Found 42 hits of Enzyme Inhibition Constant Data Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Integrin alpha-L/Integrin beta-2/Intercellular adhesion molecule 1
(Homo sapiens (Human)) | BDBM50125195
((S)-2-(2-Bromo-benzoylamino)-3-(3H-imidazol-4-yl)-...)Show InChI InChI=1S/C13H12BrN3O3/c14-10-4-2-1-3-9(10)12(18)17-11(13(19)20)5-8-6-15-7-16-8/h1-4,6-7,11H,5H2,(H,15,16)(H,17,18)(H,19,20)/t11-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 750 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Potency on ETA receptor assessed by inhibition of the contraction induced by ET-1 in rat aortic rings |
Bioorg Med Chem Lett 13: 1015-8 (2003)
BindingDB Entry DOI: 10.7270/Q2K35V6V |
More data for this
Ligand-Target Pair | |
Integrin alpha-L/Integrin beta-2/Intercellular adhesion molecule 1
(Homo sapiens (Human)) | BDBM50125215
((S)-2-(2-Bromo-benzoylamino)-succinamic acid | CHE...)Show InChI InChI=1S/C11H11BrN2O4/c12-7-4-2-1-3-6(7)10(16)14-8(11(17)18)5-9(13)15/h1-4,8H,5H2,(H2,13,15)(H,14,16)(H,17,18)/t8-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 1.08E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
In vitro inhibitory potency for preventing sarafotoxin S6c induced constriction of rat tracheal rings (ETB receptor) |
Bioorg Med Chem Lett 13: 1015-8 (2003)
BindingDB Entry DOI: 10.7270/Q2K35V6V |
More data for this
Ligand-Target Pair | |
Integrin alpha-L/Integrin beta-2/Intercellular adhesion molecule 1
(Homo sapiens (Human)) | BDBM50125208
((S)-2-(2-Bromo-benzoylamino)-3-(4-hydroxy-phenyl)-...)Show InChI InChI=1S/C16H14BrNO4/c17-13-4-2-1-3-12(13)15(20)18-14(16(21)22)9-10-5-7-11(19)8-6-10/h1-8,14,19H,9H2,(H,18,20)(H,21,22)/t14-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 1.09E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
In vitro inhibitory potency for preventing sarafotoxin S6c induced constriction of rat tracheal rings (ETB receptor) |
Bioorg Med Chem Lett 13: 1015-8 (2003)
BindingDB Entry DOI: 10.7270/Q2K35V6V |
More data for this
Ligand-Target Pair | |
Integrin alpha-L/Integrin beta-2/Intercellular adhesion molecule 1
(Homo sapiens (Human)) | BDBM50125221
((S)-6-Amino-2-(2-bromo-benzoylamino)-hexanoic acid...)Show InChI InChI=1S/C13H17BrN2O3/c14-10-6-2-1-5-9(10)12(17)16-11(13(18)19)7-3-4-8-15/h1-2,5-6,11H,3-4,7-8,15H2,(H,16,17)(H,18,19)/t11-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 1.21E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Potency on ETA receptor assessed by inhibition of the contraction induced by ET-1 in rat aortic rings |
Bioorg Med Chem Lett 13: 1015-8 (2003)
BindingDB Entry DOI: 10.7270/Q2K35V6V |
More data for this
Ligand-Target Pair | |
Integrin alpha-L/Integrin beta-2/Intercellular adhesion molecule 1
(Homo sapiens (Human)) | BDBM50125228
((S)-2-(2-Bromo-benzoylamino)-3-(1H-indol-3-yl)-pro...)Show SMILES OC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccccc1Br Show InChI InChI=1S/C18H15BrN2O3/c19-14-7-3-1-6-13(14)17(22)21-16(18(23)24)9-11-10-20-15-8-4-2-5-12(11)15/h1-8,10,16,20H,9H2,(H,21,22)(H,23,24)/t16-/m0/s1 | PDB
UniProtKB/SwissProt
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PC cid
PC sid
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Similars
| PubMed
| n/a | n/a | 1.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
In vitro inhibitory potency for preventing ET-1 induced constriction of rat aortic rings (ETA receptor) |
Bioorg Med Chem Lett 13: 1015-8 (2003)
BindingDB Entry DOI: 10.7270/Q2K35V6V |
More data for this
Ligand-Target Pair | |
Integrin alpha-L/Integrin beta-2/Intercellular adhesion molecule 1
(Homo sapiens (Human)) | BDBM50125194
((S)-2-(2-Bromo-benzoylamino)-4-carbamoyl-butyric a...)Show InChI InChI=1S/C12H13BrN2O4/c13-8-4-2-1-3-7(8)11(17)15-9(12(18)19)5-6-10(14)16/h1-4,9H,5-6H2,(H2,14,16)(H,15,17)(H,18,19)/t9-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
