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PubMed code 9873522

Compile data set for download or QSAR
Found 8 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
EDNRB


(Homo sapiens (Human))
BDBM50071425
PNG
(CHEMBL311854 | N-[(R)-1-[(S)-1-(Butane-1-sulfonyla...)
Show SMILES CCCCS(=O)(=O)NC(=O)[C@@H](NC(=O)[C@@H](Cc1ccc(cc1)-c1ccno1)N(C)C(=O)c1cc(C)cc(C)c1)C(C)C
Show InChI InChI=1S/C31H40N4O6S/c1-7-8-15-42(39,40)34-30(37)28(20(2)3)33-29(36)26(35(6)31(38)25-17-21(4)16-22(5)18-25)19-23-9-11-24(12-10-23)27-13-14-32-41-27/h9-14,16-18,20,26,28H,7-8,15,19H2,1-6H3,(H,33,36)(H,34,37)/t26-,28+/m1/s1
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Article
PubMed
1.20n/an/an/an/an/an/an/an/a



Takarazuka Research Institute

Curated by ChEMBL


Assay Description
Compound was tested for the binding affinity against Endothelin B receptor


Bioorg Med Chem Lett 8: 2247-52 (1999)


Article DOI: 10.1016/s0960-894x(98)00388-6
BindingDB Entry DOI: 10.7270/Q26M3609
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))
BDBM50071425
PNG
(CHEMBL311854 | N-[(R)-1-[(S)-1-(Butane-1-sulfonyla...)
Show SMILES CCCCS(=O)(=O)NC(=O)[C@@H](NC(=O)[C@@H](Cc1ccc(cc1)-c1ccno1)N(C)C(=O)c1cc(C)cc(C)c1)C(C)C
Show InChI InChI=1S/C31H40N4O6S/c1-7-8-15-42(39,40)34-30(37)28(20(2)3)33-29(36)26(35(6)31(38)25-17-21(4)16-22(5)18-25)19-23-9-11-24(12-10-23)27-13-14-32-41-27/h9-14,16-18,20,26,28H,7-8,15,19H2,1-6H3,(H,33,36)(H,34,37)/t26-,28+/m1/s1
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Article
PubMed
1.5n/an/an/an/an/an/an/an/a



Takarazuka Research Institute

Curated by ChEMBL


Assay Description
Compound was tested for the binding affinity against Endothelin A receptor


Bioorg Med Chem Lett 8: 2247-52 (1999)


Article DOI: 10.1016/s0960-894x(98)00388-6
BindingDB Entry DOI: 10.7270/Q26M3609
More data for this
Ligand-Target Pair
EDNRB


(Homo sapiens (Human))
BDBM50071447
PNG
(CHEMBL310919 | N-[(R)-1-[(R)-1-(Butane-1-sulfonyla...)
Show SMILES CCCCS(=O)(=O)NC(=O)[C@H](NC(=O)[C@@H](Cc1ccc(cc1)-c1ccno1)N(C)C(=O)c1cc(C)cc(C)c1)C(C)C
Show InChI InChI=1S/C31H40N4O6S/c1-7-8-15-42(39,40)34-30(37)28(20(2)3)33-29(36)26(35(6)31(38)25-17-21(4)16-22(5)18-25)19-23-9-11-24(12-10-23)27-13-14-32-41-27/h9-14,16-18,20,26,28H,7-8,15,19H2,1-6H3,(H,33,36)(H,34,37)/t26-,28-/m1/s1
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Article
PubMed
24n/an/an/an/an/an/an/an/a



Takarazuka Research Institute

Curated by ChEMBL


Assay Description
Compound was tested for the binding affinity against Endothelin B receptor


Bioorg Med Chem Lett 8: 2247-52 (1999)


Article DOI: 10.1016/s0960-894x(98)00388-6
BindingDB Entry DOI: 10.7270/Q26M3609
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))
BDBM50071447
PNG
(CHEMBL310919 | N-[(R)-1-[(R)-1-(Butane-1-sulfonyla...)
Show SMILES CCCCS(=O)(=O)NC(=O)[C@H](NC(=O)[C@@H](Cc1ccc(cc1)-c1ccno1)N(C)C(=O)c1cc(C)cc(C)c1)C(C)C
Show InChI InChI=1S/C31H40N4O6S/c1-7-8-15-42(39,40)34-30(37)28(20(2)3)33-29(36)26(35(6)31(38)25-17-21(4)16-22(5)18-25)19-23-9-11-24(12-10-23)27-13-14-32-41-27/h9-14,16-18,20,26,28H,7-8,15,19H2,1-6H3,(H,33,36)(H,34,37)/t26-,28-/m1/s1
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PC cid
PC sid
UniChem

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Article
PubMed
850n/an/an/an/an/an/an/an/a



Takarazuka Research Institute

Curated by ChEMBL


Assay Description
Compound was tested for the binding affinity against Endothelin A receptor


Bioorg Med Chem Lett 8: 2247-52 (1999)


