattus norvegicus (Rat))
BDBM50017745
PNG
(CHEMBL421724 | disodium 2-benzyl-4-[1-carboxylato-...)
Show SMILES [O-]C(=O)[C@@H](C[C@@H](Cc1ccccc1)C(=O)NC(Cc1c[nH]c2ccccc12)C([O-])=O)Cc1ccccc1
Show InChI InChI=1S/C30H30N2O5/c33-28(32-27(30(36)37)18-24-19-31-26-14-8-7-13-25(24)26)22(15-20-9-3-1-4-10-20)17-23(29(34)35)16-21-11-5-2-6-12-21/h1-14,19,22-23,27,31H,15-18H2,(H,32,33)(H,34,35)(H,36,37)/p-2/t22-,23-,27?/m1/s1
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n/an/a 74n/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Inhibition of enkephalinase activity in synaptic membranes prepared from rat striatum


J Med Chem 32: 2519-26 (1989)


Article DOI: 10.1021/jm00132a005
BindingDB Entry DOI: 10.7270/Q2668DSV
More data for this
Ligand-Target Pair
Aminopeptidase B


(Rattus norvegicus)
BDBM50001946
PNG
(2-(6-Amino-2-aminomethyl-hexanoylamino)-3-(1H-indo...)
Show SMILES NCCCC[C@H](N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C17H24N4O3/c18-8-4-3-6-13(19)16(22)21-15(17(23)24)9-11-10-20-14-7-2-1-5-12(11)14/h1-2,5,7,10,13,15,20H,3-4,6,8-9,18-19H2,(H,21,22)(H,23,24)/t13-,15-/m0/s1
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n/an/a>1.00E+6n/an/an/an/an/an/a



Instituto de Qu£mica M£dica

Curated by ChEMBL


Assay Description
Compound was evaluated for its inhibitory potency against purified membrane bound rat brain Aminopeptidase B (AP-B) using L-lysine-beta napthylamide ...


J Med Chem 35: 889-95 (1992)


Article DOI: 10.1021/jm00083a013
BindingDB Entry DOI: 10.7270/Q2X92BWN
More data for this
Ligand-Target Pair
Aminopeptidase N


(Rattus norvegicus)
BDBM50001946
PNG
(2-(6-Amino-2-aminomethyl-hexanoylamino)-3-(1H-indo...)
Show SMILES NCCCC[C@H](N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C17H24N4O3/c18-8-4-3-6-13(19)16(22)21-15(17(23)24)9-11-10-20-14-7-2-1-5-12(11)14/h1-2,5,7,10,13,15,20H,3-4,6,8-9,18-19H2,(H,21,22)(H,23,24)/t13-,15-/m0/s1
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n/an/a>1.00E+6n/an/an/an/an/an/a



Instituto de Qu£mica M£dica

Curated by ChEMBL


Assay Description
Compound was evaluated for its inhibitory potency against purified membrane bound rat brain Aminopeptidase M (AP-M) using [3H]Leu-enkephalin as subst...


J Med Chem 35: 889-95 (1992)


Article DOI: 10.1021/jm00083a013
BindingDB Entry DOI: 10.7270/Q2X92BWN
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))
BDBM50045224
PNG
(Ac-D-Dip-Leu-Phe-Ile-Ile-Trp | CHEMBL387200)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](NC(C)=O)C(c1ccccc1)c1ccccc1)[C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C55H69N7O8/c1-8-34(5)47(52(66)60-45(55(69)70)31-40-32-56-42-28-20-19-27-41(40)42)62-53(67)48(35(6)9-2)61-51(65)44(30-37-21-13-10-14-22-37)58-50(64)43(29-33(3)4)59-54(68)49(57-36(7)63)46(38-23-15-11-16-24-38)39-25-17-12-18-26-39/h10-28,32-35,43-49,56H,8-9,29-31H2,1-7H3,(H,57,63)(H,58,64)(H,59,68)(H,60,66)(H,61,65)(H,62,67)(H,69,70)/t34-,35-,43-,44-,45-,47-,48-,49+/m0/s1
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n/an/an/an/a 580n/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Effective concentration against ET A receptor from rabbit renal artery vascular smooth muscle cells


