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Compile Data Set for Download or QSAR

Found 210 hits from BASF AG   
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
EDNRA


()
BDBM50050807
PNG
(3-Methoxy-2-(4-methoxy-6-methyl-pyrimidin-2-yloxy)...)
Show SMILES COc1cc(C)nc(OC(C(O)=O)C(OC)(c2ccccc2)c2ccccc2)n1
Show InChI InChI=1S/C22H22N2O5/c1-15-14-18(27-2)24-21(23-15)29-19(20(25)26)22(28-3,16-10-6-4-7-11-16)17-12-8-5-9-13-17/h4-14,19H,1-3H3,(H,25,26)
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0.120n/an/an/an/an/an/an/an/a



BASF AG

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards human Endothelin A receptor by measuring its ability to displace [125I]-ET-1 from CHO cells


J Med Chem 39: 2123-8 (1996)


Article DOI: 10.1021/jm960274q
BindingDB Entry DOI: 10.7270/Q2G44PDH
More data for this
Ligand-Target Pair
EDNRA


()
BDBM50050793
PNG
(3-Methoxy-2-(4-methoxy-6,7-dihydro-5H-cyclopentapy...)
Show SMILES COc1nc(OC(C(O)=O)C(OC)(c2ccccc2)c2ccccc2)nc2CCCc12
Show InChI InChI=1S/C24H24N2O5/c1-29-21-18-14-9-15-19(18)25-23(26-21)31-20(22(27)28)24(30-2,16-10-5-3-6-11-16)17-12-7-4-8-13-17/h3-8,10-13,20H,9,14-15H2,1-2H3,(H,27,28)
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0.400n/an/an/an/an/an/an/an/a



BASF AG

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards human Endothelin A receptor by measuring its ability to displace [125I]-ET-1 from CHO cells


J Med Chem 39: 2123-8 (1996)


Article DOI: 10.1021/jm960274q
BindingDB Entry DOI: 10.7270/Q2G44PDH
More data for this
Ligand-Target Pair
EDNRA


()
BDBM50079431
PNG
(3-(3,4-Dimethoxy-phenoxy)-2-(4,6-dimethyl-pyrimidi...)
Show SMILES COc1ccc(OC(C(Oc2nc(C)cc(C)n2)C(O)=O)(c2ccccc2)c2ccccc2)cc1OC
Show InChI InChI=1S/C29H28N2O6/c1-19-17-20(2)31-28(30-19)36-26(27(32)33)29(21-11-7-5-8-12-21,22-13-9-6-10-14-22)37-23-15-16-24(34-3)25(18-23)35-4/h5-18,26H,1-4H3,(H,32,33)
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0.480n/an/an/an/an/an/an/an/a



BASF AG

Curated by ChEMBL


Assay Description
Inhibition of [125I]-ET-1 (ETA assay) binding to human cloned Endothelin A receptor in CHO cells


J Med Chem 42: 3026-32 (1999)


Article DOI: 10.1021/jm9910425
BindingDB Entry DOI: 10.7270/Q2HD7TV6
More data for this
Ligand-Target Pair
EDNRA


()
BDBM50050789
PNG
(2-(4-Ethyl-6-methyl-pyrimidin-2-yloxy)-3-methoxy-3...)
Show SMILES CCc1cc(C)nc(OC(C(O)=O)C(OC)(c2ccccc2)c2ccccc2)n1
Show InChI InChI=1S/C23H24N2O4/c1-4-19-15-16(2)24-22(25-19)29-20(21(26)27)23(28-3,17-11-7-5-8-12-17)18-13-9-6-10-14-18/h5-15,20H,4H2,1-3H3,(H,26,27)
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0.700n/an/an/an/an/an/an/an/a



BASF AG

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards human Endothelin A receptor by measuring its ability to displace [125I]-ET-1 from CHO cells


J Med Chem 39: 2123-8 (1996)


Article DOI: 10.1021/jm960274q
BindingDB Entry DOI: 10.7270/Q2G44PDH
More data for this
Ligand-Target Pair
EDNRA


()
BDBM50050800
PNG
(3-Methoxy-2-(4-methoxy-5,6-dihydro-furo[2,3-d]pyri...)
Show SMILES COc1nc(OC(C(O)=O)C(OC)(c2ccccc2)c2ccccc2)nc2OCCc12
Show InChI InChI=1S/C23H22N2O6/c1-28-19-17-13-14-30-20(17)25-22(24-19)31-18(21(26)27)23(29-2,15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,18H,13-14H2,1-2H3,(H,26,27)
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0.900n/an/an/an/an/an/an/an/a



BASF AG

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards human Endothelin A receptor by measuring its ability to displace [125I]-ET-1 from CHO cells


J Med Chem 39: 2123-8 (1996)


Article DOI: 10.1021/jm960274q
BindingDB Entry DOI: 10.7270/Q2G44PDH
More data for this
Ligand-Target Pair
EDNRA


()
BDBM50050806
PNG
(2-(4,6-Dimethyl-pyrimidin-2-yloxy)-3-methoxy-3,3-d...)
Show SMILES COC(C(Oc1nc(C)cc(C)n1)C(O)=O)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C22H22N2O4/c1-15-14-16(2)24-21(23-15)28-19(20(25)26)22(27-3,17-10-6-4-7-11-17)18-12-8-5-9-13-18/h4-14,19H,1-3H3,(H,25,26)
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1n/an/an/an/an/an/an/an/a



