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143 similar compounds to monomer 50366416

Compile data set for download or QSAR
Wt: 887.0
BDBM50001220
Wt: 924.0
BDBM50001218
Wt: 848.9
BDBM50045227
Wt: 898.0
BDBM50001221
Wt: 847.9
BDBM50001217
Wt: 934.0
BDBM50285153
Wt: 471.5
BDBM17344
Wt: 830.9
BDBM50366424
Wt: 830.9
BDBM50366419
Wt: 925.0
BDBM50045246
Wt: 948.1
BDBM50368433
Wt: 687.7
BDBM50116986
Wt: 1030.1
BDBM50000141
Wt: 462.4
BDBM50002535
Wt: 443.4
BDBM50002554
Displayed 1 to 15 (of 142 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 42 hits for monomerid = 50001220,50001218,50045227,50001221,50001217,50285153,17344,50366424,50366419,50045246,50368433,50116986,50000141,50002535,50002554   
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
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50368433
PNG
(CHEMBL1790866 | CHEMBL3349477)
Show SMILES CC[C@H](C)[C@H](NC(=O)C1CCCN1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OC
Show InChI InChI=1S/C48H69N9O11/c1-7-28(4)42(47(66)55-37(48(67)68-6)22-31-24-50-33-17-12-11-16-32(31)33)56-46(65)39-18-13-19-57(39)25-40(60)34(21-30-14-9-8-10-15-30)52-44(63)36(23-41(49)61)54-43(62)35(20-27(2)3)53-45(64)38(26-58)51-29(5)59/h8-12,14-17,24,27-28,34-40,42,50,58,60H,7,13,18-23,25-26H2,1-6H3,(H2,49,61)(H,51,59)(H,52,63)(H,53,64)(H,54,62)(H,55,66)(H,56,65)/t28-,34+,35+,36+,37+,38+,39?,40-,42+/m1/s1
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3.60n/an/an/an/an/an/an/an/a



University of Wisconsin-Madison

Curated by ChEMBL


Assay Description
Binding affinity to HIV protease


J Med Chem 35: 3803-12 (1992)


Article DOI: 10.1021/jm00099a008
BindingDB Entry DOI: 10.7270/Q2348M0D
More data for this
Ligand-Target Pair
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
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
Gonadotropin-releasing hormone receptor


(Rattus norvegicus)
BDBM50001220
PNG
(3-{2-[2-Acetylamino-3-(1H-indol-3-yl)-propionylami...)
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](Cc1c[nH]c2ccccc12)NC(C)=O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C46H62N8O10/c1-8-25(5)39(44(61)52-37(46(63)64)20-29-23-48-33-17-13-11-15-31(29)33)54-45(62)40(26(6)9-2)53-43(60)36(21-38(56)57)51-41(58)34(18-24(3)4)50-42(59)35(49-27(7)55)19-28-22-47-32-16-12-10-14-30(28)32/h10-17,22-26,34-37,39-40,47-48H,8-9,18-21H2,1-7H3,(H,49,55)(H,50,59)(H,51,58)(H,52,61)(H,53,60)(H,54,62)(H,56,57)(H,63,64)/t25-,26-,34-,35+,36-,37-,39-,40-/m0/s1
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1.90E+3n/an/an/an/an/an/an/an/a



Institute of Science

Curated by ChEMBL


Assay Description
Inhibition constant for the displacement of specific binding of [125I]-[D-Lys6]-GnRH (Kd=177 pM) bound to rat pituitary membranes


J Med Chem 43: 2824-30 (2000)


Article DOI: 10.1021/jm990432o
BindingDB Entry DOI: 10.7270/Q2FF3RK0
More data for this
Ligand-Target Pair
EDNRB


(RAT)
BDBM50001217
PNG
(3-[2-(2-Acetylamino-3-phenyl-propionylamino)-4-met...)
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](Cc1ccccc1)NC(C)=O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C44H61N7O10/c1-8-25(5)37(42(58)49-35(44(60)61)21-29-23-45-31-18-14-13-17-30(29)31)51-43(59)38(26(6)9-2)50-41(57)34(22-36(53)54)48-39(55)32(19-24(3)4)47-40(56)33(46-27(7)52)20-28-15-11-10-12-16-28/h10-18,23-26,32-35,37-38,45H,8-9,19-22H2,1-7H3,(H,46,52)(H,47,56)(H,48,55)(H,49,58)(H,50,57)(H,51,59)(H,53,54)(H,60,61)/t25-,26-,32-,33+,34-,35-,37-,38-/m0/s1
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n/an/a 3.30E+3n/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 ET-A