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antibodypedia
GoogleScholar
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| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 1.77E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Potency on ETA receptor assessed by inhibition of the contraction induced by ET-1 in rat aortic rings |
Bioorg Med Chem Lett 13: 1015-8 (2003)
BindingDB Entry DOI: 10.7270/Q2K35V6V |
More data for this
Ligand-Target Pair | |
Integrin alpha-L/Integrin beta-2/Intercellular adhesion molecule 1
(Homo sapiens (Human)) | BDBM50125232
((S)-2-(2-Bromo-benzoylamino)-5-guanidino-pentanoic...)Show InChI InChI=1S/C13H17BrN4O3/c14-9-5-2-1-4-8(9)11(19)18-10(12(20)21)6-3-7-17-13(15)16/h1-2,4-5,10H,3,6-7H2,(H,18,19)(H,20,21)(H4,15,16,17)/t10-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
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| CHEMBL
KEGG
PC cid
PC sid
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Similars
| PubMed
| n/a | n/a | 2.71E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Potency on ETA receptor assessed by inhibition of the contraction induced by ET-1 in rat aortic rings |
Bioorg Med Chem Lett 13: 1015-8 (2003)
BindingDB Entry DOI: 10.7270/Q2K35V6V |
More data for this
Ligand-Target Pair | |
Integrin alpha-L/Integrin beta-2/Intercellular adhesion molecule 1
(Homo sapiens (Human)) | BDBM50125196
((S)-2-(2-Bromo-benzoylamino)-3-(5-methoxy-1H-indol...)Show SMILES COc1ccc2[nH]cc(C[C@H](NC(=O)c3ccccc3Br)C(O)=O)c2c1 Show InChI InChI=1S/C19H17BrN2O4/c1-26-12-6-7-16-14(9-12)11(10-21-16)8-17(19(24)25)22-18(23)13-4-2-3-5-15(13)20/h2-7,9-10,17,21H,8H2,1H3,(H,22,23)(H,24,25)/t17-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 2.77E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
In vitro inhibitory potency for preventing ET-1 induced constriction of rat aortic rings (ETA receptor) |
Bioorg Med Chem Lett 13: 1015-8 (2003)
BindingDB Entry DOI: 10.7270/Q2K35V6V |
More data for this
Ligand-Target Pair | |
Integrin alpha-L/Integrin beta-2/Intercellular adhesion molecule 1
(Homo sapiens (Human)) | BDBM50366858
(CHEMBL1793834)Show InChI InChI=1S/C11H12BrNO4/c1-6(14)9(11(16)17)13-10(15)7-4-2-3-5-8(7)12/h2-6,9,14H,1H3,(H,13,15)(H,16,17)/t6-,9+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 3.84E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
In vitro inhibitory potency for preventing ET-1 induced constriction of rat aortic rings (ETA receptor) |
Bioorg Med Chem Lett 13: 1015-8 (2003)
BindingDB Entry DOI: 10.7270/Q2K35V6V |
More data for this
Ligand-Target Pair | |
Integrin alpha-L/Integrin beta-2/Intercellular adhesion molecule 1
(Homo sapiens (Human)) | BDBM50125220
((R)-2-(2-Bromo-benzoylamino)-3-mercapto-propionic ...)Show InChI InChI=1S/C10H10BrNO3S/c11-7-4-2-1-3-6(7)9(13)12-8(5-16)10(14)15/h1-4,8,16H,5H2,(H,12,13)(H,14,15)/t8-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 4.26E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
In vitro inhibitory potency for preventing sarafotoxin S6c induced constriction of rat tracheal rings (ETB receptor) |
Bioorg Med Chem Lett 13: 1015-8 (2003)
BindingDB Entry DOI: 10.7270/Q2K35V6V |
More data for this
Ligand-Target Pair | |
Integrin alpha-L/Integrin beta-2/Intercellular adhesion molecule 1
(Homo sapiens (Human)) | BDBM50125217
((S)-2-(2-Bromo-benzoylamino)-3-phenyl-propionic ac...)Show InChI InChI=1S/C16H14BrNO3/c17-13-9-5-4-8-12(13)15(19)18-14(16(20)21)10-11-6-2-1-3-7-11/h1-9,14H,10H2,(H,18,19)(H,20,21)/t14-/m0/s1 | PDB
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antibodypedia
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PC cid
PC sid
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| PubMed