BASF AG

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards human Endothelin A receptor by measuring its ability to displace [125I]-ET-1 from CHO cells


J Med Chem 39: 2123-8 (1996)


Article DOI: 10.1021/jm960274q
BindingDB Entry DOI: 10.7270/Q2G44PDH
More data for this
Ligand-Target Pair
EDNRA


()
BDBM50050796
PNG
(2-(4,6-Diethyl-pyrimidin-2-yloxy)-3-methoxy-3,3-di...)
Show SMILES CCc1cc(CC)nc(OC(C(O)=O)C(OC)(c2ccccc2)c2ccccc2)n1
Show InChI InChI=1S/C24H26N2O4/c1-4-19-16-20(5-2)26-23(25-19)30-21(22(27)28)24(29-3,17-12-8-6-9-13-17)18-14-10-7-11-15-18/h6-16,21H,4-5H2,1-3H3,(H,27,28)
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1n/an/an/an/an/an/an/an/a



BASF AG

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards human Endothelin A receptor by measuring its ability to displace [125I]-ET-1 from CHO cells


J Med Chem 39: 2123-8 (1996)


Article DOI: 10.1021/jm960274q
BindingDB Entry DOI: 10.7270/Q2G44PDH
More data for this
Ligand-Target Pair
EDNRA


()
BDBM50079426
PNG
(2-(4,6-Dimethyl-pyrimidin-2-yloxy)-3,3-diphenyl-3-...)
Show SMILES COc1cc(CCOC(C(Oc2nc(C)cc(C)n2)C(O)=O)(c2ccccc2)c2ccccc2)cc(OC)c1OC
Show InChI InChI=1S/C32H34N2O7/c1-21-18-22(2)34-31(33-21)41-29(30(35)36)32(24-12-8-6-9-13-24,25-14-10-7-11-15-25)40-17-16-23-19-26(37-3)28(39-5)27(20-23)38-4/h6-15,18-20,29H,16-17H2,1-5H3,(H,35,36)
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1.38n/an/an/an/an/an/an/an/a



BASF AG

Curated by ChEMBL


Assay Description
Inhibition of [125I]-ET-1 (ETA assay) binding to human cloned Endothelin A receptor in CHO cells


J Med Chem 42: 3026-32 (1999)


Article DOI: 10.1021/jm9910425
BindingDB Entry DOI: 10.7270/Q2HD7TV6
More data for this
Ligand-Target Pair
EDNRA


()
BDBM50079432
PNG
(4-{2-[2-Carboxy-2-(4,6-dimethyl-pyrimidin-2-yloxy)...)
Show SMILES Cc1cc(C)nc(OC(C(O)=O)C(OCCc2ccc(cc2)C(O)=O)(c2ccccc2)c2ccccc2)n1
Show InChI InChI=1S/C30H28N2O6/c1-20-19-21(2)32-29(31-20)38-26(28(35)36)30(24-9-5-3-6-10-24,25-11-7-4-8-12-25)37-18-17-22-13-15-23(16-14-22)27(33)34/h3-16,19,26H,17-18H2,1-2H3,(H,33,34)(H,35,36)
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1.5n/an/an/an/an/an/an/an/a



BASF AG

Curated by ChEMBL


Assay Description
Inhibition of [125I]-ET-1 (ETA assay) binding to human cloned Endothelin A receptor in CHO cells


J Med Chem 42: 3026-32 (1999)


Article DOI: 10.1021/jm9910425
BindingDB Entry DOI: 10.7270/Q2HD7TV6
More data for this
Ligand-Target Pair
EDNRA


()
BDBM50079430
PNG
(3-[2-(4-Carboxymethoxy-3-methoxy-phenyl)-ethoxy]-2...)
Show SMILES COc1cc(CCOC(C(Oc2nc(C)cc(C)n2)C(O)=O)(c2ccccc2)c2ccccc2)ccc1OCC(O)=O
Show InChI InChI=1S/C32H32N2O8/c1-21-18-22(2)34-31(33-21)42-29(30(37)38)32(24-10-6-4-7-11-24,25-12-8-5-9-13-25)41-17-16-23-14-15-26(27(19-23)39-3)40-20-28(35)36/h4-15,18-19,29H,16-17,20H2,1-3H3,(H,35,36)(H,37,38)
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1.92n/an/an/an/an/an/an/an/a



BASF AG

Curated by ChEMBL


Assay Description
Inhibition of [125I]-ET-1 (ETA assay) binding to human cloned Endothelin A receptor in CHO cells


J Med Chem 42: 3026-32 (1999)


Article DOI: 10.1021/jm9910425
BindingDB Entry DOI: 10.7270/Q2HD7TV6
More data for this
Ligand-Target Pair
EDNRA


