BindingDB logo
myBDB logout

265 similar compounds to monomer 50225985

Compile data set for download or QSAR
Wt: 887.0
BDBM50001220
Wt: 837.9
BDBM50001214
Wt: 837.9
BDBM50001215
Wt: 795.9
BDBM50001216
Wt: 837.9
BDBM50000553
Wt: 837.9
BDBM50000563
Wt: 584.6
BDBM50000733
Wt: 568.6
BDBM50000734
Wt: 598.6
BDBM50000735
Wt: 795.9
BDBM50000565
Wt: 837.9
BDBM50000566
Wt: 610.7
BDBM50000737
Wt: 624.7
BDBM50000739
Wt: 584.6
BDBM50000741
Wt: 816.9
BDBM50000562
Displayed 1 to 15 (of 248 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 36 hits for monomerid = 50000553,50000562,50000563,50000565,50000566,50000733,50000734,50000735,50000737,50000739,50000741,50001214,50001215,50001216,50001220   
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
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
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
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
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50000562
PNG
(CHEMBL433483)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H]1CCCN1C[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(C)=O)C(C)C)C(N)=O
Show InChI InChI=1S/C38H60N10O10/c1-20(2)31(33(41)53)46-38(58)32(21(3)4)47-37(57)28-12-9-15-48(28)18-24(16-23-10-7-6-8-11-23)43-35(55)26(17-30(40)52)45-34(54)25(13-14-29(39)51)44-36(56)27(19-49)42-22(5)50/h6-8,10-11,20-21,24-28,31-32,49H,9,12-19H2,1-5H3,(H2,39,51)(H2,40,52)(H2,41,53)(H,42,50)(H,43,55)(H,44,56)(H,45,54)(H,46,58)(H,47,57)/t24-,25-,26-,27-,28+,31-,32-/m0/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.41E+4n/an/an/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Binding affinity to HIV-1 protease


J Med Chem 37: 1769-78 (1994)

Checked by Author
Article DOI: 10.1021/jm00038a006
BindingDB Entry DOI: 10.7270/Q2BV7J4D
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50000562
PNG
(CHEMBL433483)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H]1CCCN1C[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(C)=O)C(C)C)C(N)=O
Show InChI InChI=1S/C38H60N10O10/c1-20(2)31(33(41)53)46-38(58)32(21(3)4)47-37(57)28-12-9-15-48(28)18-24(16-23-10-7-6-8-11-23)43-35(55)26(17-30(40)52)45-34(54)25(13-14-29(39)51)44-36(56)27(19-49)42-22(5)50/h6-8,10-11,20-21,24-28,31-32,49H,9,12-19H2,1-5H3,(H2,39,51)(H2,40,52)(H2,41,53)(H,42,50)(H,43,55)(H,44,56)(H,45,54)(H,46,58)(H,47,57)/t24-,25-,26-,27-,28+,31-,32-/m0/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.41E+4n/an/an/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Binding affinity to HIV-1 protease


J Med Chem 37: 1769-78 (1994)

Checked by Author
Article DOI: 10.1021/jm00038a006
BindingDB Entry DOI: 10.7270/Q2BV7J4D
More data for this
Ligand-Target Pair
EDNRB


(RAT)
BDBM50000553
PNG
((S)-3-{(S)-2-[(S)-2-Acetylamino-3-(3H-imidazol-4-y...)
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(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/C41H59N9O10/c1-8-22(5)34(39(57)48-32(41(59)60)15-25-18-43-28-13-11-10-12-27(25)28)50-40(58)35(23(6)9-2)49-38(56)31(17-33(52)53)47-36(54)29(14-21(3)4)46-37(55)30(45-24(7)51)16-26-19-42-20-44-26/h10-13,18-23,29-32,34-35,43H,8-9,14-17H2,1-7H3,(H,42,44)(H,45,51)(H,46,55)(H,47,54)(H,48,57)(H,49,56)(H,50,58)(H,52,53)(H,59,60)/t22-,23-,29-,30-,31-,32-,34-,35-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
n/an/a>5.00E+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))
BDBM50000553
PNG
((S)-3-{(S)-2-[(S)-2-Acetylamino-3-(3H-imidazol-4-y...)
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(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/C41H59N9O10/c1-8-22(5)34(39(57)48-32(41(59)60)15-25-18-43-28-13-11-10-12-27(25)28)50-40(58)35(23(6)9-2)49-38(56)31(17-33(52)53)47-36(54)29(14-21(3)4)46-37(55)30(45-24(7)51)16-26-19-42-20-44-26/h10-13,18-23,29-32,34-35,43H,8-9,14-17H2,1-7H3,(H,42,44)(H,45,51)(H,46,55)(H,47,54)(H,48,57)(H,49,56)(H,50,58)(H,52,53)(H,59,60)/t22-,23-,29-,30-,31-,32-,34-,35-/m0/s1
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
n/an/a>5.00E+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
EDNRB


