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Compile Data Set for Download or QSAR

Found 171 hits with Last Name = 'laurent' and Initial = 's'   
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
Tryptophan 2,3-dioxygenase


(Homo sapiens (Human))
BDBM50289137
PNG
(6-Fluoro-3-((E)-2-pyridin-3-yl-vinyl)-1H-indole | ...)
Show SMILES Fc1ccc2c(\C=C\c3cccnc3)c[nH]c2c1
Show InChI InChI=1S/C15H11FN2/c16-13-5-6-14-12(10-18-15(14)8-13)4-3-11-2-1-7-17-9-11/h1-10,18H/b4-3+
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30n/an/an/an/an/an/an/an/a



University of Namur (FUNDP)

Curated by ChEMBL


Assay Description
Inhibition of liver TDO


Eur J Med Chem 54: 95-102 (2012)


Article DOI: 10.1016/j.ejmech.2012.04.033
BindingDB Entry DOI: 10.7270/Q2XS5WFD
More data for this
Ligand-Target Pair
Tryptophan 2,3-dioxygenase


(Homo sapiens (Human))
BDBM50350281
PNG
(CHEMBL1812527)
Show SMILES Clc1cccc2c(\C=C\c3cccnc3)c[nH]c12
Show InChI InChI=1S/C15H11ClN2/c16-14-5-1-4-13-12(10-18-15(13)14)7-6-11-3-2-8-17-9-11/h1-10,18H/b7-6+
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2.10E+4n/an/an/an/an/an/an/an/a



University of Namur (FUNDP)

Curated by ChEMBL


Assay Description
Competitive inhibition of human purified TDO by Henri-Michaelis-Menten equation analysis


Eur J Med Chem 54: 95-102 (2012)


Article DOI: 10.1016/j.ejmech.2012.04.033
BindingDB Entry DOI: 10.7270/Q2XS5WFD
More data for this
Ligand-Target Pair
ITGA5/ITGB1


(Homo sapiens (Human))
BDBM50313793
PNG
((S)-3-(3-amino-4-(3-(5,6,7,8-tetrahydro-1,8-naphth...)
Show SMILES Nc1cc(C[C@H](NS(=O)(=O)c2cccc(c2)C(F)(F)F)C(O)=O)ccc1OCCCc1ccc2CCCNc2n1 |r|
Show InChI InChI=1S/C27H29F3N4O5S/c28-27(29,30)19-5-1-7-21(16-19)40(37,38)34-23(26(35)36)15-17-8-11-24(22(31)14-17)39-13-3-6-20-10-9-18-4-2-12-32-25(18)33-20/h1,5,7-11,14,16,23,34H,2-4,6,12-13,15,31H2,(H,32,33)(H,35,36)/t23-/m0/s1
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Universit£ Catholique de Louvain

Curated by ChEMBL


Assay Description
Inhibition of human Integrin alpha5beta3 receptors expressed in HOP cells assessed as cell attachment after 30 mins by colorimetric assay


Bioorg Med Chem Lett 20: 1861-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.150
BindingDB Entry DOI: 10.7270/Q2Z60P6B
More data for this
Ligand-Target Pair
G-protein coupled receptor 183


(Homo sapiens (Human))
BDBM50011716
PNG
(CHEMBL3262896)
Show SMILES COc1ccc(cc1)C(=O)N1CCN(CC1)C(=O)\C=C\c1ccc(Br)cc1
Show InChI InChI=1S/C21H21BrN2O3/c1-27-19-9-5-17(6-10-19)21(26)24-14-12-23(13-15-24)20(25)11-4-16-2-7-18(22)8-3-16/h2-11H,12-15H2,1H3/b11-4+
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n/an/a 0.300n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at EBI2 receptor in human U937 cells assessed as inhibition of 7-alpha,25-OHC-induced cell migration after 3 hrs by flow cytometr...


J Med Chem 57: 3358-68 (2014)


Article DOI: 10.1021/jm4019355
BindingDB Entry DOI: 10.7270/Q2BG2QJ5
More data for this
Ligand-Target Pair
ITGA5/ITGB1


(Homo sapiens (Human))
BDBM50313795
PNG
((S)-3-(4-(3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2...)
Show SMILES COCCOCCOCCOCC(=O)Nc1cc(C[C@H](NS(=O)(=O)c2cccc(c2)C(F)(F)F)C(O)=O)ccc1OCCCc1ccc2CCCNc2n1 |r|
Show InChI InChI=1S/C36H45F3N4O10S/c1-49-15-16-50-17-18-51-19-20-52-24-33(44)42-30-21-25(9-12-32(30)53-14-4-7-28-11-10-26-5-3-13-40-34(26)41-28)22-31(35(45)46)43-54(47,48)29-8-2-6-27(23-29)36(37,38)39/h2,6,8-12,21,23,31,43H,3-5,7,13-20,22,24H2,1H3,(H,40,41)(H,42,44)(H,45,46)/t31-/m0/s1
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Universit£ Catholique de Louvain

Curated by ChEMBL


Assay Description
Inhibition of human Integrin alpha5beta3 receptors expressed in HOP cells assessed as cell attachment after 30 mins by colorimetric assay


Bioorg Med Chem Lett 20: 1861-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.150
BindingDB Entry DOI: 10.7270/Q2Z60P6B
More data for this
Ligand-Target Pair
ITGA5/ITGB1


(Homo sapiens (Human))
BDBM50313794
PNG
((S)-3-(3-(20-amino-3,6,9,12,15,18-hexaoxaicosanami...)
Show SMILES NCCOCCOCCOCCOCCOCCOCC(=O)Nc1cc(C[C@H](NS(=O)(=O)c2cccc(c2)C(F)(F)F)C(O)=O)ccc1OCCCc1ccc2CCCNc2n1 |r|
Show InChI InChI=1S/C41H56F3N5O12S/c42-41(43,44)32-5-1-7-34(28-32)62(53,54)49-36(40(51)52)27-30-8-11-37(61-14-3-6-33-10-9-31-4-2-13-46-39(31)47-33)35(26-30)48-38(50)29-60-25-24-59-23-22-58-21-20-57-19-18-56-17-16-55-15-12-45/h1,5,7-11,26,28,36,49H,2-4,6,12-25,27,29,45H2,(H,46,47)(H,48,50)(H,51,52)/t36-/m0/s1
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Universit£ Catholique de Louvain