()
BDBM50079439
PNG
(2-(4-Methoxy-6-methyl-pyrimidin-2-yloxy)-3-[2-(4-m...)
Show SMILES COc1ccc(CCOC(C(Oc2nc(C)cc(OC)n2)C(O)=O)(c2ccccc2)c2ccccc2)cc1
Show InChI InChI=1S/C30H30N2O6/c1-21-20-26(36-3)32-29(31-21)38-27(28(33)34)30(23-10-6-4-7-11-23,24-12-8-5-9-13-24)37-19-18-22-14-16-25(35-2)17-15-22/h4-17,20,27H,18-19H2,1-3H3,(H,33,34)
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1.95n/an/an/an/an/an/an/an/a



BASF AG

Curated by ChEMBL


Assay Description
Inhibition of [125I]-ET-1 (ETA assay) binding to human cloned Endothelin A receptor in CHO cells


J Med Chem 42: 3026-32 (1999)


Article DOI: 10.1021/jm9910425
BindingDB Entry DOI: 10.7270/Q2HD7TV6
More data for this
Ligand-Target Pair
EDNRA


()
BDBM50079438
PNG
(3-(3,4-Dimethoxy-benzyloxy)-2-(4,6-dimethyl-pyrimi...)
Show SMILES COc1ccc(COC(C(Oc2nc(C)cc(C)n2)C(O)=O)(c2ccccc2)c2ccccc2)cc1OC
Show InChI InChI=1S/C30H30N2O6/c1-20-17-21(2)32-29(31-20)38-27(28(33)34)30(23-11-7-5-8-12-23,24-13-9-6-10-14-24)37-19-22-15-16-25(35-3)26(18-22)36-4/h5-18,27H,19H2,1-4H3,(H,33,34)
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2n/an/an/an/an/an/an/an/a



BASF AG

Curated by ChEMBL


Assay Description
Inhibition of [125I]-ET-1 (ETA assay) binding to human cloned Endothelin A receptor in CHO cells


J Med Chem 42: 3026-32 (1999)


Article DOI: 10.1021/jm9910425
BindingDB Entry DOI: 10.7270/Q2HD7TV6
More data for this
Ligand-Target Pair
EDNRA


()
BDBM50127760
PNG
(2-[4-(4-Ethoxy-phenyl)-6-methyl-pyrimidin-2-yloxy]...)
Show SMILES CCOc1ccc(cc1)-c1cc(C)nc(OC(C(O)=O)C(C)(c2ccccc2)c2ccccc2)n1
Show InChI InChI=1S/C29H28N2O4/c1-4-34-24-17-15-21(16-18-24)25-19-20(2)30-28(31-25)35-26(27(32)33)29(3,22-11-7-5-8-12-22)23-13-9-6-10-14-23/h5-19,26H,4H2,1-3H3,(H,32,33)
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2n/an/an/an/an/an/an/an/a



BASF AG

Curated by ChEMBL


Assay Description
Antagonist activity of the compound against human ETA receptor using CHO cells


Bioorg Med Chem Lett 13: 1721-4 (2003)


Article DOI: 10.1016/s0960-894x(03)00236-1
BindingDB Entry DOI: 10.7270/Q2DJ5F1K
More data for this
Ligand-Target Pair
EDNRA


()
BDBM50079424
PNG
((S)-3-[2-(3,4-Dimethoxy-phenyl)-ethoxy]-2-(4,6-dim...)
Show SMILES COc1ccc(CCOC([C@H](Oc2nc(C)cc(C)n2)C(O)=O)(c2ccccc2)c2ccccc2)cc1OC
Show InChI InChI=1S/C31H32N2O6/c1-21-19-22(2)33-30(32-21)39-28(29(34)35)31(24-11-7-5-8-12-24,25-13-9-6-10-14-25)38-18-17-23-15-16-26(36-3)27(20-23)37-4/h5-16,19-20,28H,17-18H2,1-4H3,(H,34,35)/t28-/m1/s1
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2.15n/an/an/an/an/an/an/an/a



BASF AG

Curated by ChEMBL


Assay Description
Inhibition of [125I]-ET-1 (ETA assay) binding to human cloned Endothelin A receptor in CHO cells


J Med Chem 42: 3026-32 (1999)


Article DOI: 10.1021/jm9910425
BindingDB Entry DOI: 10.7270/Q2HD7TV6
More data for this
Ligand-Target Pair
EDNRA


()
BDBM50079429
PNG
(3-[2-(3,4-Dimethoxy-phenyl)-ethoxy]-2-(4-methoxy-6...)
Show SMILES COc1cc(C)nc(OC(C(O)=O)C(OCCc2ccc(OC)c(OC)c2)(c2ccccc2)c2ccccc2)n1
Show InChI InChI=1S/C31H32N2O7/c1-21-19-27(38-4)33-30(32-21)40-28(29(34)35)31(23-11-7-5-8-12-23,24-13-9-6-10-14-24)39-18-17-22-15-16-25(36-2)26(20-22)37-3/h5-16,19-20,28H,17-18H2,1-4H3,(H,34,35)
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2.37n/an/an/an/an/an/an/an/a



BASF AG

Curated by ChEMBL


Assay Description
Inhibition of [125I]-ET-1 (ETA assay) binding to human cloned Endothelin A receptor in CHO cells


J Med Chem 42: 3026-32 (1999)