| n/a | n/a | 4.89E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Potency on ETA receptor assessed by inhibition of the contraction induced by ET-1 in rat aortic rings |
Bioorg Med Chem Lett 13: 1015-8 (2003)
BindingDB Entry DOI: 10.7270/Q2K35V6V |
More data for this
Ligand-Target Pair | |
Integrin alpha-L/Integrin beta-2/Intercellular adhesion molecule 1
(Homo sapiens (Human)) | BDBM50125206
((S)-2-(2-Bromo-benzoylamino)-4-phenyl-butyric acid...)Show InChI InChI=1S/C17H16BrNO3/c18-14-9-5-4-8-13(14)16(20)19-15(17(21)22)11-10-12-6-2-1-3-7-12/h1-9,15H,10-11H2,(H,19,20)(H,21,22)/t15-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 5.09E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
In vitro inhibitory potency for preventing ET-1 induced constriction of rat aortic rings (ETA receptor) |
Bioorg Med Chem Lett 13: 1015-8 (2003)
BindingDB Entry DOI: 10.7270/Q2K35V6V |
More data for this
Ligand-Target Pair | |
Integrin alpha-L/Integrin beta-2/Intercellular adhesion molecule 1
(Homo sapiens (Human)) | BDBM50125198
((S)-2-(2-Bromo-benzoylamino)-3-thiophen-2-yl-propi...)Show InChI InChI=1S/C14H12BrNO3S/c15-11-6-2-1-5-10(11)13(17)16-12(14(18)19)8-9-4-3-7-20-9/h1-7,12H,8H2,(H,16,17)(H,18,19)/t12-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| n/a | n/a | 5.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
In vitro inhibitory potency for preventing sarafotoxin S6c induced constriction of rat tracheal rings (ETB receptor) |
Bioorg Med Chem Lett 13: 1015-8 (2003)
BindingDB Entry DOI: 10.7270/Q2K35V6V |
More data for this
Ligand-Target Pair | |
Integrin alpha-L/Integrin beta-2/Intercellular adhesion molecule 1
(Homo sapiens (Human)) | BDBM50125212
((S)-2-(2-Bromo-benzoylamino)-3-hydroxy-propionic a...)Show InChI InChI=1S/C10H10BrNO4/c11-7-4-2-1-3-6(7)9(14)12-8(5-13)10(15)16/h1-4,8,13H,5H2,(H,12,14)(H,15,16)/t8-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
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antibodypedia
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PC cid
PC sid
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Similars
| PubMed
| n/a | n/a | 6.15E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Potency on ETA receptor assessed by inhibition of the contraction induced by ET-1 in rat aortic rings |
Bioorg Med Chem Lett 13: 1015-8 (2003)
BindingDB Entry DOI: 10.7270/Q2K35V6V |
More data for this
Ligand-Target Pair | |
Integrin alpha-L/Integrin beta-2/Intercellular adhesion molecule 1
(Homo sapiens (Human)) | BDBM50125204
((S)-2-(2-Bromo-benzoylamino)-propionic acid | CHEM...)Show InChI InChI=1S/C10H10BrNO3/c1-6(10(14)15)12-9(13)7-4-2-3-5-8(7)11/h2-6H,1H3,(H,12,13)(H,14,15)/t6-/m0/s1 | PDB
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PC cid
PC sid
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| PubMed
| n/a | n/a | 6.64E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
In vitro inhibitory potency for preventing ET-1 induced constriction of rat aortic rings (ETA receptor) |
Bioorg Med Chem Lett 13: 1015-8 (2003)
BindingDB Entry DOI: 10.7270/Q2K35V6V |
More data for this
Ligand-Target Pair | |
Integrin alpha-L/Integrin beta-2/Intercellular adhesion molecule 1
(Homo sapiens (Human)) | BDBM50125218
((S)-2-(2-Bromo-benzoylamino)-4-methylsulfanyl-buty...)Show InChI InChI=1S/C12H14BrNO3S/c1-18-7-6-10(12(16)17)14-11(15)8-4-2-3-5-9(8)13/h2-5,10H,6-7H2,1H3,(H,14,15)(H,16,17)/t10-/m0/s1 | PDB
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MCE
PC cid
PC sid
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| PubMed
| n/a | n/a | 7.46E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
In vitro inhibitory potency for preventing sarafotoxin S6c induced constriction of rat tracheal rings (ETB receptor) |
Bioorg Med Chem Lett 13: 1015-8 (2003)
BindingDB Entry DOI: 10.7270/Q2K35V6V |
More data for this
Ligand-Target Pair | |