Curated by ChEMBL


Assay Description
Inhibition of human Integrin alpha5beta3 receptors expressed in HOP cells assessed as cell attachment after 30 mins by colorimetric assay


Bioorg Med Chem Lett 20: 1861-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.150
BindingDB Entry DOI: 10.7270/Q2Z60P6B
More data for this
Ligand-Target Pair
EDNRA


(RAT)
BDBM50093978
PNG
(2-(4-Carboxy-cyclohexylmethyl)-4-(6-chloro-benzo[1...)
Show SMILES OC(=O)C1CCC(Cn2nc(c(Cc3cc4OCOc4cc3Cl)c2C(O)=O)-c2cccs2)CC1 |(3.14,-11.22,;4.56,-11.81,;4.77,-13.34,;5.78,-10.87,;7.2,-11.46,;8.43,-10.52,;8.23,-8.98,;9.53,-8.16,;9.46,-6.62,;8.16,-5.78,;8.57,-4.28,;10.12,-4.21,;10.96,-2.92,;12.48,-2.92,;13.25,-4.24,;14.81,-4.24,;15.84,-5.36,;17.23,-4.73,;17.06,-3.21,;15.56,-2.9,;14.77,-1.57,;13.25,-1.59,;12.46,-.26,;10.66,-5.65,;12.15,-6.06,;12.55,-7.55,;13.25,-4.98,;7.67,-3.04,;8.15,-1.57,;6.9,-.65,;5.66,-1.57,;6.13,-3.04,;6.81,-8.41,;5.58,-9.35,)|
Show InChI InChI=1S/C24H23ClN2O6S/c25-17-10-19-18(32-12-33-19)9-15(17)8-16-21(20-2-1-7-34-20)26-27(22(16)24(30)31)11-13-3-5-14(6-4-13)23(28)29/h1-2,7,9-10,13-14H,3-6,8,11-12H2,(H,28,29)(H,30,31)
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n/an/a 0.810n/an/an/an/an/an/a



Hoechst Marion Roussel

Curated by ChEMBL


Assay Description
In vitro binding affinity to endothelin A receptor in rat heart ventricles


Bioorg Med Chem Lett 10: 2575-8 (2001)


BindingDB Entry DOI: 10.7270/Q22R3QW9
More data for this
Ligand-Target Pair
EDNRA


(RAT)
BDBM50093997
PNG
(4-(6-Chloro-benzo[1,3]dioxol-5-ylmethyl)-2-cyclohe...)
Show SMILES OC(=O)c1c(Cc2cc3OCOc3cc2Cl)c(nn1CC1CCCCC1)-c1cccs1
Show InChI InChI=1S/C23H23ClN2O4S/c24-17-11-19-18(29-13-30-19)10-15(17)9-16-21(20-7-4-8-31-20)25-26(22(16)23(27)28)12-14-5-2-1-3-6-14/h4,7-8,10-11,14H,1-3,5-6,9,12-13H2,(H,27,28)
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Hoechst Marion Roussel

Curated by ChEMBL


Assay Description
In vitro binding affinity to endothelin A receptor in rat heart ventricles


Bioorg Med Chem Lett 10: 2575-8 (2001)


BindingDB Entry DOI: 10.7270/Q22R3QW9
More data for this
Ligand-Target Pair
EDNRA


(RAT)
BDBM50093996
PNG
(4-(6-Chloro-benzo[1,3]dioxol-5-ylmethyl)-2-cyclohe...)
Show SMILES OC(=O)c1c(Cc2cc3OCOc3cc2Cl)c(nn1CC1CCCCC1)-c1ccsc1
Show InChI InChI=1S/C23H23ClN2O4S/c24-18-10-20-19(29-13-30-20)9-16(18)8-17-21(15-6-7-31-12-15)25-26(22(17)23(27)28)11-14-4-2-1-3-5-14/h6-7,9-10,12,14H,1-5,8,11,13H2,(H,27,28)
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Hoechst Marion Roussel

Curated by ChEMBL


Assay Description
In vitro binding affinity to endothelin A receptor in rat heart ventricles


Bioorg Med Chem Lett 10: 2575-8 (2001)


BindingDB Entry DOI: 10.7270/Q22R3QW9
More data for this
Ligand-Target Pair
EDNRA


(RAT)
BDBM50093987
PNG
(4-(6-Chloro-benzo[1,3]dioxol-5-ylmethyl)-2-cyclohe...)
Show SMILES OC(=O)c1c(Cc2cc3OCOc3cc2Cl)c(nn1CC1CCCCC1)-c1ccco1
Show InChI InChI=1S/C23H23ClN2O5/c24-17-11-20-19(30-13-31-20)10-15(17)9-16-21(18-7-4-8-29-18)25-26(22(16)23(27)28)12-14-5-2-1-3-6-14/h4,7-8,10-11,14H,1-3,5-6,9,12-13H2,(H,27,28)
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Hoechst Marion Roussel

Curated by ChEMBL


Assay Description
In vitro binding affinity to endothelin A receptor in rat heart ventricles


Bioorg Med Chem Lett 10: 2575-8 (2001)


BindingDB Entry DOI: 10.7270/Q22R3QW9
More data for this
Ligand-Target Pair
EDNRA


(RAT)
BDBM50094000
PNG
(2-(3-Carboxy-cyclohexylmethyl)-4-(6-chloro-benzo[1...)
Show SMILES OC(=O)C1CCCC(Cn2nc(c(Cc3cc4OCOc4cc3Cl)c2C(O)=O)-c2cccs2)C1
Show InChI InChI=1S/C24H23ClN2O6S/c25-17-10-19-18(32-12-33-19)9-15(17)8-16-21(20-5-2-6-34-20)26-27(22(16)24(30)31)11-13-3-1-4-14(7-13)23(28)29/h2,5-6,9-10,13-14H,1,3-4,7-8,11-12H2,(H,28,29)(H,30,31)
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n/an/a 1.30n/an/an/an/an/an/a



Hoechst Marion Roussel

Curated by ChEMBL


Assay Description
In vitro binding affinity to endothelin A receptor in rat heart ventricles


Bioorg Med Chem Lett 10: 2575-8 (2001)


BindingDB Entry DOI: 10.7270/Q22R3QW9
More data for this
Ligand-Target Pair
EDNRB