Article DOI: 10.1021/jm9910425
BindingDB Entry DOI: 10.7270/Q2HD7TV6
More data for this
Ligand-Target Pair
EDNRA


()
BDBM50079435
PNG
(2-(4,6-Dimethyl-pyrimidin-2-yloxy)-3-[2-(4-ethoxy-...)
Show SMILES CCOc1ccc(CCOC(C(Oc2nc(C)cc(C)n2)C(O)=O)(c2ccccc2)c2ccccc2)cc1OC
Show InChI InChI=1S/C32H34N2O6/c1-5-38-27-17-16-24(21-28(27)37-4)18-19-39-32(25-12-8-6-9-13-25,26-14-10-7-11-15-26)29(30(35)36)40-31-33-22(2)20-23(3)34-31/h6-17,20-21,29H,5,18-19H2,1-4H3,(H,35,36)
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3.13n/an/an/an/an/an/an/an/a



BASF AG

Curated by ChEMBL


Assay Description
Inhibition of [125I]-ET-1 (ETA assay) binding to human cloned Endothelin A receptor in CHO cells


J Med Chem 42: 3026-32 (1999)


Article DOI: 10.1021/jm9910425
BindingDB Entry DOI: 10.7270/Q2HD7TV6
More data for this
Ligand-Target Pair
EDNRB


(HUMAN)
BDBM50079426
PNG
(2-(4,6-Dimethyl-pyrimidin-2-yloxy)-3,3-diphenyl-3-...)
Show SMILES COc1cc(CCOC(C(Oc2nc(C)cc(C)n2)C(O)=O)(c2ccccc2)c2ccccc2)cc(OC)c1OC
Show InChI InChI=1S/C32H34N2O7/c1-21-18-22(2)34-31(33-21)41-29(30(35)36)32(24-12-8-6-9-13-24,25-14-10-7-11-15-25)40-17-16-23-19-26(37-3)28(39-5)27(20-23)38-4/h6-15,18-20,29H,16-17H2,1-5H3,(H,35,36)
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3.21n/an/an/an/an/an/an/an/a



BASF AG

Curated by ChEMBL


Assay Description
Inhibition of [125I]-ET-3 (ETB assay) binding to human cloned Endothelin B receptor in CHO cells


J Med Chem 42: 3026-32 (1999)


Article DOI: 10.1021/jm9910425
BindingDB Entry DOI: 10.7270/Q2HD7TV6
More data for this
Ligand-Target Pair
EDNRA


()
BDBM50079423
PNG
(2-(4,6-Dimethyl-pyrimidin-2-yloxy)-3-[2-(4-hydroxy...)
Show SMILES Cc1cc(C)nc(OC(C(O)=O)C(OCCc2ccc(O)cc2)(c2ccccc2)c2ccccc2)n1
Show InChI InChI=1S/C29H28N2O5/c1-20-19-21(2)31-28(30-20)36-26(27(33)34)29(23-9-5-3-6-10-23,24-11-7-4-8-12-24)35-18-17-22-13-15-25(32)16-14-22/h3-16,19,26,32H,17-18H2,1-2H3,(H,33,34)
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3.48n/an/an/an/an/an/an/an/a



BASF AG

Curated by ChEMBL


Assay Description
Inhibition of [125I]-ET-1 (ETA assay) binding to human cloned Endothelin A receptor in CHO cells


J Med Chem 42: 3026-32 (1999)


Article DOI: 10.1021/jm9910425
BindingDB Entry DOI: 10.7270/Q2HD7TV6
More data for this
Ligand-Target Pair
EDNRA


()
BDBM50079417
PNG
(3-[2-(3,4-Dimethoxy-phenyl)-ethoxy]-2-(4,6-dimethy...)
Show SMILES COc1ccc(CCOC(C(Oc2nc(C)cc(C)n2)C(O)=O)(c2ccccc2)c2ccccc2)cc1OC
Show InChI InChI=1S/C31H32N2O6/c1-21-19-22(2)33-30(32-21)39-28(29(34)35)31(24-11-7-5-8-12-24,25-13-9-6-10-14-25)38-18-17-23-15-16-26(36-3)27(20-23)37-4/h5-16,19-20,28H,17-18H2,1-4H3,(H,34,35)
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3.49n/an/an/an/an/an/an/an/a



BASF AG

Curated by ChEMBL


Assay Description
Inhibition of [125I]-ET-1 (ETA assay) binding to human cloned Endothelin A receptor in CHO cells


J Med Chem 42: 3026-32 (1999)


Article DOI: 10.1021/jm9910425
BindingDB Entry DOI: 10.7270/Q2HD7TV6
More data for this
Ligand-Target Pair
EDNRB


(HUMAN)
BDBM50079424
PNG
((S)-3-[2-(3,4-Dimethoxy-phenyl)-ethoxy]-2-(4,6-dim...)
Show SMILES COc1ccc(CCOC([C@H](Oc2nc(C)cc(C)n2)C(O)=O)(c2ccccc2)c2ccccc2)cc1OC
Show InChI InChI=1S/C31H32N2O6/c1-21-19-22(2)33-30(32-21)39-28(29(34)35)31(24-11-7-5-8-12-24,25-13-9-6-10-14-25)38-18-17-23-15-16-26(36-3)27(20-23)37-4/h5-16,19-20,28H,17-18H2,1-4H3,(H,34,35)/t28-/m1/s1
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4.75n/an/an/an/an/an/an/an/a