(Sus scrofa)
BDBM50285153
PNG
(2-{1-[1-(2-carboxy-1-{1-[2-(10,11-dihydro-5H-diben...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](NC(C)=O)C1c2ccccc2CCc2ccccc12)[C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C51H63N7O10/c1-6-28(3)43(48(64)55-39(51(67)68)25-33-27-52-37-20-13-12-17-34(33)37)57-49(65)44(29(4)7-2)56-46(62)38(26-41(60)61)54-47(63)40-21-14-24-58(40)50(66)45(53-30(5)59)42-35-18-10-8-15-31(35)22-23-32-16-9-11-19-36(32)42/h8-13,15-20,27-29,38-40,42-45,52H,6-7,14,21-26H2,1-5H3,(H,53,59)(H,54,63)(H,55,64)(H,56,62)(H,57,65)(H,60,61)(H,67,68)/t28-,29-,38-,39-,40-,43-,44-,45+/m0/s1
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n/an/a 6n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antagonist activity against ET-A from porcine heart membranes


Bioorg Med Chem Lett 5: 2041-2044 (1995)


Article DOI: 10.1016/0960-894X(95)00349-X
BindingDB Entry DOI: 10.7270/Q26D5TF8
More data for this
Ligand-Target Pair
EDNRB


(RAT)
BDBM50366419
PNG
(CHEMBL2369710)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(C)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C43H58N8O9/c1-6-25(4)37(41(57)49-34(43(59)60)21-28-23-45-30-16-11-10-15-29(28)30)50-40(56)35-17-12-18-51(35)42(58)33(22-36(44)53)48-38(54)31(19-24(2)3)47-39(55)32(46-26(5)52)20-27-13-8-7-9-14-27/h7-11,13-16,23-25,31-35,37,45H,6,12,17-22H2,1-5H3,(H2,44,53)(H,46,52)(H,47,55)(H,48,54)(H,49,57)(H,50,56)(H,59,60)/t25-,31-,32-,33-,34-,35-,37-/m0/s1
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n/an/a 1.30E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [125I]-endothelin-3 [ET-3] binding to endothelin B receptor (ETB) of rat cerebellum


Bioorg Med Chem Lett 5: 967-972 (1995)


Article DOI: 10.1016/0960-894X(95)00152-J
BindingDB Entry DOI: 10.7270/Q2MG7PZH
More data for this
Ligand-Target Pair
EDNRB


(RAT)
BDBM50366424
PNG
(CHEMBL2369709)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1ccccc1)NC(C)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C43H58N8O9/c1-6-25(4)37(41(57)49-34(43(59)60)21-28-23-45-30-16-11-10-15-29(28)30)50-40(56)35-17-12-18-51(35)42(58)33(22-36(44)53)48-38(54)31(19-24(2)3)47-39(55)32(46-26(5)52)20-27-13-8-7-9-14-27/h7-11,13-16,23-25,31-35,37,45H,6,12,17-22H2,1-5H3,(H2,44,53)(H,46,52)(H,47,55)(H,48,54)(H,49,57)(H,50,56)(H,59,60)/t25-,31-,32+,33-,34-,35-,37-/m0/s1
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n/an/a 270n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [125I]-endothelin-3 [ET-3] binding to endothelin B receptor (ETB) of rat cerebellum


Bioorg Med Chem Lett 5: 967-972 (1995)


Article DOI: 10.1016/0960-894X(95)00152-J
BindingDB Entry DOI: 10.7270/Q2MG7PZH
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))
BDBM50366424
PNG
(CHEMBL2369709)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1ccccc1)NC(C)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C43H58N8O9/c1-6-25(4)37(41(57)49-34(43(59)60)21-28-23-45-30-16-11-10-15-29(28)30)50-40(56)35-17-12-18-51(35)42(58)33(22-36(44)53)48-38(54)31(19-24(2)3)47-39(55)32(46-26(5)52)20-27-13-8-7-9-14-27/h7-11,13-16,23-25,31-35,37,45H,6,12,17-22H2,1-5H3,(H2,44,53)(H,46,52)(H,47,55)(H,48,54)(H,49,57)(H,50,56)(H,59,60)/t25-,31-,32+,33-,34-,35-,37-/m0/s1
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n/an/a 40n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [125I]endothelin-1 [ET-1] binding to endothelin A receptor (ETA) of rabbit renal artery vascular smooth muscle cells


Bioorg Med Chem Lett 5: 967-972 (1995)


Article DOI: 10.1016/0960-894X(95)00152-J
BindingDB Entry DOI: 10.7270/Q2MG7PZH
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))
BDBM50366419
PNG
(CHEMBL2369710)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(C)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C43H58N8O9/c1-6-25(4)37(41(57)49-34(43(59)60)21-28-23-45-30-16-11-10-15-29(28)30)50-40(56)35-17-12-18-51(35)42(58)33(22-36(44)53)48-38(54)31(19-24(2)3)47-39(55)32(46-26(5)52)20-27-13-8-7-9-14-27/h7-11,13-16,23-25,31-35,37,45H,6,12,17-22H2,1-5H3,(H2,44,53)(H,46,52)(H,47,55)(H,48,54)(H,49,57)(H,50,56)(H,59,60)/t25-,31-,32-,33-,34-,35-,37-/m0/s1
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n/an/a 2.40E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [125I]endothelin-1 [ET-1] binding to endothelin A receptor (ETA) of rabbit renal artery vascular smooth muscle cells