Integrin alpha-L/Integrin beta-2/Intercellular adhesion molecule 1
(Homo sapiens (Human)) | BDBM50125233
((S)-2-(2-Bromo-benzoylamino)-3-(6-fluoro-1H-indol-...)Show SMILES OC(=O)[C@H](Cc1c[nH]c2cc(F)ccc12)NC(=O)c1ccccc1Br Show InChI InChI=1S/C18H14BrFN2O3/c19-14-4-2-1-3-13(14)17(23)22-16(18(24)25)7-10-9-21-15-8-11(20)5-6-12(10)15/h1-6,8-9,16,21H,7H2,(H,22,23)(H,24,25)/t16-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 7.64E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Potency on ETA receptor assessed by inhibition of the contraction induced by ET-1 in rat aortic rings |
Bioorg Med Chem Lett 13: 1015-8 (2003)
BindingDB Entry DOI: 10.7270/Q2K35V6V |
More data for this
Ligand-Target Pair | |
Integrin alpha-L/Integrin beta-2/Intercellular adhesion molecule 1
(Homo sapiens (Human)) | BDBM50125219
((S)-2-(2-Bromo-benzoylamino)-3-(5-fluoro-1H-indol-...)Show SMILES OC(=O)[C@H](Cc1c[nH]c2ccc(F)cc12)NC(=O)c1ccccc1Br Show InChI InChI=1S/C18H14BrFN2O3/c19-14-4-2-1-3-12(14)17(23)22-16(18(24)25)7-10-9-21-15-6-5-11(20)8-13(10)15/h1-6,8-9,16,21H,7H2,(H,22,23)(H,24,25)/t16-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 1.08E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
In vitro inhibitory potency for preventing sarafotoxin S6c induced constriction of rat tracheal rings (ETB receptor) |
Bioorg Med Chem Lett 13: 1015-8 (2003)
BindingDB Entry DOI: 10.7270/Q2K35V6V |
More data for this
Ligand-Target Pair | |
Integrin alpha-L/Integrin beta-2/Intercellular adhesion molecule 1
(Homo sapiens (Human)) | BDBM50125229
((S)-2-(2-Bromo-benzoylamino)-3-methyl-butyric acid...)Show InChI InChI=1S/C12H14BrNO3/c1-7(2)10(12(16)17)14-11(15)8-5-3-4-6-9(8)13/h3-7,10H,1-2H3,(H,14,15)(H,16,17)/t10-/m0/s1 | PDB
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CHEMBL
MCE
PC cid
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Similars
| PubMed
| n/a | n/a | 1.13E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
In vitro inhibitory potency for preventing ET-1 induced constriction of rat aortic rings (ETA receptor) |
Bioorg Med Chem Lett 13: 1015-8 (2003)
BindingDB Entry DOI: 10.7270/Q2K35V6V |
More data for this
Ligand-Target Pair | |
Integrin alpha-L/Integrin beta-2/Intercellular adhesion molecule 1
(Homo sapiens (Human)) | BDBM50125235
((S)-2-(2-Bromo-benzoylamino)-3-naphthalen-1-yl-pro...)Show SMILES OC(=O)[C@H](Cc1cccc2ccccc12)NC(=O)c1ccccc1Br Show InChI InChI=1S/C20H16BrNO3/c21-17-11-4-3-10-16(17)19(23)22-18(20(24)25)12-14-8-5-7-13-6-1-2-9-15(13)14/h1-11,18H,12H2,(H,22,23)(H,24,25)/t18-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 1.60E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
In vitro inhibitory potency for preventing ET-1 induced constriction of rat aortic rings (ETA receptor) |
Bioorg Med Chem Lett 13: 1015-8 (2003)
BindingDB Entry DOI: 10.7270/Q2K35V6V |
More data for this
Ligand-Target Pair | |
Integrin alpha-L/Integrin beta-2/Intercellular adhesion molecule 1
(Homo sapiens (Human)) | BDBM50125227
((S)-2-(2-Bromo-benzoylamino)-3-(5-hydroxy-1H-indol...)Show SMILES OC(=O)[C@H](Cc1c[nH]c2ccc(O)cc12)NC(=O)c1ccccc1Br Show InChI InChI=1S/C18H15BrN2O4/c19-14-4-2-1-3-12(14)17(23)21-16(18(24)25)7-10-9-20-15-6-5-11(22)8-13(10)15/h1-6,8-9,16,20,22H,7H2,(H,21,23)(H,24,25)/t16-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
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GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 2.42E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Potency on ETA receptor assessed by inhibition of the contraction induced by ET-1 in rat aortic rings |
Bioorg Med Chem Lett 13: 1015-8 (2003)
BindingDB Entry DOI: 10.7270/Q2K35V6V |
More data for this
Ligand-Target Pair | |
Integrin alpha-L/Integrin beta-2/Intercellular adhesion molecule 1
(Homo sapiens (Human)) | BDBM50125201