J Med Chem 36: 2585-94 (1993)


Article DOI: 10.1021/jm00070a001
BindingDB Entry DOI: 10.7270/Q2V69K6K
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))
BDBM50045247
PNG
(3-((R)-2-Acetylamino-3-phenyl-propionylamino)-N-{(...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(C)=O)[C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C34H45N5O6/c1-6-20(3)29(32(42)37-28(34(44)45)18-24-19-35-26-16-12-11-15-25(24)26)39-33(43)30(21(4)7-2)38-31(41)27(36-22(5)40)17-23-13-9-8-10-14-23/h8-16,19-21,27-30,35H,6-7,17-18H2,1-5H3,(H,36,40)(H,37,42)(H,38,41)(H,39,43)(H,44,45)/t20-,21-,27+,28-,29-,30-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity against ET A receptor from rabbit renal artery vascular smooth muscle cells


J Med Chem 36: 2585-94 (1993)


Article DOI: 10.1021/jm00070a001
BindingDB Entry DOI: 10.7270/Q2V69K6K
More data for this
Ligand-Target Pair
EDNRB


(RAT)
BDBM50045247
PNG
(3-((R)-2-Acetylamino-3-phenyl-propionylamino)-N-{(...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(C)=O)[C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C34H45N5O6/c1-6-20(3)29(32(42)37-28(34(44)45)18-24-19-35-26-16-12-11-15-25(24)26)39-33(43)30(21(4)7-2)38-31(41)27(36-22(5)40)17-23-13-9-8-10-14-23/h8-16,19-21,27-30,35H,6-7,17-18H2,1-5H3,(H,36,40)(H,37,42)(H,38,41)(H,39,43)(H,44,45)/t20-,21-,27+,28-,29-,30-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Effective concentration against Endothelin B receptor from rat cerebellum


J Med Chem 36: 2585-94 (1993)


Article DOI: 10.1021/jm00070a001
BindingDB Entry DOI: 10.7270/Q2V69K6K
More data for this
Ligand-Target Pair
EDNRB


(RAT)
BDBM50045258
PNG
((S)-2-[(S)-2-((R)-2-Acetylamino-3-phenyl-propionyl...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](Cc1ccccc1)NC(C)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C28H34N4O5/c1-4-17(2)25(32-26(34)23(30-18(3)33)14-19-10-6-5-7-11-19)27(35)31-24(28(36)37)15-20-16-29-22-13-9-8-12-21(20)22/h5-13,16-17,23-25,29H,4,14-15H2,1-3H3,(H,30,33)(H,31,35)(H,32,34)(H,36,37)/t17-,23+,24-,25-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Effective concentration against Endothelin B receptor from rat cerebellum


J Med Chem 36: 2585-94 (1993)


Article DOI: 10.1021/jm00070a001
BindingDB Entry DOI: 10.7270/Q2V69K6K
More data for this
Ligand-Target Pair
EDNRB


(RAT)
BDBM50045224
PNG
(Ac-D-Dip-Leu-Phe-Ile-Ile-Trp | CHEMBL387200)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](NC(C)=O)C(c1ccccc1)c1ccccc1)[C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C55H69N7O8/c1-8-34(5)47(52(66)60-45(55(69)70)31-40-32-56-42-28-20-19-27-41(40)42)62-53(67)48(35(6)9-2)61-51(65)44(30-37-21-13-10-14-22-37)58-50(64)43(29-33(3)4)59-54(68)49(57-36(7)63)46(38-23-15-11-16-24-38)39-25-17-12-18-26-39/h10-28,32-35,43-49,56H,8-9,29-31H2,1-7H3,(H,57,63)(H,58,64)(H,59,68)(H,60,66)(H,61,65)(H,62,67)(H,69,70)/t34-,35-,43-,44-,45-,47-,48-,49+/m0/s1
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n/an/an/an/a 60n/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Effective concentration against Endothelin B receptor from rat cerebellum


J Med Chem 36: 2585-94 (1993)