Bioorg Med Chem Lett 5: 967-972 (1995)


Article DOI: 10.1016/0960-894X(95)00152-J
BindingDB Entry DOI: 10.7270/Q2MG7PZH
More data for this
Ligand-Target Pair
Membrane-associated guanylate kinase-related 3


(Homo sapiens (Human))
BDBM50116986
PNG
(AcQITWV-OH | CHEMBL2369910)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(C)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C(C)C)C(O)=O
Show InChI InChI=1S/C33H49N7O9/c1-7-17(4)27(39-29(44)23(36-19(6)42)12-13-25(34)43)31(46)40-28(18(5)41)32(47)37-24(30(45)38-26(16(2)3)33(48)49)14-20-15-35-22-11-9-8-10-21(20)22/h8-11,15-18,23-24,26-28,35,41H,7,12-14H2,1-6H3,(H2,34,43)(H,36,42)(H,37,47)(H,38,45)(H,39,44)(H,40,46)(H,48,49)/t17-,18+,23-,24-,26-,27-,28-/m0/s1
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n/an/a 4.50E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibitory concentration for MAGI-3 PDZ2 domain


Bioorg Med Chem Lett 12: 2471-4 (2002)


Article DOI: 10.1016/s0960-894x(02)00345-1
BindingDB Entry DOI: 10.7270/Q2HQ40FV
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))
BDBM50045227
PNG
((S)-3-[2-((R)-2-Acetylamino-3-phenyl-propionylamin...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCN)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/C43H60N8O10/c1-6-24(3)36(41(58)49-34(43(60)61)21-28-23-45-30-17-12-11-16-29(28)30)51-42(59)37(25(4)7-2)50-40(57)33(22-35(53)54)48-38(55)31(18-13-19-44)47-39(56)32(46-26(5)52)20-27-14-9-8-10-15-27/h8-12,14-17,23-25,31-34,36-37,45H,6-7,13,18-22,44H2,1-5H3,(H,46,52)(H,47,56)(H,48,55)(H,49,58)(H,50,57)(H,51,59)(H,53,54)(H,60,61)/t24-,25-,31-,32+,33-,34-,36-,37-/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 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 receptor


(RAT)
BDBM50001217
PNG
(3-[2-(2-Acetylamino-3-phenyl-propionylamino)-4-met...)
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](Cc1ccccc1)NC(C)=O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C44H61N7O10/c1-8-25(5)37(42(58)49-35(44(60)61)21-29-23-45-31-18-14-13-17-30(29)31)51-43(59)38(26(6)9-2)50-41(57)34(22-36(53)54)48-39(55)32(19-24(3)4)47-40(56)33(46-27(7)52)20-28-15-11-10-12-16-28/h10-18,23-26,32-35,37-38,45H,8-9,19-22H2,1-7H3,(H,46,52)(H,47,56)(H,48,55)(H,49,58)(H,50,57)(H,51,59)(H,53,54)(H,60,61)/t25-,26-,32-,33+,34-,35-,37-,38-/m0/s1
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n/an/a 140n/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)
BDBM50045227
PNG
((S)-3-[2-((R)-2-Acetylamino-3-phenyl-propionylamin...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCN)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/C43H60N8O10/c1-6-24(3)36(41(58)49-34(43(60)61)21-28-23-45-30-17-12-11-16-29(28)30)51-42(59)37(25(4)7-2)50-40(57)33(22-35(53)54)48-38(55)31(18-13-19-44)47-39(56)32(46-26(5)52)20-27-14-9-8-10-15-27/h8-12,14-17,23-25,31-34,36-37,45H,6-7,13,18-22,44H2,1-5H3,(H,46,52)(H,47,56)(H,48,55)(H,49,58)(H,50,57)(H,51,59)(H,53,54)(H,60,61)/t24-,25-,31-,32+,33-,34-,36-,37-/m0/s1
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n/an/a 2.45E+3n/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)
BDBM50045246
PNG
(Ac-D-Dip-Orn-Asp-Ile-Ile-Trp | CHEMBL2370066)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCN)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/C49H64N8O10/c1-6-28(3)41(46(63)55-38(49(66)67)25-33-27-51-35-22-15-14-21-34(33)35)57-47(64)42(29(4)7-2)56-45(62)37(26-39(59)60)54-44(61)36(23-16-24-50)53-48(65)43(52-30(5)58)40(31-17-10-8-11-18-31)32-19-12-9-13-20-32/h8-15,17-22,27-29,36-38,40-43,51H,6-7,16,23-26,50H2,1-5H3,(H,52,58)(H,53,65)(H,54,61)(H,55,63)(H,56,62)(H,57,64)(H,59,60)(H,66,67)/t28-,29-,36-,37-,38-,41-,42-,43+/m0/s1
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n/an/an/an/a 150n/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))
BDBM50045246
PNG
(Ac-D-Dip-Orn-Asp-Ile-Ile-Trp | CHEMBL2370066)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCN)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/C49H64N8O10/c1-6-28(3)41(46(63)55-38(49(66)67)25-33-27-51-35-22-15-14-21-34(33)35)57-47(64)42(29(4)7-2)56-45(62)37(26-39(59)60)54-44(61)36(23-16-24-50)53-48(65)43(52-30(5)58)40(31-17-10-8-11-18-31)32-19-12-9-13-20-32/h8-15,17-22,27-29,36-38,40-43,51H,6-7,16,23-26,50H2,1-5H3,(H,52,58)(H,53,65)(H,54,61)(H,55,63)(H,56,62)(H,57,64)(H,59,60)(H,66,67)/t28-,29-,36-,37-,38-,41-,42-,43+/m0/s1
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n/an/an/an/a 13n/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
EDNRB