(RAT)
BDBM50000566
PNG
((S)-3-{(S)-2-[(R)-2-Acetylamino-3-(3H-imidazol-4-y...)
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(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/C41H59N9O10/c1-8-22(5)34(39(57)48-32(41(59)60)15-25-18-43-28-13-11-10-12-27(25)28)50-40(58)35(23(6)9-2)49-38(56)31(17-33(52)53)47-36(54)29(14-21(3)4)46-37(55)30(45-24(7)51)16-26-19-42-20-44-26/h10-13,18-23,29-32,34-35,43H,8-9,14-17H2,1-7H3,(H,42,44)(H,45,51)(H,46,55)(H,47,54)(H,48,57)(H,49,56)(H,50,58)(H,52,53)(H,59,60)/t22-,23-,29-,30+,31-,32-,34-,35-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
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))
BDBM50000566
PNG
((S)-3-{(S)-2-[(R)-2-Acetylamino-3-(3H-imidazol-4-y...)
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(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/C41H59N9O10/c1-8-22(5)34(39(57)48-32(41(59)60)15-25-18-43-28-13-11-10-12-27(25)28)50-40(58)35(23(6)9-2)49-38(56)31(17-33(52)53)47-36(54)29(14-21(3)4)46-37(55)30(45-24(7)51)16-26-19-42-20-44-26/h10-13,18-23,29-32,34-35,43H,8-9,14-17H2,1-7H3,(H,42,44)(H,45,51)(H,46,55)(H,47,54)(H,48,57)(H,49,56)(H,50,58)(H,52,53)(H,59,60)/t22-,23-,29-,30+,31-,32-,34-,35-/m0/s1
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
n/an/a 8.90E+3n/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))
BDBM50000553
PNG
((S)-3-{(S)-2-[(S)-2-Acetylamino-3-(3H-imidazol-4-y...)
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(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/C41H59N9O10/c1-8-22(5)34(39(57)48-32(41(59)60)15-25-18-43-28-13-11-10-12-27(25)28)50-40(58)35(23(6)9-2)49-38(56)31(17-33(52)53)47-36(54)29(14-21(3)4)46-37(55)30(45-24(7)51)16-26-19-42-20-44-26/h10-13,18-23,29-32,34-35,43H,8-9,14-17H2,1-7H3,(H,42,44)(H,45,51)(H,46,55)(H,47,54)(H,48,57)(H,49,56)(H,50,58)(H,52,53)(H,59,60)/t22-,23-,29-,30-,31-,32-,34-,35-/m0/s1
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
n/an/a>5.00E+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
EDNRB