((S)-2-(2-Bromo-benzoylamino)-3-naphthalen-2-yl-pro...)Show SMILES OC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)c1ccccc1Br Show InChI InChI=1S/C20H16BrNO3/c21-17-8-4-3-7-16(17)19(23)22-18(20(24)25)12-13-9-10-14-5-1-2-6-15(14)11-13/h1-11,18H,12H2,(H,22,23)(H,24,25)/t18-/m0/s1 | PDB
UniProtKB/SwissProt
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| CHEMBL
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UniChem
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| n/a | n/a | 2.44E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
In vitro inhibitory potency for preventing sarafotoxin S6c induced constriction of rat tracheal rings (ETB receptor) |
Bioorg Med Chem Lett 13: 1015-8 (2003)
BindingDB Entry DOI: 10.7270/Q2K35V6V |
More data for this
Ligand-Target Pair | |
Integrin alpha-L/Integrin beta-2/Intercellular adhesion molecule 1
(Homo sapiens (Human)) | BDBM50125197
((S)-2-(2-Bromo-benzoylamino)-3-(5-bromo-1H-indol-3...)Show SMILES OC(=O)[C@H](Cc1c[nH]c2ccc(Br)cc12)NC(=O)c1ccccc1Br Show InChI InChI=1S/C18H14Br2N2O3/c19-11-5-6-15-13(8-11)10(9-21-15)7-16(18(24)25)22-17(23)12-3-1-2-4-14(12)20/h1-6,8-9,16,21H,7H2,(H,22,23)(H,24,25)/t16-/m0/s1 | PDB
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 2.84E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
In vitro inhibitory potency for preventing ET-1 induced constriction of rat aortic rings (ETA receptor) |
Bioorg Med Chem Lett 13: 1015-8 (2003)
BindingDB Entry DOI: 10.7270/Q2K35V6V |
More data for this
Ligand-Target Pair | |
Integrin alpha-L/Integrin beta-2/Intercellular adhesion molecule 1
(Homo sapiens (Human)) | BDBM50125202
((S)-2-(2-Bromo-benzoylamino)-pentanedioic acid | C...)Show InChI InChI=1S/C12H12BrNO5/c13-8-4-2-1-3-7(8)11(17)14-9(12(18)19)5-6-10(15)16/h1-4,9H,5-6H2,(H,14,17)(H,15,16)(H,18,19)/t9-/m0/s1 | PDB
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Similars
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| n/a | n/a | 3.01E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Potency on ETA receptor assessed by inhibition of the contraction induced by ET-1 in rat aortic rings |
Bioorg Med Chem Lett 13: 1015-8 (2003)
BindingDB Entry DOI: 10.7270/Q2K35V6V |
More data for this
Ligand-Target Pair | |
Integrin alpha-L/Integrin beta-2/Intercellular adhesion molecule 1
(Homo sapiens (Human)) | BDBM50125230
((S)-2-(2-Bromo-benzoylamino)-3-(4-cyano-phenyl)-pr...)Show SMILES OC(=O)[C@H](Cc1ccc(cc1)C#N)NC(=O)c1ccccc1Br Show InChI InChI=1S/C17H13BrN2O3/c18-14-4-2-1-3-13(14)16(21)20-15(17(22)23)9-11-5-7-12(10-19)8-6-11/h1-8,15H,9H2,(H,20,21)(H,22,23)/t15-/m0/s1 | PDB
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Similars
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| n/a | n/a | 3.68E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Potency on ETA receptor assessed by inhibition of the contraction induced by ET-1 in rat aortic rings |
Bioorg Med Chem Lett 13: 1015-8 (2003)
BindingDB Entry DOI: 10.7270/Q2K35V6V |
More data for this
Ligand-Target Pair | |
Integrin alpha-L/Integrin beta-2/Intercellular adhesion molecule 1
(Homo sapiens (Human)) | BDBM50125231
((S)-3-Biphenyl-4-yl-2-(2-bromo-benzoylamino)-propi...)Show SMILES OC(=O)[C@H](Cc1ccc(cc1)-c1ccccc1)NC(=O)c1ccccc1Br Show InChI InChI=1S/C22H18BrNO3/c23-19-9-5-4-8-18(19)21(25)24-20(22(26)27)14-15-10-12-17(13-11-15)16-6-2-1-3-7-16/h1-13,20H,14H2,(H,24,25)(H,26,27)/t20-/m0/s1 | PDB
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Similars
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| n/a | n/a | 5.05E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Potency on ETA receptor assessed by inhibition of the contraction induced by ET-1 in rat aortic rings |
Bioorg Med Chem Lett 13: 1015-8 (2003)
BindingDB Entry DOI: 10.7270/Q2K35V6V |
More data for this
Ligand-Target Pair | |