(RAT)
BDBM50001221
PNG
(3-[2-(2-Acetylamino-3-naphthalen-2-yl-propionylami...)
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](Cc1ccc2ccccc2c1)NC(C)=O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C48H63N7O10/c1-8-27(5)41(46(62)53-39(48(64)65)23-33-25-49-35-17-13-12-16-34(33)35)55-47(63)42(28(6)9-2)54-45(61)38(24-40(57)58)52-43(59)36(20-26(3)4)51-44(60)37(50-29(7)56)22-30-18-19-31-14-10-11-15-32(31)21-30/h10-19,21,25-28,36-39,41-42,49H,8-9,20,22-24H2,1-7H3,(H,50,56)(H,51,60)(H,52,59)(H,53,62)(H,54,61)(H,55,63)(H,57,58)(H,64,65)/t27-,28-,36-,37+,38-,39-,41-,42-/m0/s1
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n/an/a 1.90E+3n/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))
BDBM50001218
PNG
(3-[2-(2-Acetylamino-3-biphenyl-4-yl-propionylamino...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1ccc(cc1)-c1ccccc1)NC(C)=O)[C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C50H65N7O10/c1-8-29(5)43(48(64)55-41(50(66)67)25-35-27-51-37-18-14-13-17-36(35)37)57-49(65)44(30(6)9-2)56-47(63)40(26-42(59)60)54-45(61)38(23-28(3)4)53-46(62)39(52-31(7)58)24-32-19-21-34(22-20-32)33-15-11-10-12-16-33/h10-22,27-30,38-41,43-44,51H,8-9,23-26H2,1-7H3,(H,52,58)(H,53,62)(H,54,61)(H,55,64)(H,56,63)(H,57,65)(H,59,60)(H,66,67)/t29-,30-,38-,39+,40-,41-,43-,44-/m0/s1
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n/an/a 3.50E+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
Endothelin-1 receptor


(Homo sapiens (Human))
BDBM50001217
PNG
(3-[2-(2-Acetylamino-3-phenyl-propionylamino)-4-met...)
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](Cc1ccccc1)NC(C)=O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C44H61N7O10/c1-8-25(5)37(42(58)49-35(44(60)61)21-29-23-45-31-18-14-13-17-30(29)31)51-43(59)38(26(6)9-2)50-41(57)34(22-36(53)54)48-39(55)32(19-24(3)4)47-40(56)33(46-27(7)52)20-28-15-11-10-12-16-28/h10-18,23-26,32-35,37-38,45H,8-9,19-22H2,1-7H3,(H,46,52)(H,47,56)(H,48,55)(H,49,58)(H,50,57)(H,51,59)(H,53,54)(H,60,61)/t25-,26-,32-,33+,34-,35-,37-,38-/m0/s1
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n/an/a 1.80E+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)
BDBM50001217
PNG
(3-[2-(2-Acetylamino-3-phenyl-propionylamino)-4-met...)
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](Cc1ccccc1)NC(C)=O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C44H61N7O10/c1-8-25(5)37(42(58)49-35(44(60)61)21-29-23-45-31-18-14-13-17-30(29)31)51-43(59)38(26(6)9-2)50-41(57)34(22-36(53)54)48-39(55)32(19-24(3)4)47-40(56)33(46-27(7)52)20-28-15-11-10-12-16-28/h10-18,23-26,32-35,37-38,45H,8-9,19-22H2,1-7H3,(H,46,52)(H,47,56)(H,48,55)(H,49,58)(H,50,57)(H,51,59)(H,53,54)(H,60,61)/t25-,26-,32-,33+,34-,35-,37-,38-/m0/s1
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n/an/a 2.00E+3n/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)
BDBM50001217
PNG
(3-[2-(2-Acetylamino-3-phenyl-propionylamino)-4-met...)
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](Cc1ccccc1)NC(C)=O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C44H61N7O10/c1-8-25(5)37(42(58)49-35(44(60)61)21-29-23-45-31-18-14-13-17-30(29)31)51-43(59)38(26(6)9-2)50-41(57)34(22-36(53)54)48-39(55)32(19-24(3)4)47-40(56)33(46-27(7)52)20-28-15-11-10-12-16-28/h10-18,23-26,32-35,37-38,45H,8-9,19-22H2,1-7H3,(H,46,52)(H,47,56)(H,48,55)(H,49,58)(H,50,57)(H,51,59)(H,53,54)(H,60,61)/t25-,26-,32-,33+,34-,35-,37-,38-/m0/s1
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n/an/a 3.30E+3n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibition of ET-1 binding to Endothelin B receptor in cultured rat cerebellar membranes