(RAT)
BDBM50093997
PNG
(4-(6-Chloro-benzo[1,3]dioxol-5-ylmethyl)-2-cyclohe...)
Show SMILES OC(=O)c1c(Cc2cc3OCOc3cc2Cl)c(nn1CC1CCCCC1)-c1cccs1
Show InChI InChI=1S/C23H23ClN2O4S/c24-17-11-19-18(29-13-30-19)10-15(17)9-16-21(20-7-4-8-31-20)25-26(22(16)23(27)28)12-14-5-2-1-3-6-14/h4,7-8,10-11,14H,1-3,5-6,9,12-13H2,(H,27,28)
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Hoechst Marion Roussel

Curated by ChEMBL


Assay Description
In vitro binding affinity to endothelin B receptor in rat cerebellum


Bioorg Med Chem Lett 10: 2575-8 (2001)


BindingDB Entry DOI: 10.7270/Q22R3QW9
More data for this
Ligand-Target Pair
EDNRA


(RAT)
BDBM50093985
PNG
(2-(6-Carboxy-4H-benzo[1,3]dioxin-8-ylmethyl)-4-(6-...)
Show SMILES OC(=O)c1c(Cc2cc3OCOc3cc2Cl)c(nn1Cc1cc(cc2COCOc12)C(O)=O)-c1ccccc1
Show InChI InChI=1S/C28H21ClN2O8/c29-21-10-23-22(37-14-38-23)9-16(21)8-20-24(15-4-2-1-3-5-15)30-31(25(20)28(34)35)11-18-6-17(27(32)33)7-19-12-36-13-39-26(18)19/h1-7,9-10H,8,11-14H2,(H,32,33)(H,34,35)
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Hoechst Marion Roussel

Curated by ChEMBL


Assay Description
In vitro binding affinity to endothelin A receptor in rat heart ventricles


Bioorg Med Chem Lett 10: 2575-8 (2001)


BindingDB Entry DOI: 10.7270/Q22R3QW9
More data for this
Ligand-Target Pair
EDNRA


(RAT)
BDBM50093999
PNG
(2-(3-Carboxy-cyclohexylmethyl)-4-(6-chloro-benzo[1...)
Show SMILES OC(=O)C1CCCC(Cn2nc(c(Cc3cc4OCOc4cc3Cl)c2C(O)=O)-c2ccccc2)C1
Show InChI InChI=1S/C26H25ClN2O6/c27-20-12-22-21(34-14-35-22)11-18(20)10-19-23(16-6-2-1-3-7-16)28-29(24(19)26(32)33)13-15-5-4-8-17(9-15)25(30)31/h1-3,6-7,11-12,15,17H,4-5,8-10,13-14H2,(H,30,31)(H,32,33)
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n/an/a 2.5n/an/an/an/an/an/a



Hoechst Marion Roussel

Curated by ChEMBL


Assay Description
In vitro binding affinity to endothelin A receptor in rat heart ventricles


Bioorg Med Chem Lett 10: 2575-8 (2001)


BindingDB Entry DOI: 10.7270/Q22R3QW9
More data for this
Ligand-Target Pair
EDNRB


(RAT)
BDBM50093993
PNG
(4-(6-Chloro-benzo[1,3]dioxol-5-ylmethyl)-2-cyclohe...)
Show SMILES OC(=O)c1c(Cc2cc3OCOc3cc2Cl)c(nn1CC1CCCCC1)-c1ccccc1
Show InChI InChI=1S/C25H25ClN2O4/c26-20-13-22-21(31-15-32-22)12-18(20)11-19-23(17-9-5-2-6-10-17)27-28(24(19)25(29)30)14-16-7-3-1-4-8-16/h2,5-6,9-10,12-13,16H,1,3-4,7-8,11,14-15H2,(H,29,30)
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Hoechst Marion Roussel

Curated by ChEMBL


Assay Description
In vitro binding affinity to endothelin B receptor in rat cerebellum


Bioorg Med Chem Lett 10: 2575-8 (2001)


BindingDB Entry DOI: 10.7270/Q22R3QW9
More data for this
Ligand-Target Pair
EDNRB


(RAT)
BDBM50093996
PNG
(4-(6-Chloro-benzo[1,3]dioxol-5-ylmethyl)-2-cyclohe...)
Show SMILES OC(=O)c1c(Cc2cc3OCOc3cc2Cl)c(nn1CC1CCCCC1)-c1ccsc1
Show InChI InChI=1S/C23H23ClN2O4S/c24-18-10-20-19(29-13-30-20)9-16(18)8-17-21(15-6-7-31-12-15)25-26(22(17)23(27)28)11-14-4-2-1-3-5-14/h6-7,9-10,12,14H,1-5,8,11,13H2,(H,27,28)
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Hoechst Marion Roussel

Curated by ChEMBL


Assay Description
In vitro binding affinity to endothelin B receptor in rat cerebellum


Bioorg Med Chem Lett 10: 2575-8 (2001)


BindingDB Entry DOI: 10.7270/Q22R3QW9
More data for this
Ligand-Target Pair
EDNRB


(RAT)
BDBM50093995
PNG
(2-(2-Carboxymethoxy-cyclohexylmethyl)-4-(6-chloro-...)
Show SMILES OC(=O)COC1CCCCC1Cn1nc(c(Cc2cc3OCOc3cc2Cl)c1C(O)=O)-c1ccccc1
Show InChI InChI=1S/C27H27ClN2O7/c28-20-12-23-22(36-15-37-23)11-18(20)10-19-25(16-6-2-1-3-7-16)29-30(26(19)27(33)34)13-17-8-4-5-9-21(17)35-14-24(31)32/h1-3,6-7,11-12,17,21H,4-5,8-10,13-15H2,(H,31,32)(H,33,34)
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Hoechst Marion Roussel

Curated by ChEMBL


Assay Description
In vitro binding affinity to endothelin B receptor in rat cerebellum


Bioorg Med Chem Lett 10: 2575-8 (2001)


BindingDB Entry DOI: 10.7270/Q22R3QW9
More data for this
Ligand-Target Pair
EDNRB


(RAT)
BDBM50093984
PNG
(2-(2-Carboxymethoxy-benzyl)-4-(6-chloro-benzo[1,3]...)
Show SMILES OC(=O)COc1ccccc1Cn1nc(c(Cc2cc3OCOc3cc2Cl)c1C(O)=O)-c1ccccc1
Show InChI InChI=1S/C27H21ClN2O7/c28-20-12-23-22(36-15-37-23)11-18(20)10-19-25(16-6-2-1-3-7-16)29-30(26(19)27(33)34)13-17-8-4-5-9-21(17)35-14-24(31)32/h1-9,11-12H,10,13-15H2,(H,31,32)(H,33,34)
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Hoechst Marion Roussel