BASF AG

Curated by ChEMBL


Assay Description
Inhibition of [125I]-ET-3 (ETB assay) binding to human cloned Endothelin B receptor in CHO cells


J Med Chem 42: 3026-32 (1999)


Article DOI: 10.1021/jm9910425
BindingDB Entry DOI: 10.7270/Q2HD7TV6
More data for this
Ligand-Target Pair
EDNRA


()
BDBM50050794
PNG
(2-(4,6-Dimethoxy-pyrimidin-2-yloxy)-3-methoxy-3,3-...)
Show SMILES COc1cc(OC)nc(OC(C(O)=O)C(OC)(c2ccccc2)c2ccccc2)n1
Show InChI InChI=1S/C22H22N2O6/c1-27-17-14-18(28-2)24-21(23-17)30-19(20(25)26)22(29-3,15-10-6-4-7-11-15)16-12-8-5-9-13-16/h4-14,19H,1-3H3,(H,25,26)
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6n/an/an/an/an/an/an/an/a



BASF AG

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards human Endothelin A receptor by measuring its ability to displace [125I]-ET-1 from CHO cells


J Med Chem 39: 2123-8 (1996)


Article DOI: 10.1021/jm960274q
BindingDB Entry DOI: 10.7270/Q2G44PDH
More data for this
Ligand-Target Pair
EDNRA


()
BDBM50079427
PNG
(2-(4,6-Dimethyl-pyrimidin-2-yloxy)-3-[2-(4-methoxy...)
Show SMILES COc1ccc(CCOC(C(Oc2nc(C)cc(C)n2)C(O)=O)(c2ccccc2)c2ccccc2)cc1
Show InChI InChI=1S/C30H30N2O5/c1-21-20-22(2)32-29(31-21)37-27(28(33)34)30(24-10-6-4-7-11-24,25-12-8-5-9-13-25)36-19-18-23-14-16-26(35-3)17-15-23/h4-17,20,27H,18-19H2,1-3H3,(H,33,34)
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6.03n/an/an/an/an/an/an/an/a



BASF AG

Curated by ChEMBL


Assay Description
Inhibition of [125I]-ET-1 (ETA assay) binding to human cloned Endothelin A receptor in CHO cells


J Med Chem 42: 3026-32 (1999)


Article DOI: 10.1021/jm9910425
BindingDB Entry DOI: 10.7270/Q2HD7TV6
More data for this
Ligand-Target Pair
EDNRA


()
BDBM50050802
PNG
(2-(4,6-Dimethoxy-pyrimidin-2-yloxy)-3-ethoxy-3,3-d...)
Show SMILES CCOC(C(Oc1nc(OC)cc(OC)n1)C(O)=O)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C23H24N2O6/c1-4-30-23(16-11-7-5-8-12-16,17-13-9-6-10-14-17)20(21(26)27)31-22-24-18(28-2)15-19(25-22)29-3/h5-15,20H,4H2,1-3H3,(H,26,27)
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7n/an/an/an/an/an/an/an/a



BASF AG

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards human Endothelin A receptor by measuring its ability to displace [125I]-ET-1 from CHO cells


J Med Chem 39: 2123-8 (1996)


Article DOI: 10.1021/jm960274q
BindingDB Entry DOI: 10.7270/Q2G44PDH
More data for this
Ligand-Target Pair
EDNRB


(HUMAN)
BDBM50079417
PNG
(3-[2-(3,4-Dimethoxy-phenyl)-ethoxy]-2-(4,6-dimethy...)
Show SMILES COc1ccc(CCOC(C(Oc2nc(C)cc(C)n2)C(O)=O)(c2ccccc2)c2ccccc2)cc1OC
Show InChI InChI=1S/C31H32N2O6/c1-21-19-22(2)33-30(32-21)39-28(29(34)35)31(24-11-7-5-8-12-24,25-13-9-6-10-14-25)38-18-17-23-15-16-26(36-3)27(20-23)37-4/h5-16,19-20,28H,17-18H2,1-4H3,(H,34,35)
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7.15n/an/an/an/an/an/an/an/a



BASF AG

Curated by ChEMBL


Assay Description
Inhibition of [125I]-ET-3 (ETB assay) binding to human cloned Endothelin B receptor in CHO cells


J Med Chem 42: 3026-32 (1999)


Article DOI: 10.1021/jm9910425
BindingDB Entry DOI: 10.7270/Q2HD7TV6
More data for this
Ligand-Target Pair
EDNRA


()
BDBM50050790
PNG
(2-(4,6-Dimethoxy-pyrimidin-2-yloxy)-3,3-bis-(3-flu...)
Show SMILES COc1cc(OC)nc(OC(C(O)=O)C(OC)(c2cccc(F)c2)c2cccc(F)c2)n1
Show InChI InChI=1S/C22H20F2N2O6/c1-29-17-12-18(30-2)26-21(25-17)32-19(20(27)28)22(31-3,13-6-4-8-15(23)10-13)14-7-5-9-16(24)11-14/h4-12,19H,1-3H3,(H,27,28)
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11n/an/an/an/an/an/an/an/a