(RAT)
BDBM50000565
PNG
((S)-3-{(S)-2-[(S)-2-Amino-3-(3H-imidazol-4-yl)-pro...)
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](N)Cc1cnc[nH]1)[C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C39H57N9O9/c1-7-21(5)32(37(54)46-30(39(56)57)14-23-17-42-27-12-10-9-11-25(23)27)48-38(55)33(22(6)8-2)47-36(53)29(16-31(49)50)45-35(52)28(13-20(3)4)44-34(51)26(40)15-24-18-41-19-43-24/h9-12,17-22,26,28-30,32-33,42H,7-8,13-16,40H2,1-6H3,(H,41,43)(H,44,51)(H,45,52)(H,46,54)(H,47,53)(H,48,55)(H,49,50)(H,56,57)/t21-,22-,26-,28-,29-,30-,32-,33-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
n/an/a>5.00E+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)
BDBM50000553
PNG
((S)-3-{(S)-2-[(S)-2-Acetylamino-3-(3H-imidazol-4-y...)
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(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/C41H59N9O10/c1-8-22(5)34(39(57)48-32(41(59)60)15-25-18-43-28-13-11-10-12-27(25)28)50-40(58)35(23(6)9-2)49-38(56)31(17-33(52)53)47-36(54)29(14-21(3)4)46-37(55)30(45-24(7)51)16-26-19-42-20-44-26/h10-13,18-23,29-32,34-35,43H,8-9,14-17H2,1-7H3,(H,42,44)(H,45,51)(H,46,55)(H,47,54)(H,48,57)(H,49,56)(H,50,58)(H,52,53)(H,59,60)/t22-,23-,29-,30-,31-,32-,34-,35-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
n/an/a 4.30E+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
Endothelin-1 receptor


(Homo sapiens (Human))
BDBM50000565
PNG
((S)-3-{(S)-2-[(S)-2-Amino-3-(3H-imidazol-4-yl)-pro...)
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](N)Cc1cnc[nH]1)[C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C39H57N9O9/c1-7-21(5)32(37(54)46-30(39(56)57)14-23-17-42-27-12-10-9-11-25(23)27)48-38(55)33(22(6)8-2)47-36(53)29(16-31(49)50)45-35(52)28(13-20(3)4)44-34(51)26(40)15-24-18-41-19-43-24/h9-12,17-22,26,28-30,32-33,42H,7-8,13-16,40H2,1-6H3,(H,41,43)(H,44,51)(H,45,52)(H,46,54)(H,47,53)(H,48,55)(H,49,50)(H,56,57)/t21-,22-,26-,28-,29-,30-,32-,33-/m0/s1
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
n/an/a>5.00E+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
EDNRB


(RAT)
BDBM50000566
PNG
((S)-3-{(S)-2-[(R)-2-Acetylamino-3-(3H-imidazol-4-y...)
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(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/C41H59N9O10/c1-8-22(5)34(39(57)48-32(41(59)60)15-25-18-43-28-13-11-10-12-27(25)28)50-40(58)35(23(6)9-2)49-38(56)31(17-33(52)53)47-36(54)29(14-21(3)4)46-37(55)30(45-24(7)51)16-26-19-42-20-44-26/h10-13,18-23,29-32,34-35,43H,8-9,14-17H2,1-7H3,(H,42,44)(H,45,51)(H,46,55)(H,47,54)(H,48,57)(H,49,56)(H,50,58)(H,52,53)(H,59,60)/t22-,23-,29-,30+,31-,32-,34-,35-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
n/an/a 9.10E+3n/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
EDNRA


(RAT)
BDBM50000553
PNG
((S)-3-{(S)-2-[(S)-2-Acetylamino-3-(3H-imidazol-4-y...)
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(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/C41H59N9O10/c1-8-22(5)34(39(57)48-32(41(59)60)15-25-18-43-28-13-11-10-12-27(25)28)50-40(58)35(23(6)9-2)49-38(56)31(17-33(52)53)47-36(54)29(14-21(3)4)46-37(55)30(45-24(7)51)16-26-19-42-20-44-26/h10-13,18-23,29-32,34-35,43H,8-9,14-17H2,1-7H3,(H,42,44)(H,45,51)(H,46,55)(H,47,54)(H,48,57)(H,49,56)(H,50,58)(H,52,53)(H,59,60)/t22-,23-,29-,30-,31-,32-,34-,35-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 5.80E+4n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Compound was evaluated for the binding affinity to endothelin receptor in the rat heart ventricle.