J Med Chem 35: 3301-3 (1992)


Article DOI: 10.1021/jm00095a029
BindingDB Entry DOI: 10.7270/Q21C1XGJ
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))
BDBM50001217
PNG
(3-[2-(2-Acetylamino-3-phenyl-propionylamino)-4-met...)
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](Cc1ccccc1)NC(C)=O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C44H61N7O10/c1-8-25(5)37(42(58)49-35(44(60)61)21-29-23-45-31-18-14-13-17-30(29)31)51-43(59)38(26(6)9-2)50-41(57)34(22-36(53)54)48-39(55)32(19-24(3)4)47-40(56)33(46-27(7)52)20-28-15-11-10-12-16-28/h10-18,23-26,32-35,37-38,45H,8-9,19-22H2,1-7H3,(H,46,52)(H,47,56)(H,48,55)(H,49,58)(H,50,57)(H,51,59)(H,53,54)(H,60,61)/t25-,26-,32-,33+,34-,35-,37-,38-/m0/s1
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n/an/a 2.80E+3n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibition of ET-1 binding to Endothelin A receptor in cultured rabbit renal artery vascular smooth muscle cells


J Med Chem 35: 3301-3 (1992)


Article DOI: 10.1021/jm00095a029
BindingDB Entry DOI: 10.7270/Q21C1XGJ
More data for this
Ligand-Target Pair
EDNRB


(RAT)
BDBM50001218
PNG
(3-[2-(2-Acetylamino-3-biphenyl-4-yl-propionylamino...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1ccc(cc1)-c1ccccc1)NC(C)=O)[C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C50H65N7O10/c1-8-29(5)43(48(64)55-41(50(66)67)25-35-27-51-37-18-14-13-17-36(35)37)57-49(65)44(30(6)9-2)56-47(63)40(26-42(59)60)54-45(61)38(23-28(3)4)53-46(62)39(52-31(7)58)24-32-19-21-34(22-20-32)33-15-11-10-12-16-33/h10-22,27-30,38-41,43-44,51H,8-9,23-26H2,1-7H3,(H,52,58)(H,53,62)(H,54,61)(H,55,64)(H,56,63)(H,57,65)(H,59,60)(H,66,67)/t29-,30-,38-,39+,40-,41-,43-,44-/m0/s1
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n/an/a 3.50E+3n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibition of ET-1 binding to Endothelin B receptor in cultured rat cerebellar membranes


J Med Chem 35: 3301-3 (1992)


Article DOI: 10.1021/jm00095a029
BindingDB Entry DOI: 10.7270/Q21C1XGJ
More data for this
Ligand-Target Pair
EDNRB


(RAT)
BDBM50001221
PNG
(3-[2-(2-Acetylamino-3-naphthalen-2-yl-propionylami...)
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](Cc1ccc2ccccc2c1)NC(C)=O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C48H63N7O10/c1-8-27(5)41(46(62)53-39(48(64)65)23-33-25-49-35-17-13-12-16-34(33)35)55-47(63)42(28(6)9-2)54-45(61)38(24-40(57)58)52-43(59)36(20-26(3)4)51-44(60)37(50-29(7)56)22-30-18-19-31-14-10-11-15-32(31)21-30/h10-19,21,25-28,36-39,41-42,49H,8-9,20,22-24H2,1-7H3,(H,50,56)(H,51,60)(H,52,59)(H,53,62)(H,54,61)(H,55,63)(H,57,58)(H,64,65)/t27-,28-,36-,37+,38-,39-,41-,42-/m0/s1
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n/an/a 4.00E+3n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibition of ET-1 binding to Endothelin B receptor in cultured rat cerebellar membranes


J Med Chem 35: 3301-3 (1992)


Article DOI: 10.1021/jm00095a029
BindingDB Entry DOI: 10.7270/Q21C1XGJ
More data for this
Ligand-Target Pair
EDNRB


(RAT)
BDBM50001220
PNG
(3-{2-[2-Acetylamino-3-(1H-indol-3-yl)-propionylami...)
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](Cc1c[nH]c2ccccc12)NC(C)=O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C46H62N8O10/c1-8-25(5)39(44(61)52-37(46(63)64)20-29-23-48-33-17-13-11-15-31(29)33)54-45(62)40(26(6)9-2)53-43(60)36(21-38(56)57)51-41(58)34(18-24(3)4)50-42(59)35(49-27(7)55)19-28-22-47-32-16-12-10-14-30(28)32/h10-17,22-26,34-37,39-40,47-48H,8-9,18-21H2,1-7H3,(H,49,55)(H,50,59)(H,51,58)(H,52,61)(H,53,60)(H,54,62)(H,56,57)(H,63,64)/t25-,26-,34-,35+,36-,37-,39-,40-/m0/s1
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n/an/a 1.80E+3n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibition of ET-1 binding to Endothelin B receptor in cultured rat cerebellar membranes