Article DOI: 10.1021/jm00070a001
BindingDB Entry DOI: 10.7270/Q2V69K6K
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))
BDBM50045260
PNG
(Ac-D-Phe-Leu-Lys-Ile-Ile-Trp | CHEMBL431218)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1ccccc1)NC(C)=O)[C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C46H68N8O8/c1-8-28(5)39(44(59)52-38(46(61)62)25-32-26-48-34-20-14-13-19-33(32)34)54-45(60)40(29(6)9-2)53-41(56)35(21-15-16-22-47)50-42(57)36(23-27(3)4)51-43(58)37(49-30(7)55)24-31-17-11-10-12-18-31/h10-14,17-20,26-29,35-40,48H,8-9,15-16,21-25,47H2,1-7H3,(H,49,55)(H,50,57)(H,51,58)(H,52,59)(H,53,56)(H,54,60)(H,61,62)/t28-,29-,35-,36-,37+,38-,39-,40-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity against ET A receptor from rabbit renal artery vascular smooth muscle cells


J Med Chem 36: 2585-94 (1993)


Article DOI: 10.1021/jm00070a001
BindingDB Entry DOI: 10.7270/Q2V69K6K
More data for this
Ligand-Target Pair
EDNRB


(RAT)
BDBM50045240
PNG
((S)-2-[(S)-2-((2S,5S)-2-{(S)-2-[(S)-2-((R)-2-Acety...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1ccccc1)NC(C)=O)[C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C49H65N7O8/c1-8-30(5)42(47(61)54-41(49(63)64)27-35-28-50-37-23-17-16-22-36(35)37)56-48(62)43(31(6)9-2)55-46(60)40(26-34-20-14-11-15-21-34)53-44(58)38(24-29(3)4)52-45(59)39(51-32(7)57)25-33-18-12-10-13-19-33/h10-23,28-31,38-43,50H,8-9,24-27H2,1-7H3,(H,51,57)(H,52,59)(H,53,58)(H,54,61)(H,55,60)(H,56,62)(H,63,64)/t30-,31-,38-,39+,40-,41-,42-,43-/m0/s1
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n/an/a 36n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Effective concentration against Endothelin B receptor from rat cerebellum


J Med Chem 36: 2585-94 (1993)


Article DOI: 10.1021/jm00070a001
BindingDB Entry DOI: 10.7270/Q2V69K6K
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))
BDBM50045258
PNG
((S)-2-[(S)-2-((R)-2-Acetylamino-3-phenyl-propionyl...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](Cc1ccccc1)NC(C)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C28H34N4O5/c1-4-17(2)25(32-26(34)23(30-18(3)33)14-19-10-6-5-7-11-19)27(35)31-24(28(36)37)15-20-16-29-22-13-9-8-12-21(20)22/h5-13,16-17,23-25,29H,4,14-15H2,1-3H3,(H,30,33)(H,31,35)(H,32,34)(H,36,37)/t17-,23+,24-,25-/m0/s1
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n/an/a 8.00E+3n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity against ET A receptor from rabbit renal artery vascular smooth muscle cells


J Med Chem 36: 2585-94 (1993)


Article DOI: 10.1021/jm00070a001
BindingDB Entry DOI: 10.7270/Q2V69K6K
More data for this
Ligand-Target Pair
EDNRB


(RAT)
BDBM50045260
PNG
(Ac-D-Phe-Leu-Lys-Ile-Ile-Trp | CHEMBL431218)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1ccccc1)NC(C)=O)[C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C46H68N8O8/c1-8-28(5)39(44(59)52-38(46(61)62)25-32-26-48-34-20-14-13-19-33(32)34)54-45(60)40(29(6)9-2)53-41(56)35(21-15-16-22-47)50-42(57)36(23-27(3)4)51-43(58)37(49-30(7)55)24-31-17-11-10-12-18-31/h10-14,17-20,26-29,35-40,48H,8-9,15-16,21-25,47H2,1-7H3,(H,49,55)(H,50,57)(H,51,58)(H,52,59)(H,53,56)(H,54,60)(H,61,62)/t28-,29-,35-,36-,37+,38-,39-,40-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Effective concentration against Endothelin B receptor from rat cerebellum