Curated by ChEMBL


Assay Description
In vitro binding affinity to endothelin B receptor in rat cerebellum


Bioorg Med Chem Lett 10: 2575-8 (2001)


BindingDB Entry DOI: 10.7270/Q22R3QW9
More data for this
Ligand-Target Pair
EDNRA


(RAT)
BDBM50093980
PNG
(2-Adamantan-1-ylmethyl-4-(6-chloro-benzo[1,3]dioxo...)
Show SMILES OC(=O)c1c(Cc2cc3OCOc3cc2Cl)c(nn1CC12CC3CC(CC(C3)C1)C2)-c1ccccc1 |TLB:27:26:29:22.21.23,27:22:29:26.28.25,23:24:28:22.21.27,THB:23:22:28:24.29.25,25:26:21:24.29.23,25:24:21:26.28.27|
Show InChI InChI=1S/C29H29ClN2O4/c30-23-11-25-24(35-16-36-25)10-21(23)9-22-26(20-4-2-1-3-5-20)31-32(27(22)28(33)34)15-29-12-17-6-18(13-29)8-19(7-17)14-29/h1-5,10-11,17-19H,6-9,12-16H2,(H,33,34)
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Hoechst Marion Roussel

Curated by ChEMBL


Assay Description
In vitro binding affinity to endothelin A receptor in rat heart ventricles


Bioorg Med Chem Lett 10: 2575-8 (2001)


BindingDB Entry DOI: 10.7270/Q22R3QW9
More data for this
Ligand-Target Pair
EDNRB


(RAT)
BDBM50094004
PNG
(4-(6-Chloro-benzo[1,3]dioxol-5-ylmethyl)-2-cyclohe...)
Show SMILES OC(=O)c1c(Cc2cc3OCOc3cc2Cl)c(nn1CC1CCCCC1)-c1ccccn1
Show InChI InChI=1S/C24H24ClN3O4/c25-18-12-21-20(31-14-32-21)11-16(18)10-17-22(19-8-4-5-9-26-19)27-28(23(17)24(29)30)13-15-6-2-1-3-7-15/h4-5,8-9,11-12,15H,1-3,6-7,10,13-14H2,(H,29,30)
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Hoechst Marion Roussel

Curated by ChEMBL


Assay Description
In vitro binding affinity to endothelin B receptor in rat cerebellum


Bioorg Med Chem Lett 10: 2575-8 (2001)


BindingDB Entry DOI: 10.7270/Q22R3QW9
More data for this
Ligand-Target Pair
EDNRA


(RAT)
BDBM50093993
PNG
(4-(6-Chloro-benzo[1,3]dioxol-5-ylmethyl)-2-cyclohe...)
Show SMILES OC(=O)c1c(Cc2cc3OCOc3cc2Cl)c(nn1CC1CCCCC1)-c1ccccc1
Show InChI InChI=1S/C25H25ClN2O4/c26-20-13-22-21(31-15-32-22)12-18(20)11-19-23(17-9-5-2-6-10-17)27-28(24(19)25(29)30)14-16-7-3-1-4-8-16/h2,5-6,9-10,12-13,16H,1,3-4,7-8,11,14-15H2,(H,29,30)
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Hoechst Marion Roussel

Curated by ChEMBL


Assay Description
In vitro binding affinity to endothelin A receptor in rat heart ventricles


Bioorg Med Chem Lett 10: 2575-8 (2001)


BindingDB Entry DOI: 10.7270/Q22R3QW9
More data for this
Ligand-Target Pair
EDNRB


(RAT)
BDBM50093988
PNG
(2-(2-Carboxymethoxy-4-methoxy-benzyl)-4-(6-chloro-...)
Show SMILES COc1ccc(Cn2nc(c(Cc3cc4OCOc4cc3Cl)c2C(O)=O)-c2ccccc2)c(OCC(O)=O)c1
Show InChI InChI=1S/C28H23ClN2O8/c1-36-19-8-7-17(22(11-19)37-14-25(32)33)13-31-27(28(34)35)20(26(30-31)16-5-3-2-4-6-16)9-18-10-23-24(12-21(18)29)39-15-38-23/h2-8,10-12H,9,13-15H2,1H3,(H,32,33)(H,34,35)
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Hoechst Marion Roussel

Curated by ChEMBL


Assay Description
In vitro binding affinity to endothelin B receptor in rat cerebellum


Bioorg Med Chem Lett 10: 2575-8 (2001)


BindingDB Entry DOI: 10.7270/Q22R3QW9
More data for this
Ligand-Target Pair
EDNRB


(RAT)
BDBM50093986
PNG
(2-(2-Carboxymethoxy-benzyl)-4-(6-chloro-benzo[1,3]...)
Show SMILES OC(=O)COc1ccccc1Cn1nc(c(Cc2cc3OCOc3cc2Cl)c1C(O)=O)-c1cccs1
Show InChI InChI=1S/C25H19ClN2O7S/c26-17-10-20-19(34-13-35-20)9-15(17)8-16-23(21-6-3-7-36-21)27-28(24(16)25(31)32)11-14-4-1-2-5-18(14)33-12-22(29)30/h1-7,9-10H,8,11-13H2,(H,29,30)(H,31,32)
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Hoechst Marion Roussel

Curated by ChEMBL


Assay Description
In vitro binding affinity to endothelin B receptor in rat cerebellum


Bioorg Med Chem Lett 10: 2575-8 (2001)


BindingDB Entry DOI: 10.7270/Q22R3QW9
More data for this
Ligand-Target Pair
EDNRA


(RAT)
BDBM50094004
PNG
(4-(6-Chloro-benzo[1,3]dioxol-5-ylmethyl)-2-cyclohe...)
Show SMILES OC(=O)c1c(Cc2cc3OCOc3cc2Cl)c(nn1CC1CCCCC1)-c1ccccn1
Show InChI InChI=1S/C24H24ClN3O4/c25-18-12-21-20(31-14-32-21)11-16(18)10-17-22(19-8-4-5-9-26-19)27-28(23(17)24(29)30)13-15-6-2-1-3-7-15/h4-5,8-9,11-12,15H,1-3,6-7,10,13-14H2,(H,29,30)
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Hoechst Marion Roussel

Curated by ChEMBL


Assay Description
In vitro binding affinity to endothelin A receptor in rat heart ventricles