J Med Chem 35: 1493-508 (1992)


Article DOI: 10.1021/jm00087a001
BindingDB Entry DOI: 10.7270/Q27M08KX
More data for this
Ligand-Target Pair
EDNRA


(RAT)
BDBM50000563
PNG
(3-{2-[2-Acetylamino-3-(3H-imidazol-4-yl)-propionyl...)
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(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/C41H59N9O10/c1-8-22(5)34(39(57)48-32(41(59)60)15-25-18-43-28-13-11-10-12-27(25)28)50-40(58)35(23(6)9-2)49-38(56)31(17-33(52)53)47-36(54)29(14-21(3)4)46-37(55)30(45-24(7)51)16-26-19-42-20-44-26/h10-13,18-23,29-32,34-35,43H,8-9,14-17H2,1-7H3,(H,42,44)(H,45,51)(H,46,55)(H,47,54)(H,48,57)(H,49,56)(H,50,58)(H,52,53)(H,59,60)/t22-,23-,29-,30-,31-,32-,34+,35-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.30E+4n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Compound was evaluated for the binding affinity to endothelin receptor in the rat heart ventricle.


J Med Chem 35: 1493-508 (1992)


Article DOI: 10.1021/jm00087a001
BindingDB Entry DOI: 10.7270/Q27M08KX
More data for this
Ligand-Target Pair
EDNRA


(RAT)
BDBM50000565
PNG
((S)-3-{(S)-2-[(S)-2-Amino-3-(3H-imidazol-4-yl)-pro...)
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](N)Cc1cnc[nH]1)[C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C39H57N9O9/c1-7-21(5)32(37(54)46-30(39(56)57)14-23-17-42-27-12-10-9-11-25(23)27)48-38(55)33(22(6)8-2)47-36(53)29(16-31(49)50)45-35(52)28(13-20(3)4)44-34(51)26(40)15-24-18-41-19-43-24/h9-12,17-22,26,28-30,32-33,42H,7-8,13-16,40H2,1-6H3,(H,41,43)(H,44,51)(H,45,52)(H,46,54)(H,47,53)(H,48,55)(H,49,50)(H,56,57)/t21-,22-,26-,28-,29-,30-,32-,33-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.40E+4n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Compound was evaluated for the binding affinity to endothelin receptor in the rat heart ventricle.


J Med Chem 35: 1493-508 (1992)


Article DOI: 10.1021/jm00087a001
BindingDB Entry DOI: 10.7270/Q27M08KX
More data for this
Ligand-Target Pair
EDNRA


(RAT)
BDBM50000566
PNG
((S)-3-{(S)-2-[(R)-2-Acetylamino-3-(3H-imidazol-4-y...)
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(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/C41H59N9O10/c1-8-22(5)34(39(57)48-32(41(59)60)15-25-18-43-28-13-11-10-12-27(25)28)50-40(58)35(23(6)9-2)49-38(56)31(17-33(52)53)47-36(54)29(14-21(3)4)46-37(55)30(45-24(7)51)16-26-19-42-20-44-26/h10-13,18-23,29-32,34-35,43H,8-9,14-17H2,1-7H3,(H,42,44)(H,45,51)(H,46,55)(H,47,54)(H,48,57)(H,49,56)(H,50,58)(H,52,53)(H,59,60)/t22-,23-,29-,30+,31-,32-,34-,35-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.70E+3n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Compound was evaluated for the binding affinity to endothelin receptor in the rat heart ventricle.


J Med Chem 35: 1493-508 (1992)


Article DOI: 10.1021/jm00087a001
BindingDB Entry DOI: 10.7270/Q27M08KX
More data for this
Ligand-Target Pair
EDNRB


(Homo sapiens (Human))
BDBM50000733
PNG
(CHEMBL302776 | [14-(1H-Indol-3-ylmethyl)-11-isobut...)
Show SMILES CC(C)C[C@@H]1NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O)C(C)C
Show InChI InChI=1S/C29H40N6O7/c1-14(2)10-20-27(40)32-21(11-17-13-30-19-9-7-6-8-18(17)19)28(41)33-22(12-23(36)37)26(39)31-16(5)25(38)35-24(15(3)4)29(42)34-20/h6-9,13-16,20-22,24,30H,10-12H2,1-5H3,(H,31,39)(H,32,40)(H,33,41)(H,34,42)(H,35,38)(H,36,37)/t16-,20-,21+,22-,24-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