BASF AG

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards human Endothelin A receptor by measuring its ability to displace [125I]-ET-1 from CHO cells


J Med Chem 39: 2123-8 (1996)


Article DOI: 10.1021/jm960274q
BindingDB Entry DOI: 10.7270/Q2G44PDH
More data for this
Ligand-Target Pair
EDNRB


(HUMAN)
BDBM50079429
PNG
(3-[2-(3,4-Dimethoxy-phenyl)-ethoxy]-2-(4-methoxy-6...)
Show SMILES COc1cc(C)nc(OC(C(O)=O)C(OCCc2ccc(OC)c(OC)c2)(c2ccccc2)c2ccccc2)n1
Show InChI InChI=1S/C31H32N2O7/c1-21-19-27(38-4)33-30(32-21)40-28(29(34)35)31(23-11-7-5-8-12-23,24-13-9-6-10-14-24)39-18-17-22-15-16-25(36-2)26(20-22)37-3/h5-16,19-20,28H,17-18H2,1-4H3,(H,34,35)
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14.7n/an/an/an/an/an/an/an/a



BASF AG

Curated by ChEMBL


Assay Description
Inhibition of [125I]-ET-3 (ETB assay) binding to human cloned Endothelin B receptor in CHO cells


J Med Chem 42: 3026-32 (1999)


Article DOI: 10.1021/jm9910425
BindingDB Entry DOI: 10.7270/Q2HD7TV6
More data for this
Ligand-Target Pair
EDNRB


(HUMAN)
BDBM50079423
PNG
(2-(4,6-Dimethyl-pyrimidin-2-yloxy)-3-[2-(4-hydroxy...)
Show SMILES Cc1cc(C)nc(OC(C(O)=O)C(OCCc2ccc(O)cc2)(c2ccccc2)c2ccccc2)n1
Show InChI InChI=1S/C29H28N2O5/c1-20-19-21(2)31-28(30-20)36-26(27(33)34)29(23-9-5-3-6-10-23,24-11-7-4-8-12-24)35-18-17-22-13-15-25(32)16-14-22/h3-16,19,26,32H,17-18H2,1-2H3,(H,33,34)
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16.2n/an/an/an/an/an/an/an/a



BASF AG

Curated by ChEMBL


Assay Description
Inhibition of [125I]-ET-3 (ETB assay) binding to human cloned Endothelin B receptor in CHO cells


J Med Chem 42: 3026-32 (1999)


Article DOI: 10.1021/jm9910425
BindingDB Entry DOI: 10.7270/Q2HD7TV6
More data for this
Ligand-Target Pair
EDNRA


()
BDBM50050795
PNG
(2-(4,6-Dimethoxy-pyrimidin-2-yloxy)-3,3-diphenyl-3...)
Show SMILES CCCOC(C(Oc1nc(OC)cc(OC)n1)C(O)=O)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C24H26N2O6/c1-4-15-31-24(17-11-7-5-8-12-17,18-13-9-6-10-14-18)21(22(27)28)32-23-25-19(29-2)16-20(26-23)30-3/h5-14,16,21H,4,15H2,1-3H3,(H,27,28)
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19n/an/an/an/an/an/an/an/a



BASF AG

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards human Endothelin A receptor by measuring its ability to displace [125I]-ET-1 from CHO cells


J Med Chem 39: 2123-8 (1996)


Article DOI: 10.1021/jm960274q
BindingDB Entry DOI: 10.7270/Q2G44PDH
More data for this
Ligand-Target Pair
EDNRA


()
BDBM50050810
PNG
(3-Methoxy-2-(4-methyl-pyrimidin-2-yloxy)-3,3-diphe...)
Show SMILES COC(C(Oc1nccc(C)n1)C(O)=O)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C21H20N2O4/c1-15-13-14-22-20(23-15)27-18(19(24)25)21(26-2,16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-14,18H,1-2H3,(H,24,25)
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19n/an/an/an/an/an/an/an/a



BASF AG

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards human Endothelin A receptor by measuring its ability to displace [125I]-ET-1 from CHO cells


J Med Chem 39: 2123-8 (1996)


Article DOI: 10.1021/jm960274q
BindingDB Entry DOI: 10.7270/Q2G44PDH
More data for this
Ligand-Target Pair
EDNRA


()
BDBM50079428
PNG
(3-[2-(4-Chloro-phenyl)-ethoxy]-2-(4,6-dimethyl-pyr...)
Show SMILES Cc1cc(C)nc(OC(C(O)=O)C(OCCc2ccc(Cl)cc2)(c2ccccc2)c2ccccc2)n1
Show InChI InChI=1S/C29H27ClN2O4/c1-20-19-21(2)32-28(31-20)36-26(27(33)34)29(23-9-5-3-6-10-23,24-11-7-4-8-12-24)35-18-17-22-13-15-25(30)16-14-22/h3-16,19,26H,17-18H2,1-2H3,(H,33,34)
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19.8n/an/an/an/an/an/an/an/a



BASF AG

Curated by ChEMBL


Assay Description
Inhibition of [125I]-ET-1 (ETA assay) binding to human cloned Endothelin A receptor in CHO cells