J Med Chem 36: 2585-94 (1993)


Article DOI: 10.1021/jm00070a001
BindingDB Entry DOI: 10.7270/Q2V69K6K
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))
BDBM50045240
PNG
((S)-2-[(S)-2-((2S,5S)-2-{(S)-2-[(S)-2-((R)-2-Acety...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1ccccc1)NC(C)=O)[C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C49H65N7O8/c1-8-30(5)42(47(61)54-41(49(63)64)27-35-28-50-37-23-17-16-22-36(35)37)56-48(62)43(31(6)9-2)55-46(60)40(26-34-20-14-11-15-21-34)53-44(58)38(24-29(3)4)52-45(59)39(51-32(7)57)25-33-18-12-10-13-19-33/h10-23,28-31,38-43,50H,8-9,24-27H2,1-7H3,(H,51,57)(H,52,59)(H,53,58)(H,54,61)(H,55,60)(H,56,62)(H,63,64)/t30-,31-,38-,39+,40-,41-,42-,43-/m0/s1
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n/an/a 1.40E+3n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity against ET A receptor from rabbit renal artery vascular smooth muscle cells


J Med Chem 36: 2585-94 (1993)


Article DOI: 10.1021/jm00070a001
BindingDB Entry DOI: 10.7270/Q2V69K6K
More data for this
Ligand-Target Pair
Oligopeptide transporter small intestine isoform


(Homo sapiens (Human))
BDBM50001946
PNG
(2-(6-Amino-2-aminomethyl-hexanoylamino)-3-(1H-indo...)
Show SMILES NCCCC[C@H](N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C17H24N4O3/c18-8-4-3-6-13(19)16(22)21-15(17(23)24)9-11-10-20-14-7-2-1-5-12(11)14/h1-2,5,7,10,13,15,20H,3-4,6,8-9,18-19H2,(H,21,22)(H,23,24)/t13-,15-/m0/s1
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n/an/a 6.60E+5n/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to human PEPT1 assessed as inhibition of [14C]Gly-Sar uptake in MDCK cells


J Med Chem 49: 3636-44 (2006)


Article DOI: 10.1021/jm0511029
BindingDB Entry DOI: 10.7270/Q2P55P9R
More data for this
Ligand-Target Pair
Oligopeptide transporter small intestine isoform


(Homo sapiens (Human))
BDBM50038066
PNG
((S)-2-((S)-2-Amino-3-methyl-butyrylamino)-3-(1H-in...)
Show SMILES CC(C)[C@H](N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C16H21N3O3/c1-9(2)14(17)15(20)19-13(16(21)22)7-10-8-18-12-6-4-3-5-11(10)12/h3-6,8-9,13-14,18H,7,17H2,1-2H3,(H,19,20)(H,21,22)/t13-,14-/m0/s1
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n/an/a 1.00E+5n/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to human PEPT1 assessed as inhibition of [14C]Gly-Sar uptake in MDCK cells


J Med Chem 49: 3636-44 (2006)


Article DOI: 10.1021/jm0511029
BindingDB Entry DOI: 10.7270/Q2P55P9R
More data for this
Ligand-Target Pair
Oligopeptide transporter small intestine isoform


(Homo sapiens (Human))
BDBM50038066
PNG
((S)-2-((S)-2-Amino-3-methyl-butyrylamino)-3-(1H-in...)
Show SMILES CC(C)[C@H](N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C16H21N3O3/c1-9(2)14(17)15(20)19-13(16(21)22)7-10-8-18-12-6-4-3-5-11(10)12/h3-6,8-9,13-14,18H,7,17H2,1-2H3,(H,19,20)(H,21,22)/t13-,14-/m0/s1
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n/an/an/an/a 4.00E+4n/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Activation of human PEPT1 expressed in MDCK cells


J Med Chem 49: 3636-44 (2006)