Integrin alpha-L/Integrin beta-2/Intercellular adhesion molecule 1
(Homo sapiens (Human)) | BDBM50125224
((S)-2-(2-Bromo-benzoylamino)-4-methyl-pentanoic ac...)Show InChI InChI=1S/C13H16BrNO3/c1-8(2)7-11(13(17)18)15-12(16)9-5-3-4-6-10(9)14/h3-6,8,11H,7H2,1-2H3,(H,15,16)(H,17,18)/t11-/m0/s1 | PDB
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| n/a | n/a | 5.43E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
In vitro inhibitory potency for preventing sarafotoxin S6c induced constriction of rat tracheal rings (ETB receptor) |
Bioorg Med Chem Lett 13: 1015-8 (2003)
BindingDB Entry DOI: 10.7270/Q2K35V6V |
More data for this
Ligand-Target Pair | |
Integrin alpha-L/Integrin beta-2/Intercellular adhesion molecule 1
(Homo sapiens (Human)) | BDBM50125205
((R)-2-(2-Bromo-benzoylamino)-propionic acid | CHEM...)Show InChI InChI=1S/C10H10BrNO3/c1-6(10(14)15)12-9(13)7-4-2-3-5-8(7)11/h2-6H,1H3,(H,12,13)(H,14,15)/t6-/m1/s1 | PDB
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| n/a | n/a | 5.75E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
In vitro inhibitory potency for preventing sarafotoxin S6c induced constriction of rat tracheal rings (ETB receptor) |
Bioorg Med Chem Lett 13: 1015-8 (2003)
BindingDB Entry DOI: 10.7270/Q2K35V6V |
More data for this
Ligand-Target Pair | |
Integrin alpha-L/Integrin beta-2/Intercellular adhesion molecule 1
(Homo sapiens (Human)) | BDBM50125216
((S)-2-(2-Bromo-benzoylamino)-3-(1H-pyrrolo[2,3-b]p...)Show SMILES OC(=O)[C@H](Cc1c[nH]c2ncccc12)NC(=O)c1ccccc1Br Show InChI InChI=1S/C17H14BrN3O3/c18-13-6-2-1-4-12(13)16(22)21-14(17(23)24)8-10-9-20-15-11(10)5-3-7-19-15/h1-7,9,14H,8H2,(H,19,20)(H,21,22)(H,23,24)/t14-/m0/s1 | PDB
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Similars
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| n/a | n/a | 6.38E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
In vitro inhibitory potency for preventing sarafotoxin S6c induced constriction of rat tracheal rings (ETB receptor) |
Bioorg Med Chem Lett 13: 1015-8 (2003)
BindingDB Entry DOI: 10.7270/Q2K35V6V |
More data for this
Ligand-Target Pair | |
Integrin alpha-L/Integrin beta-2/Intercellular adhesion molecule 1
(Homo sapiens (Human)) | BDBM50125214
((R)-2-(2-Bromo-benzoylamino)-3-hydroxy-propionic a...)Show InChI InChI=1S/C10H10BrNO4/c11-7-4-2-1-3-6(7)9(14)12-8(5-13)10(15)16/h1-4,8,13H,5H2,(H,12,14)(H,15,16)/t8-/m1/s1 | PDB
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| n/a | n/a | 7.26E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Potency on ETA receptor assessed by inhibition of the contraction induced by ET-1 in rat aortic rings |
Bioorg Med Chem Lett 13: 1015-8 (2003)
BindingDB Entry DOI: 10.7270/Q2K35V6V |
More data for this
Ligand-Target Pair | |
Integrin alpha-L/Integrin beta-2/Intercellular adhesion molecule 1
(Homo sapiens (Human)) | BDBM50125234
((R)-2-(2-Bromo-benzoylamino)-3-(1H-indol-3-yl)-pro...)Show SMILES OC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccccc1Br Show InChI InChI=1S/C18H15BrN2O3/c19-14-7-3-1-6-13(14)17(22)21-16(18(23)24)9-11-10-20-15-8-4-2-5-12(11)15/h1-8,10,16,20H,9H2,(H,21,22)(H,23,24)/t16-/m1/s1 | PDB
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| n/a | n/a | 7.66E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
In vitro inhibitory potency for preventing ET-1 induced constriction of rat aortic rings (ETA receptor) |
Bioorg Med Chem Lett 13: 1015-8 (2003)
BindingDB Entry DOI: 10.7270/Q2K35V6V |
More data for this
Ligand-Target Pair | |
Integrin alpha-L/Integrin beta-2/Intercellular adhesion molecule 1
(Homo sapiens (Human)) | BDBM50125210
((2S,3S)-2-(2-Bromo-benzoylamino)-3-methyl-pentanoi...)Show InChI InChI=1S/C13H16BrNO3/c1-3-8(2)11(13(17)18)15-12(16)9-6-4-5-7-10(9)14/h4-8,11H,3H2,1-2H3,(H,15,16)(H,17,18)/t8-,11-/m0/s1 | PDB
UniProtKB/SwissProt