J Med Chem 42: 3026-32 (1999)


Article DOI: 10.1021/jm9910425
BindingDB Entry DOI: 10.7270/Q2HD7TV6
More data for this
Ligand-Target Pair
EDNRB


(HUMAN)
BDBM50079422
PNG
(2-(4,6-Dimethyl-pyrimidin-2-yloxy)-3,3-diphenyl-3-...)
Show SMILES COc1cc(\C=C\COC(C(Oc2nc(C)cc(C)n2)C(O)=O)(c2ccccc2)c2ccccc2)cc(OC)c1OC
Show InChI InChI=1S/C33H34N2O7/c1-22-19-23(2)35-32(34-22)42-30(31(36)37)33(25-14-8-6-9-15-25,26-16-10-7-11-17-26)41-18-12-13-24-20-27(38-3)29(40-5)28(21-24)39-4/h6-17,19-21,30H,18H2,1-5H3,(H,36,37)/b13-12+
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20n/an/an/an/an/an/an/an/a



BASF AG

Curated by ChEMBL


Assay Description
Inhibition of [125I]-ET-3 (ETB assay) binding to human cloned Endothelin B receptor in CHO cells


J Med Chem 42: 3026-32 (1999)


Article DOI: 10.1021/jm9910425
BindingDB Entry DOI: 10.7270/Q2HD7TV6
More data for this
Ligand-Target Pair
EDNRB


(HUMAN)
BDBM50050807
PNG
(3-Methoxy-2-(4-methoxy-6-methyl-pyrimidin-2-yloxy)...)
Show SMILES COc1cc(C)nc(OC(C(O)=O)C(OC)(c2ccccc2)c2ccccc2)n1
Show InChI InChI=1S/C22H22N2O5/c1-15-14-18(27-2)24-21(23-15)29-19(20(25)26)22(28-3,16-10-6-4-7-11-16)17-12-8-5-9-13-17/h4-14,19H,1-3H3,(H,25,26)
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20n/an/an/an/an/an/an/an/a



BASF AG

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards human Endothelin B receptor by measuring its ability to displace [125I]-ET-3 from CHO cells


J Med Chem 39: 2123-8 (1996)


Article DOI: 10.1021/jm960274q
BindingDB Entry DOI: 10.7270/Q2G44PDH
More data for this
Ligand-Target Pair
EDNRB


(HUMAN)
BDBM50050793
PNG
(3-Methoxy-2-(4-methoxy-6,7-dihydro-5H-cyclopentapy...)
Show SMILES COc1nc(OC(C(O)=O)C(OC)(c2ccccc2)c2ccccc2)nc2CCCc12
Show InChI InChI=1S/C24H24N2O5/c1-29-21-18-14-9-15-19(18)25-23(26-21)31-20(22(27)28)24(30-2,16-10-5-3-6-11-16)17-12-7-4-8-13-17/h3-8,10-13,20H,9,14-15H2,1-2H3,(H,27,28)
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20.4n/an/an/an/an/an/an/an/a



BASF AG

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards human Endothelin B receptor by measuring its ability to displace [125I]-ET-3 from CHO cells


J Med Chem 39: 2123-8 (1996)


Article DOI: 10.1021/jm960274q
BindingDB Entry DOI: 10.7270/Q2G44PDH
More data for this
Ligand-Target Pair
EDNRA


()
BDBM50050788
PNG
(2-(4,6-Dimethoxy-pyrimidin-2-yloxy)-3-methoxy-3,3-...)
Show SMILES COc1cccc(c1)C(OC)(C(Oc1nc(OC)cc(OC)n1)C(O)=O)c1cccc(OC)c1
Show InChI InChI=1S/C24H26N2O8/c1-29-17-10-6-8-15(12-17)24(33-5,16-9-7-11-18(13-16)30-2)21(22(27)28)34-23-25-19(31-3)14-20(26-23)32-4/h6-14,21H,1-5H3,(H,27,28)
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22n/an/an/an/an/an/an/an/a



BASF AG

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards human Endothelin A receptor by measuring its ability to displace [125I]-ET-1 from CHO cells


J Med Chem 39: 2123-8 (1996)


Article DOI: 10.1021/jm960274q
BindingDB Entry DOI: 10.7270/Q2G44PDH
More data for this
Ligand-Target Pair
EDNRA


()
BDBM50079421
PNG
(2-(4,6-Dimethyl-pyrimidin-2-yloxy)-3,3-diphenyl-3-...)
Show SMILES Cc1ccc(CCCOC(C(Oc2nc(C)cc(C)n2)C(O)=O)(c2ccccc2)c2ccccc2)cc1
Show InChI InChI=1S/C31H32N2O4/c1-22-16-18-25(19-17-22)11-10-20-36-31(26-12-6-4-7-13-26,27-14-8-5-9-15-27)28(29(34)35)37-30-32-23(2)21-24(3)33-30/h4-9,12-19,21,28H,10-11,20H2,1-3H3,(H,34,35)
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23n/an/an/an/an/an/an/an/a



BASF AG

Curated by ChEMBL


Assay Description
Inhibition of [125I]-ET-1 (ETA assay) binding to human cloned Endothelin A receptor in CHO cells