Article DOI: 10.1021/jm0511029
BindingDB Entry DOI: 10.7270/Q2P55P9R
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Homo sapiens (Human))
BDBM50038066
PNG
((S)-2-((S)-2-Amino-3-methyl-butyrylamino)-3-(1H-in...)
Show SMILES CC(C)[C@H](N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C16H21N3O3/c1-9(2)14(17)15(20)19-13(16(21)22)7-10-8-18-12-6-4-3-5-11(10)12/h3-6,8-9,13-14,18H,7,17H2,1-2H3,(H,19,20)(H,21,22)/t13-,14-/m0/s1
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n/an/a 1.58E+3n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Biological activity was measured against Angiotensin I converting enzyme


J Med Chem 38: 2705-13 (1995)


Article DOI: 10.1021/jm00014a022
BindingDB Entry DOI: 10.7270/Q2GX4CSN
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Homo sapiens (Human))
BDBM50038066
PNG
((S)-2-((S)-2-Amino-3-methyl-butyrylamino)-3-(1H-in...)
Show SMILES CC(C)[C@H](N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C16H21N3O3/c1-9(2)14(17)15(20)19-13(16(21)22)7-10-8-18-12-6-4-3-5-11(10)12/h3-6,8-9,13-14,18H,7,17H2,1-2H3,(H,19,20)(H,21,22)/t13-,14-/m0/s1
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n/an/a 1.60E+3n/an/an/an/an/an/a



Tanabe Seiyaku Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity on Angiotensin I converting enzyme (ACE) obtained from pig renal cortex and hippuryl-histidyl-leucine as substrate


J Med Chem 32: 289-97 (1989)


Article DOI: 10.1021/jm00122a003
BindingDB Entry DOI: 10.7270/Q2XP75JS
More data for this
Ligand-Target Pair
Endothelin receptor


(RAT)
BDBM50045240
PNG
((S)-2-[(S)-2-((2S,5S)-2-{(S)-2-[(S)-2-((R)-2-Acety...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1ccccc1)NC(C)=O)[C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C49H65N7O8/c1-8-30(5)42(47(61)54-41(49(63)64)27-35-28-50-37-23-17-16-22-36(35)37)56-48(62)43(31(6)9-2)55-46(60)40(26-34-20-14-11-15-21-34)53-44(58)38(24-29(3)4)52-45(59)39(51-32(7)57)25-33-18-12-10-13-19-33/h10-23,28-31,38-43,50H,8-9,24-27H2,1-7H3,(H,51,57)(H,52,59)(H,53,58)(H,54,61)(H,55,60)(H,56,62)(H,63,64)/t30-,31-,38-,39+,40-,41-,42-,43-/m0/s1
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n/an/a 380n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity against Endothelin receptor from rat heart ventricle


J Med Chem 36: 2585-94 (1993)


Article DOI: 10.1021/jm00070a001
BindingDB Entry DOI: 10.7270/Q2V69K6K
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))
BDBM50032180
PNG
((S)-2-[(2S,3S)-2-((2S,3S)-2-{(S)-2-[(S)-2-((S)-2-A...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(C)=O)C(c1ccccc1)c1ccccc1)[C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C55H69N7O8/c1-8-34(5)47(52(66)60-45(55(69)70)31-40-32-56-42-28-20-19-27-41(40)42)62-53(67)48(35(6)9-2)61-51(65)44(30-37-21-13-10-14-22-37)58-50(64)43(29-33(3)4)59-54(68)49(57-36(7)63)46(38-23-15-11-16-24-38)39-25-17-12-18-26-39/h10-28,32-35,43-49,56H,8-9,29-31H2,1-7H3,(H,57,63)(H,58,64)(H,59,68)(H,60,66)(H,61,65)(H,62,67)(H,69,70)/t34-,35-,43-,44-,45-,47-,48-,49-/m0/s1
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n/an/a 840n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibition of ET-1 stimulated arachidonic acid release in rabbit renal vascular smooth muscle cells


J Med Chem 38: 2809-19 (1995)