Bioorg Med Chem Lett 10: 2575-8 (2001)


BindingDB Entry DOI: 10.7270/Q22R3QW9
More data for this
Ligand-Target Pair
EDNRA


(RAT)
BDBM50094003
PNG
(2-(4-Carboxy-cyclohexylmethyl)-4-(6-chloro-benzo[1...)
Show SMILES OC(=O)C1CCC(Cn2nc(c(Cc3cc4OCOc4cc3Cl)c2C(O)=O)-c2ccccc2)CC1 |(9.76,-15.23,;10.23,-13.75,;11.75,-13.44,;9.2,-12.6,;9.67,-11.14,;8.64,-9.99,;7.14,-10.32,;6.11,-9.18,;6.2,-7.63,;4.86,-6.69,;5.33,-5.23,;6.88,-5.23,;7.79,-3.97,;9.34,-4.14,;10.23,-5.39,;11.76,-5.23,;12.91,-6.25,;14.22,-5.49,;13.92,-4,;12.39,-3.83,;11.48,-2.59,;9.95,-2.74,;9.05,-1.49,;7.36,-6.71,;8.83,-7.18,;9.72,-8.43,;9.98,-6.15,;4.42,-3.97,;5.05,-2.56,;4.15,-1.32,;2.6,-1.49,;1.98,-2.89,;2.89,-4.14,;6.66,-11.78,;7.69,-12.92,)|
Show InChI InChI=1S/C26H25ClN2O6/c27-20-12-22-21(34-14-35-22)11-18(20)10-19-23(16-4-2-1-3-5-16)28-29(24(19)26(32)33)13-15-6-8-17(9-7-15)25(30)31/h1-5,11-12,15,17H,6-10,13-14H2,(H,30,31)(H,32,33)
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Hoechst Marion Roussel

Curated by ChEMBL


Assay Description
In vitro binding affinity to endothelin A receptor in rat heart ventricles


Bioorg Med Chem Lett 10: 2575-8 (2001)


BindingDB Entry DOI: 10.7270/Q22R3QW9
More data for this
Ligand-Target Pair
EDNRB


(RAT)
BDBM50093980
PNG
(2-Adamantan-1-ylmethyl-4-(6-chloro-benzo[1,3]dioxo...)
Show SMILES OC(=O)c1c(Cc2cc3OCOc3cc2Cl)c(nn1CC12CC3CC(CC(C3)C1)C2)-c1ccccc1 |TLB:27:26:29:22.21.23,27:22:29:26.28.25,23:24:28:22.21.27,THB:23:22:28:24.29.25,25:26:21:24.29.23,25:24:21:26.28.27|
Show InChI InChI=1S/C29H29ClN2O4/c30-23-11-25-24(35-16-36-25)10-21(23)9-22-26(20-4-2-1-3-5-20)31-32(27(22)28(33)34)15-29-12-17-6-18(13-29)8-19(7-17)14-29/h1-5,10-11,17-19H,6-9,12-16H2,(H,33,34)
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Hoechst Marion Roussel

Curated by ChEMBL


Assay Description
In vitro binding affinity to endothelin B receptor in rat cerebellum


Bioorg Med Chem Lett 10: 2575-8 (2001)


BindingDB Entry DOI: 10.7270/Q22R3QW9
More data for this
Ligand-Target Pair
G-protein coupled receptor 183


(Homo sapiens (Human))
BDBM50011701
PNG
(CHEMBL3262895)
Show SMILES Brc1ccc(\C=C\C(=O)N2CCN(CC2)C(=O)c2ccc3OCCc3c2)cc1
Show InChI InChI=1S/C22H21BrN2O3/c23-19-5-1-16(2-6-19)3-8-21(26)24-10-12-25(13-11-24)22(27)18-4-7-20-17(15-18)9-14-28-20/h1-8,15H,9-14H2/b8-3+
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Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human EBI2 receptor expressed in CHO cells assessed as inhibition of NIBR51-induced intracellular calcium release ...


J Med Chem 57: 3358-68 (2014)


Article DOI: 10.1021/jm4019355
BindingDB Entry DOI: 10.7270/Q2BG2QJ5
More data for this
Ligand-Target Pair
G-protein coupled receptor 183


(Homo sapiens (Human))
BDBM50011717
PNG
(CHEMBL3262876)
Show SMILES O=C(COc1ccc2ccccc2c1)N1CCN(CC1)C(=O)Cc1ccccc1
Show InChI InChI=1S/C24H24N2O3/c27-23(16-19-6-2-1-3-7-19)25-12-14-26(15-13-25)24(28)18-29-22-11-10-20-8-4-5-9-21(20)17-22/h1-11,17H,12-16,18H2
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Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at EBI2 receptor in human U937 cells assessed as inhibition of 7-alpha,25-OHC-induced cell migration after 3 hrs by flow cytometr...


J Med Chem 57: 3358-68 (2014)


Article DOI: 10.1021/jm4019355
BindingDB Entry DOI: 10.7270/Q2BG2QJ5
More data for this
Ligand-Target Pair
G-protein coupled receptor 183


(Mus musculus)
BDBM50011701
PNG
(CHEMBL3262895)
Show SMILES Brc1ccc(\C=C\C(=O)N2CCN(CC2)C(=O)c2ccc3OCCc3c2)cc1
Show InChI InChI=1S/C22H21BrN2O3/c23-19-5-1-16(2-6-19)3-8-21(26)24-10-12-25(13-11-24)22(27)18-4-7-20-17(15-18)9-14-28-20/h1-8,15H,9-14H2/b8-3+
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Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant mouse EBI2 receptor expressed in CHO cells assessed as inhibition of NIBR51-induced intracellular calcium release ...