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



TBA

Curated by ChEMBL


Assay Description
Binding activity against Endothelin B receptor 0f Porcine cerebellum membranes


J Med Chem 35: 2139-42 (1992)


Article DOI: 10.1021/jm00089a028
BindingDB Entry DOI: 10.7270/Q2CR5TZ0
More data for this
Ligand-Target Pair
EDNRB


(Homo sapiens (Human))
BDBM50000734
PNG
(CHEMBL308208 | [14-(1H-Indol-3-ylmethyl)-5-isoprop...)
Show SMILES CC(C)[C@@H]1NC(=O)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCN2C1=O
Show InChI InChI=1S/C28H36N6O7/c1-14(2)23-28(41)34-10-6-9-21(34)27(40)32-19(11-16-13-29-18-8-5-4-7-17(16)18)26(39)31-20(12-22(35)36)25(38)30-15(3)24(37)33-23/h4-5,7-8,13-15,19-21,23,29H,6,9-12H2,1-3H3,(H,30,38)(H,31,39)(H,32,40)(H,33,37)(H,35,36)/t15-,19+,20-,21-,23-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

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



TBA

Curated by ChEMBL


Assay Description
Binding activity against Endothelin B receptor 0f Porcine cerebellum membranes


J Med Chem 35: 2139-42 (1992)


Article DOI: 10.1021/jm00089a028
BindingDB Entry DOI: 10.7270/Q2CR5TZ0
More data for this
Ligand-Target Pair
EDNRB


(Homo sapiens (Human))
BDBM50000735
PNG
(CHEMBL303204 | [14-(1H-Indol-3-ylmethyl)-11-isobut...)
Show SMILES CC(C)C[C@@H]1NC(=O)[C@@H](NC(=O)[C@H](C)N(C)C(=O)[C@H](CC(O)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O)C(C)C
Show InChI InChI=1S/C30H42N6O7/c1-15(2)11-21-27(40)32-22(12-18-14-31-20-10-8-7-9-19(18)20)28(41)34-23(13-24(37)38)30(43)36(6)17(5)26(39)35-25(16(3)4)29(42)33-21/h7-10,14-17,21-23,25,31H,11-13H2,1-6H3,(H,32,40)(H,33,42)(H,34,41)(H,35,39)(H,37,38)/t17-,21-,22+,23-,25-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.70E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding activity against Endothelin B receptor 0f Porcine cerebellum membranes


J Med Chem 35: 2139-42 (1992)


Article DOI: 10.1021/jm00089a028
BindingDB Entry DOI: 10.7270/Q2CR5TZ0
More data for this
Ligand-Target Pair
EDNRB


(Homo sapiens (Human))
BDBM50000737
PNG
(CHEMBL303185 | [8-(1H-Indol-3-ylmethyl)-11-isobuty...)
Show SMILES CC(C)C[C@@H]1NC(=O)[C@@H](NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(O)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O)C(C)C
Show InChI InChI=1S/C31H42N6O7/c1-16(2)12-21-27(40)33-22(13-18-15-32-20-9-6-5-8-19(18)20)28(41)35-23(14-25(38)39)31(44)37-11-7-10-24(37)29(42)36-26(17(3)4)30(43)34-21/h5-6,8-9,15-17,21-24,26,32H,7,10-14H2,1-4H3,(H,33,40)(H,34,43)(H,35,41)(H,36,42)(H,38,39)/t21-,22+,23-,24-,26-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.80E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding activity against Endothelin B receptor 0f Porcine cerebellum membranes


J Med Chem 35: 2139-42 (1992)


Article DOI: 10.1021/jm00089a028
BindingDB Entry DOI: 10.7270/Q2CR5TZ0
More data for this
Ligand-Target Pair
EDNRB