Article DOI: 10.1021/jm00015a003
BindingDB Entry DOI: 10.7270/Q2KD1WZQ
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))
BDBM50032202
PNG
((S)-2-[(2S,3S)-2-((2S,3S)-2-{(S)-2-[(S)-2-((S)-2-A...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(C)=O)C(c1ccccc1)c1ccccc1)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C49H65N7O8/c1-9-29(5)41(46(60)54-39(49(63)64)26-35-27-50-37-24-18-17-23-36(35)37)56-47(61)42(30(6)10-2)55-44(58)31(7)51-45(59)38(25-28(3)4)53-48(62)43(52-32(8)57)40(33-19-13-11-14-20-33)34-21-15-12-16-22-34/h11-24,27-31,38-43,50H,9-10,25-26H2,1-8H3,(H,51,59)(H,52,57)(H,53,62)(H,54,60)(H,55,58)(H,56,61)(H,63,64)/t29-,30-,31-,38-,39-,41-,42-,43-/m0/s1
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n/an/a 35n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity against endothelin A receptor from rabbit renal vascular smooth muscles


J Med Chem 38: 2809-19 (1995)


Article DOI: 10.1021/jm00015a003
BindingDB Entry DOI: 10.7270/Q2KD1WZQ
More data for this
Ligand-Target Pair
Neurokinin 1 receptor


(GUINEA PIG)
BDBM50002567
PNG
(2-[1-[1-amino-2-(1H-3-indolyl)-(1R)-ethylcarboxami...)
Show SMILES N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C31H31N5O4/c32-24(15-20-17-33-25-12-6-4-10-22(20)25)29(37)35-27(14-19-8-2-1-3-9-19)30(38)36-28(31(39)40)16-21-18-34-26-13-7-5-11-23(21)26/h1-13,17-18,24,27-28,33-34H,14-16,32H2,(H,35,37)(H,36,38)(H,39,40)/t24-,27+,28-/m1/s1
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n/an/a 1.00E+5n/an/an/an/an/an/a



Fujisawa Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Displacement of specific binding of [3H]SP to tachykinin receptor 1 from the isolated guinea pig tracheal strips


J Med Chem 35: 2015-25 (1992)


Article DOI: 10.1021/jm00089a011
BindingDB Entry DOI: 10.7270/Q2WS8TVS
More data for this
Ligand-Target Pair
Neurokinin 1 receptor


(GUINEA PIG)
BDBM50002572
PNG
(2-[1-[1-amino-2-phenyl-(1S)-ethylcarboxamido]-2-(1...)
Show SMILES N[C@@H](Cc1ccccc1)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C31H31N5O4/c32-24(14-19-8-2-1-3-9-19)29(37)35-27(15-20-17-33-25-12-6-4-10-22(20)25)30(38)36-28(31(39)40)16-21-18-34-26-13-7-5-11-23(21)26/h1-13,17-18,24,27-28,33-34H,14-16,32H2,(H,35,37)(H,36,38)(H,39,40)/t24-,27+,28+/m0/s1
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n/an/a 5.80E+4n/an/an/an/an/an/a



Fujisawa Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Displacement of specific binding of [3H]SP to tachykinin receptor 1 from the isolated guinea pig tracheal strips


J Med Chem 35: 2015-25 (1992)


Article DOI: 10.1021/jm00089a011
BindingDB Entry DOI: 10.7270/Q2WS8TVS
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))
BDBM50045247
PNG
(3-((R)-2-Acetylamino-3-phenyl-propionylamino)-N-{(...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(C)=O)[C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C34H45N5O6/c1-6-20(3)29(32(42)37-28(34(44)45)18-24-19-35-26-16-12-11-15-25(24)26)39-33(43)30(21(4)7-2)38-31(41)27(36-22(5)40)17-23-13-9-8-10-14-23/h8-16,19-21,27-30,35H,6-7,17-18H2,1-5H3,(H,36,40)(H,37,42)(H,38,41)(H,39,43)(H,44,45)/t20-,21-,27+,28-,29-,30-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [125I]-ET-1 from Endothelin A receptor of rabbit renal artery vascular smooth muscle cells


Bioorg Med Chem Lett 3: 497-502 (1993)


Article DOI: 10.1016/S0960-894X(01)81215-4
BindingDB Entry DOI: 10.7270/Q2M908MP
More data for this
Ligand-Target Pair