J Med Chem 57: 3358-68 (2014)


Article DOI: 10.1021/jm4019355
BindingDB Entry DOI: 10.7270/Q2BG2QJ5
More data for this
Ligand-Target Pair
EDNRA


(RAT)
BDBM50094002
PNG
(2-(3-Carboxy-benzyl)-4-(6-chloro-benzo[1,3]dioxol-...)
Show SMILES OC(=O)c1c(Cc2cc3OCOc3cc2Cl)c(nn1Cc1cccc(c1)C(O)=O)-c1cccs1
Show InChI InChI=1S/C24H17ClN2O6S/c25-17-10-19-18(32-12-33-19)9-15(17)8-16-21(20-5-2-6-34-20)26-27(22(16)24(30)31)11-13-3-1-4-14(7-13)23(28)29/h1-7,9-10H,8,11-12H2,(H,28,29)(H,30,31)
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Hoechst Marion Roussel

Curated by ChEMBL


Assay Description
In vitro binding affinity to endothelin A receptor in rat heart ventricles


Bioorg Med Chem Lett 10: 2575-8 (2001)


BindingDB Entry DOI: 10.7270/Q22R3QW9
More data for this
Ligand-Target Pair
EDNRB


(RAT)
BDBM50093990
PNG
(4-(6-Chloro-benzo[1,3]dioxol-5-ylmethyl)-2-cyclohe...)
Show SMILES OC(=O)c1c(Cc2cc3OCOc3cc2Cl)c(nn1CC1CCCCC1)-c1cccnc1
Show InChI InChI=1S/C24H24ClN3O4/c25-19-11-21-20(31-14-32-21)10-17(19)9-18-22(16-7-4-8-26-12-16)27-28(23(18)24(29)30)13-15-5-2-1-3-6-15/h4,7-8,10-12,15H,1-3,5-6,9,13-14H2,(H,29,30)
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Hoechst Marion Roussel

Curated by ChEMBL


Assay Description
In vitro binding affinity to endothelin B receptor in rat cerebellum


Bioorg Med Chem Lett 10: 2575-8 (2001)


BindingDB Entry DOI: 10.7270/Q22R3QW9
More data for this
Ligand-Target Pair
G-protein coupled receptor 183


(Homo sapiens (Human))
BDBM50011716
PNG
(CHEMBL3262896)
Show SMILES COc1ccc(cc1)C(=O)N1CCN(CC1)C(=O)\C=C\c1ccc(Br)cc1
Show InChI InChI=1S/C21H21BrN2O3/c1-27-19-9-5-17(6-10-19)21(26)24-14-12-23(13-15-24)20(25)11-4-16-2-7-18(22)8-3-16/h2-11H,12-15H2,1H3/b11-4+
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Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human EBI2 receptor expressed in CHO cells assessed as inhibition of 0.1 nM oxysterol-induced [35S]GTPgammaS bindi...


J Med Chem 57: 3358-68 (2014)


Article DOI: 10.1021/jm4019355
BindingDB Entry DOI: 10.7270/Q2BG2QJ5
More data for this
Ligand-Target Pair
G-protein coupled receptor 183


(Homo sapiens (Human))
BDBM50011716
PNG
(CHEMBL3262896)
Show SMILES COc1ccc(cc1)C(=O)N1CCN(CC1)C(=O)\C=C\c1ccc(Br)cc1
Show InChI InChI=1S/C21H21BrN2O3/c1-27-19-9-5-17(6-10-19)21(26)24-14-12-23(13-15-24)20(25)11-4-16-2-7-18(22)8-3-16/h2-11H,12-15H2,1H3/b11-4+
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Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human EBI2 receptor expressed in CHO cells assessed as inhibition of 0.33 nM oxysterol-induced [35S]GTPgammaS bind...


J Med Chem 57: 3358-68 (2014)


Article DOI: 10.1021/jm4019355
BindingDB Entry DOI: 10.7270/Q2BG2QJ5
More data for this
Ligand-Target Pair
EDNRB


(RAT)
BDBM50093981
PNG
(2-(2-Carboxymethoxy-4-methoxy-benzyl)-4-(6-chloro-...)
Show SMILES COc1ccc(Cn2nc(c(Cc3cc4OCOc4cc3Cl)c2C(O)=O)-c2cccs2)c(OCC(O)=O)c1
Show InChI InChI=1S/C26H21ClN2O8S/c1-34-16-5-4-14(19(9-16)35-12-23(30)31)11-29-25(26(32)33)17(24(28-29)22-3-2-6-38-22)7-15-8-20-21(10-18(15)27)37-13-36-20/h2-6,8-10H,7,11-13H2,1H3,(H,30,31)(H,32,33)
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Hoechst Marion Roussel

Curated by ChEMBL


Assay Description
In vitro binding affinity to endothelin B receptor in rat cerebellum


Bioorg Med Chem Lett 10: 2575-8 (2001)


BindingDB Entry DOI: 10.7270/Q22R3QW9
More data for this
Ligand-Target Pair
G-protein coupled receptor 183


(Homo sapiens (Human))
BDBM50011716
PNG
(CHEMBL3262896)
Show SMILES COc1ccc(cc1)C(=O)N1CCN(CC1)C(=O)\C=C\c1ccc(Br)cc1
Show InChI InChI=1S/C21H21BrN2O3/c1-27-19-9-5-17(6-10-19)21(26)24-14-12-23(13-15-24)20(25)11-4-16-2-7-18(22)8-3-16/h2-11H,12-15H2,1H3/b11-4+
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Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at EBI2 receptor in human U937 cells assessed as inhibition of oxysterol-induced calcium release measured for 3 mins by FLIPR ass...


J Med Chem 57: 3358-68 (2014)


Article DOI: 10.1021/jm4019355
BindingDB Entry DOI: 10.7270/Q2BG2QJ5
More data for this
Ligand-Target Pair
EDNRB


(RAT)
BDBM50094001
PNG
(4-(6-Chloro-benzo[1,3]dioxol-5-ylmethyl)-2-(3,5-di...)
Show SMILES COc1cc(Cn2nc(c(Cc3cc4OCOc4cc3Cl)c2C(O)=O)-c2ccccc2)cc(OC)c1
Show InChI InChI=1S/C27H23ClN2O6/c1-33-19-8-16(9-20(12-19)34-2)14-30-26(27(31)32)21(25(29-30)17-6-4-3-5-7-17)10-18-11-23-24(13-22(18)28)36-15-35-23/h3-9,11-13H,10,14-15H2,1-2H3,(H,31,32)
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Hoechst Marion Roussel

Curated by ChEMBL


Assay Description
In vitro binding affinity to endothelin B receptor in rat cerebellum


Bioorg Med Chem Lett 10: 2575-8 (2001)


BindingDB Entry DOI: 10.7270/Q22R3QW9
More data for this
Ligand-Target Pair
EDNRB