J Med Chem 35: 3301-3 (1992)


Article DOI: 10.1021/jm00095a029
BindingDB Entry DOI: 10.7270/Q21C1XGJ
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))
BDBM50001220
PNG
(3-{2-[2-Acetylamino-3-(1H-indol-3-yl)-propionylami...)
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](Cc1c[nH]c2ccccc12)NC(C)=O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C46H62N8O10/c1-8-25(5)39(44(61)52-37(46(63)64)20-29-23-48-33-17-13-11-15-31(29)33)54-45(62)40(26(6)9-2)53-43(60)36(21-38(56)57)51-41(58)34(18-24(3)4)50-42(59)35(49-27(7)55)19-28-22-47-32-16-12-10-14-30(28)32/h10-17,22-26,34-37,39-40,47-48H,8-9,18-21H2,1-7H3,(H,49,55)(H,50,59)(H,51,58)(H,52,61)(H,53,60)(H,54,62)(H,56,57)(H,63,64)/t25-,26-,34-,35+,36-,37-,39-,40-/m0/s1
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n/an/a 130n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibition of ET-1 binding to Endothelin A receptor in cultured rabbit renal artery vascular smooth muscle cells


J Med Chem 35: 3301-3 (1992)


Article DOI: 10.1021/jm00095a029
BindingDB Entry DOI: 10.7270/Q21C1XGJ
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))
BDBM50001218
PNG
(3-[2-(2-Acetylamino-3-biphenyl-4-yl-propionylamino...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1ccc(cc1)-c1ccccc1)NC(C)=O)[C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C50H65N7O10/c1-8-29(5)43(48(64)55-41(50(66)67)25-35-27-51-37-18-14-13-17-36(35)37)57-49(65)44(30(6)9-2)56-47(63)40(26-42(59)60)54-45(61)38(23-28(3)4)53-46(62)39(52-31(7)58)24-32-19-21-34(22-20-32)33-15-11-10-12-16-33/h10-22,27-30,38-41,43-44,51H,8-9,23-26H2,1-7H3,(H,52,58)(H,53,62)(H,54,61)(H,55,64)(H,56,63)(H,57,65)(H,59,60)(H,66,67)/t29-,30-,38-,39+,40-,41-,43-,44-/m0/s1
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n/an/a 4.40E+3n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibition of ET-1 binding to Endothelin A receptor in cultured rabbit renal artery vascular smooth muscle cells


J Med Chem 35: 3301-3 (1992)


Article DOI: 10.1021/jm00095a029
BindingDB Entry DOI: 10.7270/Q21C1XGJ
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))
BDBM50001221
PNG
(3-[2-(2-Acetylamino-3-naphthalen-2-yl-propionylami...)
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](Cc1ccc2ccccc2c1)NC(C)=O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C48H63N7O10/c1-8-27(5)41(46(62)53-39(48(64)65)23-33-25-49-35-17-13-12-16-34(33)35)55-47(63)42(28(6)9-2)54-45(61)38(24-40(57)58)52-43(59)36(20-26(3)4)51-44(60)37(50-29(7)56)22-30-18-19-31-14-10-11-15-32(31)21-30/h10-19,21,25-28,36-39,41-42,49H,8-9,20,22-24H2,1-7H3,(H,50,56)(H,51,60)(H,52,59)(H,53,62)(H,54,61)(H,55,63)(H,57,58)(H,64,65)/t27-,28-,36-,37+,38-,39-,41-,42-/m0/s1
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n/an/a 1.00E+3n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibition of ET-1 binding to Endothelin A receptor in cultured rabbit renal artery vascular smooth muscle cells


J Med Chem 35: 3301-3 (1992)


Article DOI: 10.1021/jm00095a029
BindingDB Entry DOI: 10.7270/Q21C1XGJ
More data for this
Ligand-Target Pair
Endothelin receptor


(RAT)
BDBM50001221
PNG
(3-[2-(2-Acetylamino-3-naphthalen-2-yl-propionylami...)
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](Cc1ccc2ccccc2c1)NC(C)=O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C48H63N7O10/c1-8-27(5)41(46(62)53-39(48(64)65)23-33-25-49-35-17-13-12-16-34(33)35)55-47(63)42(28(6)9-2)54-45(61)38(24-40(57)58)52-43(59)36(20-26(3)4)51-44(60)37(50-29(7)56)22-30-18-19-31-14-10-11-15-32(31)21-30/h10-19,21,25-28,36-39,41-42,49H,8-9,20,22-24H2,1-7H3,(H,50,56)(H,51,60)(H,52,59)(H,53,62)(H,54,61)(H,55,63)(H,57,58)(H,64,65)/t27-,28-,36-,37+,38-,39-,41-,42-/m0/s1
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n/an/a 1.00E+3n/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 receptor