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| n/a | n/a | 1.06E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
In vitro inhibitory potency for preventing sarafotoxin S6c induced constriction of rat tracheal rings (ETB receptor) |
Bioorg Med Chem Lett 13: 1015-8 (2003)
BindingDB Entry DOI: 10.7270/Q2K35V6V |
More data for this
Ligand-Target Pair | |
Integrin alpha-L/Integrin beta-2/Intercellular adhesion molecule 1
(Homo sapiens (Human)) | BDBM50125225
(2-Bromo-N-[(S)-1-hydroxycarbamoyl-2-(1H-indol-3-yl...)Show SMILES ONC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccccc1Br Show InChI InChI=1S/C18H16BrN3O3/c19-14-7-3-1-6-13(14)17(23)21-16(18(24)22-25)9-11-10-20-15-8-4-2-5-12(11)15/h1-8,10,16,20,25H,9H2,(H,21,23)(H,22,24)/t16-/m0/s1 | PDB
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| n/a | n/a | 1.40E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
In vitro inhibitory potency for preventing sarafotoxin S6c induced constriction of rat tracheal rings (ETB receptor) |
Bioorg Med Chem Lett 13: 1015-8 (2003)
BindingDB Entry DOI: 10.7270/Q2K35V6V |
More data for this
Ligand-Target Pair | |
Integrin alpha-L/Integrin beta-2/Intercellular adhesion molecule 1
(Homo sapiens (Human)) | BDBM50125209
((S)-2-(2-Bromo-benzoylamino)-succinic acid | CHEMB...)Show InChI InChI=1S/C11H10BrNO5/c12-7-4-2-1-3-6(7)10(16)13-8(11(17)18)5-9(14)15/h1-4,8H,5H2,(H,13,16)(H,14,15)(H,17,18)/t8-/m0/s1 | PDB
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| n/a | n/a | >2.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
In vitro inhibitory potency for preventing ET-1 induced constriction of rat aortic rings (ETA receptor) |
Bioorg Med Chem Lett 13: 1015-8 (2003)
BindingDB Entry DOI: 10.7270/Q2K35V6V |
More data for this
Ligand-Target Pair | |
Integrin alpha-L/Integrin beta-2/Intercellular adhesion molecule 1
(Homo sapiens (Human)) | BDBM50125207
((R)-2-(2-Bromo-benzoylamino)-3-naphthalen-1-yl-pro...)Show SMILES OC(=O)[C@@H](Cc1cccc2ccccc12)NC(=O)c1ccccc1Br Show InChI InChI=1S/C20H16BrNO3/c21-17-11-4-3-10-16(17)19(23)22-18(20(24)25)12-14-8-5-7-13-6-1-2-9-15(13)14/h1-11,18H,12H2,(H,22,23)(H,24,25)/t18-/m1/s1 | PDB
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| n/a | n/a | >2.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
In vitro inhibitory potency for preventing sarafotoxin S6c induced constriction of rat tracheal rings (ETB receptor) |
Bioorg Med Chem Lett 13: 1015-8 (2003)
BindingDB Entry DOI: 10.7270/Q2K35V6V |
More data for this
Ligand-Target Pair | |
Integrin alpha-L/Integrin beta-2/Intercellular adhesion molecule 1
(Homo sapiens (Human)) | BDBM50125223
((R)-2-(2-Bromo-benzoylamino)-3-naphthalen-2-yl-pro...)Show SMILES OC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(=O)c1ccccc1Br Show InChI InChI=1S/C20H16BrNO3/c21-17-8-4-3-7-16(17)19(23)22-18(20(24)25)12-13-9-10-14-5-1-2-6-15(14)11-13/h1-11,18H,12H2,(H,22,23)(H,24,25)/t18-/m1/s1 | PDB
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Similars
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| n/a | n/a | 2.43E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Potency on ETA receptor assessed by inhibition of the contraction induced by ET-1 in rat aortic rings |
Bioorg Med Chem Lett 13: 1015-8 (2003)
BindingDB Entry DOI: 10.7270/Q2K35V6V |
More data for this
Ligand-Target Pair | |
Integrin alpha-L/Integrin beta-2/Intercellular adhesion molecule 1
(Homo sapiens (Human)) | BDBM50125222
((R)-2-(2-Bromo-benzoylamino)-3-phenyl-propionic ac...)Show InChI InChI=1S/C16H14BrNO3/c17-13-9-5-4-8-12(13)15(19)18-14(16(20)21)10-11-6-2-1-3-7-11/h1-9,14H,10H2,(H,18,19)(H,20,21)/t14-/m1/s1 | PDB
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| n/a | n/a | 2.80E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Potency on ETA receptor assessed by inhibition of the contraction induced by ET-1 in rat aortic rings |