(Homo sapiens (Human))
BDBM50000739
PNG
(CHEMBL307324 | [8-(1H-Indol-3-ylmethyl)-11-isobuty...)
Show SMILES CC(C)C[C@@H]1N(C)C(=O)[C@@H](NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(O)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O)C(C)C
Show InChI InChI=1S/C32H44N6O7/c1-17(2)13-25-30(43)34-22(14-19-16-33-21-10-7-6-9-20(19)21)28(41)35-23(15-26(39)40)31(44)38-12-8-11-24(38)29(42)36-27(18(3)4)32(45)37(25)5/h6-7,9-10,16-18,22-25,27,33H,8,11-15H2,1-5H3,(H,34,43)(H,35,41)(H,36,42)(H,39,40)/t22-,23+,24+,25+,27+/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

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



TBA

Curated by ChEMBL


Assay Description
Binding activity against Endothelin B receptor 0f Porcine cerebellum membranes


J Med Chem 35: 2139-42 (1992)


Article DOI: 10.1021/jm00089a028
BindingDB Entry DOI: 10.7270/Q2CR5TZ0
More data for this
Ligand-Target Pair
EDNRB


(Homo sapiens (Human))
BDBM50000741
PNG
(CHEMBL293874 | [14-(1H-Indol-3-ylmethyl)-11-isobut...)
Show SMILES CC(C)C[C@@H]1NC(=O)[C@@H](NC(=O)CN(C)C(=O)[C@H](CC(O)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O)C(C)C
Show InChI InChI=1S/C29H40N6O7/c1-15(2)10-20-26(39)31-21(11-17-13-30-19-9-7-6-8-18(17)19)27(40)33-22(12-24(37)38)29(42)35(5)14-23(36)34-25(16(3)4)28(41)32-20/h6-9,13,15-16,20-22,25,30H,10-12,14H2,1-5H3,(H,31,39)(H,32,41)(H,33,40)(H,34,36)(H,37,38)/t20-,21+,22-,25-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding activity against Endothelin B receptor 0f Porcine cerebellum membranes


J Med Chem 35: 2139-42 (1992)


Article DOI: 10.1021/jm00089a028
BindingDB Entry DOI: 10.7270/Q2CR5TZ0
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))
BDBM50001214
PNG
(3-{2-[2-Acetylamino-3-(3H-imidazol-4-yl)-propionyl...)
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]cn1)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/C41H59N9O10/c1-8-22(5)34(39(57)48-32(41(59)60)15-25-18-43-28-13-11-10-12-27(25)28)50-40(58)35(23(6)9-2)49-38(56)31(17-33(52)53)47-36(54)29(14-21(3)4)46-37(55)30(45-24(7)51)16-26-19-42-20-44-26/h10-13,18-23,29-32,34-35,43H,8-9,14-17H2,1-7H3,(H,42,44)(H,45,51)(H,46,55)(H,47,54)(H,48,57)(H,49,56)(H,50,58)(H,52,53)(H,59,60)/t22-,23-,29-,30-,31-,32-,34-,35-/m0/s1
UniProtKB/SwissProt