(RAT)
BDBM50001218
PNG
(3-[2-(2-Acetylamino-3-biphenyl-4-yl-propionylamino...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1ccc(cc1)-c1ccccc1)NC(C)=O)[C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C50H65N7O10/c1-8-29(5)43(48(64)55-41(50(66)67)25-35-27-51-37-18-14-13-17-36(35)37)57-49(65)44(30(6)9-2)56-47(63)40(26-42(59)60)54-45(61)38(23-28(3)4)53-46(62)39(52-31(7)58)24-32-19-21-34(22-20-32)33-15-11-10-12-16-33/h10-22,27-30,38-41,43-44,51H,8-9,23-26H2,1-7H3,(H,52,58)(H,53,62)(H,54,61)(H,55,64)(H,56,63)(H,57,65)(H,59,60)(H,66,67)/t29-,30-,38-,39+,40-,41-,43-,44-/m0/s1
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n/an/a 4.40E+3n/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 receptor


(RAT)
BDBM50045227
PNG
((S)-3-[2-((R)-2-Acetylamino-3-phenyl-propionylamin...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCN)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/C43H60N8O10/c1-6-24(3)36(41(58)49-34(43(60)61)21-28-23-45-30-17-12-11-16-29(28)30)51-42(59)37(25(4)7-2)50-40(57)33(22-35(53)54)48-38(55)31(18-13-19-44)47-39(56)32(46-26(5)52)20-27-14-9-8-10-15-27/h8-12,14-17,23-25,31-34,36-37,45H,6-7,13,18-22,44H2,1-5H3,(H,46,52)(H,47,56)(H,48,55)(H,49,58)(H,50,57)(H,51,59)(H,53,54)(H,60,61)/t24-,25-,31-,32+,33-,34-,36-,37-/m0/s1
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n/an/a 680n/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 receptor


(RAT)
BDBM50001217
PNG
(3-[2-(2-Acetylamino-3-phenyl-propionylamino)-4-met...)
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](Cc1ccccc1)NC(C)=O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C44H61N7O10/c1-8-25(5)37(42(58)49-35(44(60)61)21-29-23-45-31-18-14-13-17-30(29)31)51-43(59)38(26(6)9-2)50-41(57)34(22-36(53)54)48-39(55)32(19-24(3)4)47-40(56)33(46-27(7)52)20-28-15-11-10-12-16-28/h10-18,23-26,32-35,37-38,45H,8-9,19-22H2,1-7H3,(H,46,52)(H,47,56)(H,48,55)(H,49,58)(H,50,57)(H,51,59)(H,53,54)(H,60,61)/t25-,26-,32-,33+,34-,35-,37-,38-/m0/s1
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n/an/a 740n/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))
BDBM50001217
PNG
(3-[2-(2-Acetylamino-3-phenyl-propionylamino)-4-met...)
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](Cc1ccccc1)NC(C)=O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C44H61N7O10/c1-8-25(5)37(42(58)49-35(44(60)61)21-29-23-45-31-18-14-13-17-30(29)31)51-43(59)38(26(6)9-2)50-41(57)34(22-36(53)54)48-39(55)32(19-24(3)4)47-40(56)33(46-27(7)52)20-28-15-11-10-12-16-28/h10-18,23-26,32-35,37-38,45H,8-9,19-22H2,1-7H3,(H,46,52)(H,47,56)(H,48,55)(H,49,58)(H,50,57)(H,51,59)(H,53,54)(H,60,61)/t25-,26-,32-,33+,34-,35-,37-,38-/m0/s1
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n/an/a 2.80E+3n/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
Neurokinin 1 receptor


(GUINEA PIG)
BDBM50002554
PNG
(2-[3-carbamoyl-1-[2-oxo-(5S)-dihydro-1H-5-pyrrolyl...)
Show SMILES NC(=O)CC[C@H](NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C21H25N5O6/c22-17(27)7-5-15(25-19(29)14-6-8-18(28)24-14)20(30)26-16(21(31)32)9-11-10-23-13-4-2-1-3-12(11)13/h1-4,10,14-16,23H,5-9H2,(H2,22,27)(H,24,28)(H,25,29)(H,26,30)(H,31,32)/t14-,15-,16+/m0/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)
BDBM50002535
PNG
(2-[2-(1-methyl-1H-3-indolyl)-1-[2-oxo-(5S)-dihydro...)
Show SMILES OC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCC(=O)N1
Show InChI InChI=1S/C25H26N4O5/c30-22-11-10-19(27-22)23(31)28-20(13-16-14-26-18-9-5-4-8-17(16)18)24(32)29-21(25(33)34)12-15-6-2-1-3-7-15/h1-9,14,19-21,26H,10-13H2,(H,27,30)(H,28,31)(H,29,32)(H,33,34)/t19-,20+,21-/m0/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
EDNRB