Bioorg Med Chem Lett 13: 1015-8 (2003)
BindingDB Entry DOI: 10.7270/Q2K35V6V |
More data for this
Ligand-Target Pair | |
Integrin alpha-L/Integrin beta-2/Intercellular adhesion molecule 1
(Homo sapiens (Human)) | BDBM50125199
((2-Bromo-benzoylamino)-acetic acid | CHEMBL7664)Show InChI InChI=1S/C9H8BrNO3/c10-7-4-2-1-3-6(7)9(14)11-5-8(12)13/h1-4H,5H2,(H,11,14)(H,12,13) | PDB
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| n/a | n/a | 3.14E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
In vitro inhibitory potency for preventing ET-1 induced constriction of rat aortic rings (ETA receptor) |
Bioorg Med Chem Lett 13: 1015-8 (2003)
BindingDB Entry DOI: 10.7270/Q2K35V6V |
More data for this
Ligand-Target Pair | |
Integrin alpha-L/Integrin beta-2/Intercellular adhesion molecule 1
(Homo sapiens (Human)) | BDBM50125200
((S)-2-(2-Bromo-benzoylamino)-3-(1H-indol-3-yl)-pro...)Show SMILES COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccccc1Br Show InChI InChI=1S/C19H17BrN2O3/c1-25-19(24)17(22-18(23)14-7-2-4-8-15(14)20)10-12-11-21-16-9-5-3-6-13(12)16/h2-9,11,17,21H,10H2,1H3,(H,22,23)/t17-/m0/s1 | PDB
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| n/a | n/a | >1.00E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
In vitro inhibitory potency for preventing ET-1 induced constriction of rat aortic rings (ETA receptor) |
Bioorg Med Chem Lett 13: 1015-8 (2003)
BindingDB Entry DOI: 10.7270/Q2K35V6V |
More data for this
Ligand-Target Pair | |
Integrin alpha-L/Integrin beta-2/Intercellular adhesion molecule 1
(Homo sapiens (Human)) | BDBM50125213
(2-Bromo-N-[(S)-1-carbamoyl-2-(1H-indol-3-yl)-ethyl...)Show SMILES NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccccc1Br Show InChI InChI=1S/C18H16BrN3O2/c19-14-7-3-1-6-13(14)18(24)22-16(17(20)23)9-11-10-21-15-8-4-2-5-12(11)15/h1-8,10,16,21H,9H2,(H2,20,23)(H,22,24)/t16-/m0/s1 | PDB
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| n/a | n/a | >1.00E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Potency on ETA receptor assessed by inhibition of the contraction induced by ET-1 in rat aortic rings |
Bioorg Med Chem Lett 13: 1015-8 (2003)
BindingDB Entry DOI: 10.7270/Q2K35V6V |
More data for this
Ligand-Target Pair | |
Integrin alpha-L/Integrin beta-2/Intercellular adhesion molecule 1
(Homo sapiens (Human)) | BDBM50125211
((S)-1-(2-Bromo-benzoyl)-pyrrolidine-2-carboxylic a...)Show InChI InChI=1S/C12H12BrNO3/c13-9-5-2-1-4-8(9)11(15)14-7-3-6-10(14)12(16)17/h1-2,4-5,10H,3,6-7H2,(H,16,17)/t10-/m0/s1 | PDB
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| n/a | n/a | >1.00E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
In vitro inhibitory potency for preventing sarafotoxin S6c induced constriction of rat tracheal rings (ETB receptor) |
Bioorg Med Chem Lett 13: 1015-8 (2003)
BindingDB Entry DOI: 10.7270/Q2K35V6V |
More data for this
Ligand-Target Pair | |
Integrin alpha-L/Integrin beta-2/Intercellular adhesion molecule 1
(Homo sapiens (Human)) | BDBM50125203
(2-Bromo-N-[2-(1H-indol-3-yl)-ethyl]-benzamide | CH...)Show InChI InChI=1S/C17H15BrN2O/c18-15-7-3-1-6-14(15)17(21)19-10-9-12-11-20-16-8-4-2-5-13(12)16/h1-8,11,20H,9-10H2,(H,19,21) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
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PC sid
UniChem
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| PubMed
| n/a | n/a | >1.00E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
In vitro inhibitory potency for preventing sarafotoxin S6c induced constriction of rat tracheal rings (ETB receptor) |
Bioorg Med Chem Lett 13: 1015-8 (2003)
BindingDB Entry DOI: 10.7270/Q2K35V6V |
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Ligand-Target Pair | |
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