(RAT)
BDBM50093987
PNG
(4-(6-Chloro-benzo[1,3]dioxol-5-ylmethyl)-2-cyclohe...)
Show SMILES OC(=O)c1c(Cc2cc3OCOc3cc2Cl)c(nn1CC1CCCCC1)-c1ccco1
Show InChI InChI=1S/C23H23ClN2O5/c24-17-11-20-19(30-13-31-20)10-15(17)9-16-21(18-7-4-8-29-18)25-26(22(16)23(27)28)12-14-5-2-1-3-6-14/h4,7-8,10-11,14H,1-3,5-6,9,12-13H2,(H,27,28)
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Hoechst Marion Roussel

Curated by ChEMBL


Assay Description
In vitro binding affinity to endothelin B receptor in rat cerebellum


Bioorg Med Chem Lett 10: 2575-8 (2001)


BindingDB Entry DOI: 10.7270/Q22R3QW9
More data for this
Ligand-Target Pair
EDNRB


(RAT)
BDBM50094000
PNG
(2-(3-Carboxy-cyclohexylmethyl)-4-(6-chloro-benzo[1...)
Show SMILES OC(=O)C1CCCC(Cn2nc(c(Cc3cc4OCOc4cc3Cl)c2C(O)=O)-c2cccs2)C1
Show InChI InChI=1S/C24H23ClN2O6S/c25-17-10-19-18(32-12-33-19)9-15(17)8-16-21(20-5-2-6-34-20)26-27(22(16)24(30)31)11-13-3-1-4-14(7-13)23(28)29/h2,5-6,9-10,13-14H,1,3-4,7-8,11-12H2,(H,28,29)(H,30,31)
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n/an/a 9.90n/an/an/an/an/an/a



Hoechst Marion Roussel

Curated by ChEMBL


Assay Description
In vitro binding affinity to endothelin B receptor in rat cerebellum


Bioorg Med Chem Lett 10: 2575-8 (2001)


BindingDB Entry DOI: 10.7270/Q22R3QW9
More data for this
Ligand-Target Pair
G-protein coupled receptor 183


(Homo sapiens (Human))
BDBM50011716
PNG
(CHEMBL3262896)
Show SMILES COc1ccc(cc1)C(=O)N1CCN(CC1)C(=O)\C=C\c1ccc(Br)cc1
Show InChI InChI=1S/C21H21BrN2O3/c1-27-19-9-5-17(6-10-19)21(26)24-14-12-23(13-15-24)20(25)11-4-16-2-7-18(22)8-3-16/h2-11H,12-15H2,1H3/b11-4+
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Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human EBI2 receptor expressed in CHO cells assessed as inhibition of NIBR51-induced intracellular calcium release ...


J Med Chem 57: 3358-68 (2014)


Article DOI: 10.1021/jm4019355
BindingDB Entry DOI: 10.7270/Q2BG2QJ5
More data for this
Ligand-Target Pair
EDNRA


(RAT)
BDBM50093994
PNG
(2-(4-Carboxy-benzyl)-4-(6-chloro-benzo[1,3]dioxol-...)
Show SMILES OC(=O)c1c(Cc2cc3OCOc3cc2Cl)c(nn1Cc1ccc(cc1)C(O)=O)-c1ccccc1
Show InChI InChI=1S/C26H19ClN2O6/c27-20-12-22-21(34-14-35-22)11-18(20)10-19-23(16-4-2-1-3-5-16)28-29(24(19)26(32)33)13-15-6-8-17(9-7-15)25(30)31/h1-9,11-12H,10,13-14H2,(H,30,31)(H,32,33)
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Hoechst Marion Roussel

Curated by ChEMBL


Assay Description
In vitro binding affinity to endothelin A receptor in rat heart ventricles


Bioorg Med Chem Lett 10: 2575-8 (2001)


BindingDB Entry DOI: 10.7270/Q22R3QW9
More data for this
Ligand-Target Pair
EDNRB


(RAT)
BDBM50093998
PNG
(4-(6-Chloro-benzo[1,3]dioxol-5-ylmethyl)-2-(3-chlo...)
Show SMILES OC(=O)c1c(Cc2cc3OCOc3cc2Cl)c(nn1Cc1cccc(Cl)c1)-c1ccccc1
Show InChI InChI=1S/C25H18Cl2N2O4/c26-18-8-4-5-15(9-18)13-29-24(25(30)31)19(23(28-29)16-6-2-1-3-7-16)10-17-11-21-22(12-20(17)27)33-14-32-21/h1-9,11-12H,10,13-14H2,(H,30,31)
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Hoechst Marion Roussel

Curated by ChEMBL


Assay Description
In vitro binding affinity to endothelin B receptor in rat cerebellum


Bioorg Med Chem Lett 10: 2575-8 (2001)


BindingDB Entry DOI: 10.7270/Q22R3QW9
More data for this
Ligand-Target Pair
G-protein coupled receptor 183


(Homo sapiens (Human))
BDBM50011689
PNG
(CHEMBL3262892)
Show SMILES COc1ccc(\C=C\C(=O)N2CCN(CC2)C(=O)c2ccc(Cl)c(C)c2)cc1
Show InChI InChI=1S/C22H23ClN2O3/c1-16-15-18(6-9-20(16)23)22(27)25-13-11-24(12-14-25)21(26)10-5-17-3-7-19(28-2)8-4-17/h3-10,15H,11-14H2,1-2H3/b10-5+
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Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human EBI2 receptor expressed in CHO cells assessed as inhibition of NIBR51-induced intracellular calcium release ...


J Med Chem 57: 3358-68 (2014)


Article DOI: 10.1021/jm4019355
BindingDB Entry DOI: 10.7270/Q2BG2QJ5
More data for this
Ligand-Target Pair
G-protein coupled receptor 183


(Mus musculus)
BDBM50011716
PNG
(CHEMBL3262896)
Show SMILES COc1ccc(cc1)C(=O)N1CCN(CC1)C(=O)\C=C\c1ccc(Br)cc1
Show InChI InChI=1S/C21H21BrN2O3/c1-27-19-9-5-17(6-10-19)21(26)24-14-12-23(13-15-24)20(25)11-4-16-2-7-18(22)8-3-16/h2-11H,12-15H2,1H3/b11-4+
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Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant mouse EBI2 receptor expressed in CHO cells assessed as inhibition of NIBR51-induced intracellular calcium release ...