(RAT)
BDBM50045227
PNG
((S)-3-[2-((R)-2-Acetylamino-3-phenyl-propionylamin...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCN)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/C43H60N8O10/c1-6-24(3)36(41(58)49-34(43(60)61)21-28-23-45-30-17-12-11-16-29(28)30)51-42(59)37(25(4)7-2)50-40(57)33(22-35(53)54)48-38(55)31(18-13-19-44)47-39(56)32(46-26(5)52)20-27-14-9-8-10-15-27/h8-12,14-17,23-25,31-34,36-37,45H,6-7,13,18-22,44H2,1-5H3,(H,46,52)(H,47,56)(H,48,55)(H,49,58)(H,50,57)(H,51,59)(H,53,54)(H,60,61)/t24-,25-,31-,32+,33-,34-,36-,37-/m0/s1
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n/an/a 4.00E+3n/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))
BDBM50001217
PNG
(3-[2-(2-Acetylamino-3-phenyl-propionylamino)-4-met...)
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](Cc1ccccc1)NC(C)=O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C44H61N7O10/c1-8-25(5)37(42(58)49-35(44(60)61)21-29-23-45-31-18-14-13-17-30(29)31)51-43(59)38(26(6)9-2)50-41(57)34(22-36(53)54)48-39(55)32(19-24(3)4)47-40(56)33(46-27(7)52)20-28-15-11-10-12-16-28/h10-18,23-26,32-35,37-38,45H,8-9,19-22H2,1-7H3,(H,46,52)(H,47,56)(H,48,55)(H,49,58)(H,50,57)(H,51,59)(H,53,54)(H,60,61)/t25-,26-,32-,33+,34-,35-,37-,38-/m0/s1
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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
Endothelin-1 receptor


(Homo sapiens (Human))
BDBM50045227
PNG
((S)-3-[2-((R)-2-Acetylamino-3-phenyl-propionylamin...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCN)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/C43H60N8O10/c1-6-24(3)36(41(58)49-34(43(60)61)21-28-23-45-30-17-12-11-16-29(28)30)51-42(59)37(25(4)7-2)50-40(57)33(22-35(53)54)48-38(55)31(18-13-19-44)47-39(56)32(46-26(5)52)20-27-14-9-8-10-15-27/h8-12,14-17,23-25,31-34,36-37,45H,6-7,13,18-22,44H2,1-5H3,(H,46,52)(H,47,56)(H,48,55)(H,49,58)(H,50,57)(H,51,59)(H,53,54)(H,60,61)/t24-,25-,31-,32+,33-,34-,36-,37-/m0/s1
UniProtKB/SwissProt

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n/an/a 750n/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
Ribonucleoside-diphosphate reductase large subunit


(Homo sapiens (Human))
BDBM50000141
PNG
(2-{2-[2-(2-{2-[2-(2-{2-[2-Acetylamino-3-(1H-indol-...)
Show SMILES CC[C@@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(C)=O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(C)C)C(O)=O
Show InChI InChI=1S/C47H71N11O15/c1-10-23(6)38(45(70)54-31(17-34(48)61)42(67)53-32(18-36(63)64)43(68)55-33(47(72)73)15-21(2)3)58-44(69)37(22(4)5)57-46(71)39(25(8)59)56-35(62)20-50-40(65)24(7)51-41(66)30(52-26(9)60)16-27-19-49-29-14-12-11-13-28(27)29/h11-14,19,21-25,30-33,37-39,49,59H,10,15-18,20H2,1-9H3,(H2,48,61)(H,50,65)(H,51,66)(H,52,60)(H,53,67)(H,54,70)(H,55,68)(H,56,62)(H,57,71)(H,58,69)(H,63,64)(H,72,73)/t23-,24+,25-,30+,31+,32+,33+,37+,38+,39+/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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DrugBank
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PubMed
n/an/a 1.90E+3n/an/an/an/an/an/a



Notre-Dame Hospital Research

Curated by ChEMBL


Assay Description
Inhibitory concentration against HSV-1 ribonucleotide reductase R1 protein binding


J Med Chem 35: 346-50 (1992)


Article DOI: 10.1021/jm00080a021
BindingDB Entry DOI: 10.7270/Q2348JB2
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))
BDBM50001221
PNG
(3-[2-(2-Acetylamino-3-naphthalen-2-yl-propionylami...)
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](Cc1ccc2ccccc2c1)NC(C)=O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C48H63N7O10/c1-8-27(5)41(46(62)53-39(48(64)65)23-33-25-49-35-17-13-12-16-34(33)35)55-47(63)42(28(6)9-2)54-45(61)38(24-40(57)58)52-43(59)36(20-26(3)4)51-44(60)37(50-29(7)56)22-30-18-19-31-14-10-11-15-32(31)21-30/h10-19,21,25-28,36-39,41-42,49H,8-9,20,22-24H2,1-7H3,(H,50,56)(H,51,60)(H,52,59)(H,53,62)(H,54,61)(H,55,63)(H,57,58)(H,64,65)/t27-,28-,36-,37+,38-,39-,41-,42-/m0/s1
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n/an/a 1.00E+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