Article DOI: 10.1016/s0960-894x(98)00388-6
BindingDB Entry DOI: 10.7270/Q26M3609
More data for this
Ligand-Target Pair
EDNRB


(Homo sapiens (Human))
BDBM50071448
PNG
(CHEMBL307033 | N-[(S)-1-[(S)-1-(Butane-1-sulfonyla...)
Show SMILES CCCCS(=O)(=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(cc1)-c1ccno1)N(C)C(=O)c1cc(C)cc(C)c1)C(C)C
Show InChI InChI=1S/C31H40N4O6S/c1-7-8-15-42(39,40)34-30(37)28(20(2)3)33-29(36)26(35(6)31(38)25-17-21(4)16-22(5)18-25)19-23-9-11-24(12-10-23)27-13-14-32-41-27/h9-14,16-18,20,26,28H,7-8,15,19H2,1-6H3,(H,33,36)(H,34,37)/t26-,28-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
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PC cid
PC sid
UniChem

Similars

Article
PubMed
1.20E+3n/an/an/an/an/an/an/an/a



Takarazuka Research Institute

Curated by ChEMBL


Assay Description
Compound was tested for the binding affinity against Endothelin B receptor


Bioorg Med Chem Lett 8: 2247-52 (1999)


Article DOI: 10.1016/s0960-894x(98)00388-6
BindingDB Entry DOI: 10.7270/Q26M3609
More data for this
Ligand-Target Pair
EDNRB


(Homo sapiens (Human))
BDBM50071446
PNG
(CHEMBL72295 | N-[(S)-1-[(R)-1-(Butane-1-sulfonylam...)
Show SMILES CCCCS(=O)(=O)NC(=O)[C@H](NC(=O)[C@H](Cc1ccc(cc1)-c1ccno1)N(C)C(=O)c1cc(C)cc(C)c1)C(C)C
Show InChI InChI=1S/C31H40N4O6S/c1-7-8-15-42(39,40)34-30(37)28(20(2)3)33-29(36)26(35(6)31(38)25-17-21(4)16-22(5)18-25)19-23-9-11-24(12-10-23)27-13-14-32-41-27/h9-14,16-18,20,26,28H,7-8,15,19H2,1-6H3,(H,33,36)(H,34,37)/t26-,28+/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.20E+3n/an/an/an/an/an/an/an/a



Takarazuka Research Institute

Curated by ChEMBL


Assay Description
Compound was tested for the binding affinity against Endothelin B receptor


Bioorg Med Chem Lett 8: 2247-52 (1999)


Article DOI: 10.1016/s0960-894x(98)00388-6
BindingDB Entry DOI: 10.7270/Q26M3609
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))
BDBM50071448
PNG
(CHEMBL307033 | N-[(S)-1-[(S)-1-(Butane-1-sulfonyla...)
Show SMILES CCCCS(=O)(=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(cc1)-c1ccno1)N(C)C(=O)c1cc(C)cc(C)c1)C(C)C
Show InChI InChI=1S/C31H40N4O6S/c1-7-8-15-42(39,40)34-30(37)28(20(2)3)33-29(36)26(35(6)31(38)25-17-21(4)16-22(5)18-25)19-23-9-11-24(12-10-23)27-13-14-32-41-27/h9-14,16-18,20,26,28H,7-8,15,19H2,1-6H3,(H,33,36)(H,34,37)/t26-,28-/m0/s1
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
6.80E+3n/an/an/an/an/an/an/an/a



Takarazuka Research Institute

Curated by ChEMBL


Assay Description
Compound was tested for the binding affinity against Endothelin A receptor


Bioorg Med Chem Lett 8: 2247-52 (1999)


Article DOI: 10.1016/s0960-894x(98)00388-6
BindingDB Entry DOI: 10.7270/Q26M3609
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))
BDBM50071446
PNG
(CHEMBL72295 | N-[(S)-1-[(R)-1-(Butane-1-sulfonylam...)
Show SMILES CCCCS(=O)(=O)NC(=O)[C@H](NC(=O)[C@H](Cc1ccc(cc1)-c1ccno1)N(C)C(=O)c1cc(C)cc(C)c1)C(C)C
Show InChI InChI=1S/C31H40N4O6S/c1-7-8-15-42(39,40)34-30(37)28(20(2)3)33-29(36)26(35(6)31(38)25-17-21(4)16-22(5)18-25)19-23-9-11-24(12-10-23)27-13-14-32-41-27/h9-14,16-18,20,26,28H,7-8,15,19H2,1-6H3,(H,33,36)(H,34,37)/t26-,28+/m0/s1
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.70E+4n/an/an/an/an/an/an/an/a



Takarazuka Research Institute

Curated by ChEMBL


Assay Description
Compound was tested for the binding affinity against Endothelin A receptor


Bioorg Med Chem Lett 8: 2247-52 (1999)


Article DOI: 10.1016/s0960-894x(98)00388-6
BindingDB Entry DOI: 10.7270/Q26M3609
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%