J Med Chem 57: 3358-68 (2014)


Article DOI: 10.1021/jm4019355
BindingDB Entry DOI: 10.7270/Q2BG2QJ5
More data for this
Ligand-Target Pair
EDNRA


(RAT)
BDBM50093981
PNG
(2-(2-Carboxymethoxy-4-methoxy-benzyl)-4-(6-chloro-...)
Show SMILES COc1ccc(Cn2nc(c(Cc3cc4OCOc4cc3Cl)c2C(O)=O)-c2cccs2)c(OCC(O)=O)c1
Show InChI InChI=1S/C26H21ClN2O8S/c1-34-16-5-4-14(19(9-16)35-12-23(30)31)11-29-25(26(32)33)17(24(28-29)22-3-2-6-38-22)7-15-8-20-21(10-18(15)27)37-13-36-20/h2-6,8-10H,7,11-13H2,1H3,(H,30,31)(H,32,33)
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Hoechst Marion Roussel

Curated by ChEMBL


Assay Description
In vitro binding affinity to endothelin A receptor in rat heart ventricles


Bioorg Med Chem Lett 10: 2575-8 (2001)


BindingDB Entry DOI: 10.7270/Q22R3QW9
More data for this
Ligand-Target Pair
EDNRA


(RAT)
BDBM50093992
PNG
(4-(6-Chloro-benzo[1,3]dioxol-5-ylmethyl)-2-(2-ethy...)
Show SMILES CCC(CC)Cn1nc(c(Cc2cc3OCOc3cc2Cl)c1C(O)=O)-c1ccccc1
Show InChI InChI=1S/C24H25ClN2O4/c1-3-15(4-2)13-27-23(24(28)29)18(22(26-27)16-8-6-5-7-9-16)10-17-11-20-21(12-19(17)25)31-14-30-20/h5-9,11-12,15H,3-4,10,13-14H2,1-2H3,(H,28,29)
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Hoechst Marion Roussel

Curated by ChEMBL


Assay Description
In vitro binding affinity to endothelin A receptor in rat heart ventricles


Bioorg Med Chem Lett 10: 2575-8 (2001)


BindingDB Entry DOI: 10.7270/Q22R3QW9
More data for this
Ligand-Target Pair
EDNRB


(RAT)
BDBM50093999
PNG
(2-(3-Carboxy-cyclohexylmethyl)-4-(6-chloro-benzo[1...)
Show SMILES OC(=O)C1CCCC(Cn2nc(c(Cc3cc4OCOc4cc3Cl)c2C(O)=O)-c2ccccc2)C1
Show InChI InChI=1S/C26H25ClN2O6/c27-20-12-22-21(34-14-35-22)11-18(20)10-19-23(16-6-2-1-3-7-16)28-29(24(19)26(32)33)13-15-5-4-8-17(9-15)25(30)31/h1-3,6-7,11-12,15,17H,4-5,8-10,13-14H2,(H,30,31)(H,32,33)
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Hoechst Marion Roussel

Curated by ChEMBL


Assay Description
In vitro binding affinity to endothelin B receptor in rat cerebellum


Bioorg Med Chem Lett 10: 2575-8 (2001)


BindingDB Entry DOI: 10.7270/Q22R3QW9
More data for this
Ligand-Target Pair
G-protein coupled receptor 183


(Homo sapiens (Human))
BDBM50011692
PNG
(CHEMBL3262894)
Show SMILES Clc1ccc(\C=C\C(=O)N2CCN(CC2)C(=O)c2ccc3OCCc3c2)cc1
Show InChI InChI=1S/C22H21ClN2O3/c23-19-5-1-16(2-6-19)3-8-21(26)24-10-12-25(13-11-24)22(27)18-4-7-20-17(15-18)9-14-28-20/h1-8,15H,9-14H2/b8-3+
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Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human EBI2 receptor expressed in CHO cells assessed as inhibition of NIBR51-induced intracellular calcium release ...


J Med Chem 57: 3358-68 (2014)


Article DOI: 10.1021/jm4019355
BindingDB Entry DOI: 10.7270/Q2BG2QJ5
More data for this
Ligand-Target Pair
G-protein coupled receptor 183


(Homo sapiens (Human))
BDBM50011725
PNG
(CHEMBL3262883)
Show SMILES Cc1ccc(\C=C\C(=O)N2CCN(CC2)C(=O)Cc2ccccc2)cc1F
Show InChI InChI=1S/C22H23FN2O2/c1-17-7-8-19(15-20(17)23)9-10-21(26)24-11-13-25(14-12-24)22(27)16-18-5-3-2-4-6-18/h2-10,15H,11-14,16H2,1H3/b10-9+
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Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human EBI2 receptor expressed in CHO cells assessed as inhibition of NIBR51-induced intracellular calcium release ...


J Med Chem 57: 3358-68 (2014)


Article DOI: 10.1021/jm4019355
BindingDB Entry DOI: 10.7270/Q2BG2QJ5
More data for this
Ligand-Target Pair
EDNRA


(RAT)
BDBM50093998
PNG
(4-(6-Chloro-benzo[1,3]dioxol-5-ylmethyl)-2-(3-chlo...)
Show SMILES OC(=O)c1c(Cc2cc3OCOc3cc2Cl)c(nn1Cc1cccc(Cl)c1)-c1ccccc1
Show InChI InChI=1S/C25H18Cl2N2O4/c26-18-8-4-5-15(9-18)13-29-24(25(30)31)19(23(28-29)16-6-2-1-3-7-16)10-17-11-21-22(12-20(17)27)33-14-32-21/h1-9,11-12H,10,13-14H2,(H,30,31)
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Hoechst Marion Roussel

Curated by ChEMBL


Assay Description
In vitro binding affinity to endothelin A receptor in rat heart ventricles


Bioorg Med Chem Lett 10: 2575-8 (2001)


BindingDB Entry DOI: 10.7270/Q22R3QW9
More data for this
Ligand-Target Pair
G-protein coupled receptor 183


(Homo sapiens (Human))
BDBM50011578
PNG
(CHEMBL3262890)
Show SMILES COC(=O)c1ccc(cc1)C(=O)N1CCN(CC1)C(=O)\C=C\c1ccc(OC)cc1
Show InChI InChI=1S/C23H24N2O5/c1-29-20-10-3-17(4-11-20)5-12-21(26)24-13-15-25(16-14-24)22(27)18-6-8-19(9-7-18)23(28)30-2/h3-12H,13-16H2,1-2H3/b12-5+
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Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human EBI2 receptor expressed in CHO cells assessed as inhibition of NIBR51-induced intracellular calcium release ...


J Med Chem 57: 3358-68 (2014)


Article DOI: 10.1021/jm4019355
BindingDB Entry DOI: 10.7270/Q2BG2QJ5
More data for this
Ligand-Target Pair
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