GoogleScholar
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>5.00E+4n/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)
BDBM50001215
PNG
(3-{2-[2-Acetylamino-3-(3H-imidazol-4-yl)-propionyl...)
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]cn1)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/C41H59N9O10/c1-8-22(5)34(39(57)48-32(41(59)60)15-25-18-43-28-13-11-10-12-27(25)28)50-40(58)35(23(6)9-2)49-38(56)31(17-33(52)53)47-36(54)29(14-21(3)4)46-37(55)30(45-24(7)51)16-26-19-42-20-44-26/h10-13,18-23,29-32,34-35,43H,8-9,14-17H2,1-7H3,(H,42,44)(H,45,51)(H,46,55)(H,47,54)(H,48,57)(H,49,56)(H,50,58)(H,52,53)(H,59,60)/t22-,23-,29-,30+,31-,32-,34-,35-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.00E+4n/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))
BDBM50001216
PNG
(3-{2-[2-Amino-3-(1H-imidazol-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](N)Cc1c[nH]cn1)[C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C39H57N9O9/c1-7-21(5)32(37(54)46-30(39(56)57)14-23-17-42-27-12-10-9-11-25(23)27)48-38(55)33(22(6)8-2)47-36(53)29(16-31(49)50)45-35(52)28(13-20(3)4)44-34(51)26(40)15-24-18-41-19-43-24/h9-12,17-22,26,28-30,32-33,42H,7-8,13-16,40H2,1-6H3,(H,41,43)(H,44,51)(H,45,52)(H,46,54)(H,47,53)(H,48,55)(H,49,50)(H,56,57)/t21-,22-,26-,28-,29-,30-,32-,33-/m0/s1
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>5.00E+4n/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)
BDBM50001216
PNG
(3-{2-[2-Amino-3-(1H-imidazol-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](N)Cc1c[nH]cn1)[C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C39H57N9O9/c1-7-21(5)32(37(54)46-30(39(56)57)14-23-17-42-27-12-10-9-11-25(23)27)48-38(55)33(22(6)8-2)47-36(53)29(16-31(49)50)45-35(52)28(13-20(3)4)44-34(51)26(40)15-24-18-41-19-43-24/h9-12,17-22,26,28-30,32-33,42H,7-8,13-16,40H2,1-6H3,(H,41,43)(H,44,51)(H,45,52)(H,46,54)(H,47,53)(H,48,55)(H,49,50)(H,56,57)/t21-,22-,26-,28-,29-,30-,32-,33-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>5.00E+4n/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
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
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
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
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))
BDBM50001215
PNG
(3-{2-[2-Acetylamino-3-(3H-imidazol-4-yl)-propionyl...)
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]cn1)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/C41H59N9O10/c1-8-22(5)34(39(57)48-32(41(59)60)15-25-18-43-28-13-11-10-12-27(25)28)50-40(58)35(23(6)9-2)49-38(56)31(17-33(52)53)47-36(54)29(14-21(3)4)46-37(55)30(45-24(7)51)16-26-19-42-20-44-26/h10-13,18-23,29-32,34-35,43H,8-9,14-17H2,1-7H3,(H,42,44)(H,45,51)(H,46,55)(H,47,54)(H,48,57)(H,49,56)(H,50,58)(H,52,53)(H,59,60)/t22-,23-,29-,30+,31-,32-,34-,35-/m0/s1
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 9.50E+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)
BDBM50001214
PNG
(3-{2-[2-Acetylamino-3-(3H-imidazol-4-yl)-propionyl...)
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]cn1)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/C41H59N9O10/c1-8-22(5)34(39(57)48-32(41(59)60)15-25-18-43-28-13-11-10-12-27(25)28)50-40(58)35(23(6)9-2)49-38(56)31(17-33(52)53)47-36(54)29(14-21(3)4)46-37(55)30(45-24(7)51)16-26-19-42-20-44-26/h10-13,18-23,29-32,34-35,43H,8-9,14-17H2,1-7H3,(H,42,44)(H,45,51)(H,46,55)(H,47,54)(H,48,57)(H,49,56)(H,50,58)(H,52,53)(H,59,60)/t22-,23-,29-,30-,31-,32-,34-,35-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.30E+4n/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 receptor


(RAT)
BDBM50000566
PNG
((S)-3-{(S)-2-[(R)-2-Acetylamino-3-(3H-imidazol-4-y...)
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(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/C41H59N9O10/c1-8-22(5)34(39(57)48-32(41(59)60)15-25-18-43-28-13-11-10-12-27(25)28)50-40(58)35(23(6)9-2)49-38(56)31(17-33(52)53)47-36(54)29(14-21(3)4)46-37(55)30(45-24(7)51)16-26-19-42-20-44-26/h10-13,18-23,29-32,34-35,43H,8-9,14-17H2,1-7H3,(H,42,44)(H,45,51)(H,46,55)(H,47,54)(H,48,57)(H,49,56)(H,50,58)(H,52,53)(H,59,60)/t22-,23-,29-,30+,31-,32-,34-,35-/m0/s1
MMDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.50E+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)
BDBM50001214
PNG
(3-{2-[2-Acetylamino-3-(3H-imidazol-4-yl)-propionyl...)
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]cn1)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/C41H59N9O10/c1-8-22(5)34(39(57)48-32(41(59)60)15-25-18-43-28-13-11-10-12-27(25)28)50-40(58)35(23(6)9-2)49-38(56)31(17-33(52)53)47-36(54)29(14-21(3)4)46-37(55)30(45-24(7)51)16-26-19-42-20-44-26/h10-13,18-23,29-32,34-35,43H,8-9,14-17H2,1-7H3,(H,42,44)(H,45,51)(H,46,55)(H,47,54)(H,48,57)(H,49,56)(H,50,58)(H,52,53)(H,59,60)/t22-,23-,29-,30-,31-,32-,34-,35-/m0/s1
MMDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 5.80E+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
Endothelin-1 receptor


(Homo sapiens (Human))
BDBM50000566
PNG
((S)-3-{(S)-2-[(R)-2-Acetylamino-3-(3H-imidazol-4-y...)
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(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/C41H59N9O10/c1-8-22(5)34(39(57)48-32(41(59)60)15-25-18-43-28-13-11-10-12-27(25)28)50-40(58)35(23(6)9-2)49-38(56)31(17-33(52)53)47-36(54)29(14-21(3)4)46-37(55)30(45-24(7)51)16-26-19-42-20-44-26/h10-13,18-23,29-32,34-35,43H,8-9,14-17H2,1-7H3,(H,42,44)(H,45,51)(H,46,55)(H,47,54)(H,48,57)(H,49,56)(H,50,58)(H,52,53)(H,59,60)/t22-,23-,29-,30+,31-,32-,34-,35-/m0/s1
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
n/an/a 9.50E+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
Endothelin receptor


(RAT)
BDBM50000566
PNG
((S)-3-{(S)-2-[(R)-2-Acetylamino-3-(3H-imidazol-4-y...)
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(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/C41H59N9O10/c1-8-22(5)34(39(57)48-32(41(59)60)15-25-18-43-28-13-11-10-12-27(25)28)50-40(58)35(23(6)9-2)49-38(56)31(17-33(52)53)47-36(54)29(14-21(3)4)46-37(55)30(45-24(7)51)16-26-19-42-20-44-26/h10-13,18-23,29-32,34-35,43H,8-9,14-17H2,1-7H3,(H,42,44)(H,45,51)(H,46,55)(H,47,54)(H,48,57)(H,49,56)(H,50,58)(H,52,53)(H,59,60)/t22-,23-,29-,30+,31-,32-,34-,35-/m0/s1
MMDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.10E+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-1 receptor


(Homo sapiens (Human))
BDBM50000566
PNG
((S)-3-{(S)-2-[(R)-2-Acetylamino-3-(3H-imidazol-4-y...)
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(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/C41H59N9O10/c1-8-22(5)34(39(57)48-32(41(59)60)15-25-18-43-28-13-11-10-12-27(25)28)50-40(58)35(23(6)9-2)49-38(56)31(17-33(52)53)47-36(54)29(14-21(3)4)46-37(55)30(45-24(7)51)16-26-19-42-20-44-26/h10-13,18-23,29-32,34-35,43H,8-9,14-17H2,1-7H3,(H,42,44)(H,45,51)(H,46,55)(H,47,54)(H,48,57)(H,49,56)(H,50,58)(H,52,53)(H,59,60)/t22-,23-,29-,30+,31-,32-,34-,35-/m0/s1
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 8.90E+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)
BDBM50000566
PNG
((S)-3-{(S)-2-[(R)-2-Acetylamino-3-(3H-imidazol-4-y...)
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(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/C41H59N9O10/c1-8-22(5)34(39(57)48-32(41(59)60)15-25-18-43-28-13-11-10-12-27(25)28)50-40(58)35(23(6)9-2)49-38(56)31(17-33(52)53)47-36(54)29(14-21(3)4)46-37(55)30(45-24(7)51)16-26-19-42-20-44-26/h10-13,18-23,29-32,34-35,43H,8-9,14-17H2,1-7H3,(H,42,44)(H,45,51)(H,46,55)(H,47,54)(H,48,57)(H,49,56)(H,50,58)(H,52,53)(H,59,60)/t22-,23-,29-,30+,31-,32-,34-,35-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 9.10E+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