J Med Chem 42: 3026-32 (1999)


Article DOI: 10.1021/jm9910425
BindingDB Entry DOI: 10.7270/Q2HD7TV6
More data for this
Ligand-Target Pair
EDNRB


(HUMAN)
BDBM50079439
PNG
(2-(4-Methoxy-6-methyl-pyrimidin-2-yloxy)-3-[2-(4-m...)
Show SMILES COc1ccc(CCOC(C(Oc2nc(C)cc(OC)n2)C(O)=O)(c2ccccc2)c2ccccc2)cc1
Show InChI InChI=1S/C30H30N2O6/c1-21-20-26(36-3)32-29(31-21)38-27(28(33)34)30(23-10-6-4-7-11-23,24-12-8-5-9-13-24)37-19-18-22-14-16-25(35-2)17-15-22/h4-17,20,27H,18-19H2,1-3H3,(H,33,34)
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23.2n/an/an/an/an/an/an/an/a



BASF AG

Curated by ChEMBL


Assay Description
Inhibition of [125I]-ET-3 (ETB assay) binding to human cloned Endothelin B receptor in CHO cells


J Med Chem 42: 3026-32 (1999)


Article DOI: 10.1021/jm9910425
BindingDB Entry DOI: 10.7270/Q2HD7TV6
More data for this
Ligand-Target Pair
EDNRB


(HUMAN)
BDBM50079430
PNG
(3-[2-(4-Carboxymethoxy-3-methoxy-phenyl)-ethoxy]-2...)
Show SMILES COc1cc(CCOC(C(Oc2nc(C)cc(C)n2)C(O)=O)(c2ccccc2)c2ccccc2)ccc1OCC(O)=O
Show InChI InChI=1S/C32H32N2O8/c1-21-18-22(2)34-31(33-21)42-29(30(37)38)32(24-10-6-4-7-11-24,25-12-8-5-9-13-25)41-17-16-23-14-15-26(27(19-23)39-3)40-20-28(35)36/h4-15,18-19,29H,16-17,20H2,1-3H3,(H,35,36)(H,37,38)
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24n/an/an/an/an/an/an/an/a



BASF AG

Curated by ChEMBL


Assay Description
Inhibition of [125I]-ET-3 (ETB assay) binding to human cloned Endothelin B receptor in CHO cells


J Med Chem 42: 3026-32 (1999)


Article DOI: 10.1021/jm9910425
BindingDB Entry DOI: 10.7270/Q2HD7TV6
More data for this
Ligand-Target Pair
EDNRA


()
BDBM50050805
PNG
(2-(4,6-Dimethoxy-pyrimidin-2-yloxy)-3-methoxy-3,3-...)
Show SMILES COc1cc(OC)nc(OC(C(O)=O)C(OC)(c2cccc(C)c2)c2cccc(C)c2)n1
Show InChI InChI=1S/C24H26N2O6/c1-15-8-6-10-17(12-15)24(31-5,18-11-7-9-16(2)13-18)21(22(27)28)32-23-25-19(29-3)14-20(26-23)30-4/h6-14,21H,1-5H3,(H,27,28)
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24n/an/an/an/an/an/an/an/a



BASF AG

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards human Endothelin A receptor by measuring its ability to displace [125I]-ET-1 from CHO cells


J Med Chem 39: 2123-8 (1996)


Article DOI: 10.1021/jm960274q
BindingDB Entry DOI: 10.7270/Q2G44PDH
More data for this
Ligand-Target Pair
EDNRB


(HUMAN)
BDBM50079427
PNG
(2-(4,6-Dimethyl-pyrimidin-2-yloxy)-3-[2-(4-methoxy...)
Show SMILES COc1ccc(CCOC(C(Oc2nc(C)cc(C)n2)C(O)=O)(c2ccccc2)c2ccccc2)cc1
Show InChI InChI=1S/C30H30N2O5/c1-21-20-22(2)32-29(31-21)37-27(28(33)34)30(24-10-6-4-7-11-24,25-12-8-5-9-13-25)36-19-18-23-14-16-26(35-3)17-15-23/h4-17,20,27H,18-19H2,1-3H3,(H,33,34)
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24.2n/an/an/an/an/an/an/an/a



BASF AG

Curated by ChEMBL


Assay Description
Inhibition of [125I]-ET-3 (ETB assay) binding to human cloned Endothelin B receptor in CHO cells


J Med Chem 42: 3026-32 (1999)


Article DOI: 10.1021/jm9910425
BindingDB Entry DOI: 10.7270/Q2HD7TV6
More data for this
Ligand-Target Pair
EDNRA


()
BDBM50079425
PNG
(2-(4,6-Dimethyl-pyrimidin-2-yloxy)-3-phenethyloxy-...)
Show SMILES Cc1cc(C)nc(OC(C(O)=O)C(OCCc2ccccc2)(c2ccccc2)c2ccccc2)n1
Show InChI InChI=1S/C29H28N2O4/c1-21-20-22(2)31-28(30-21)35-26(27(32)33)29(24-14-8-4-9-15-24,25-16-10-5-11-17-25)34-19-18-23-12-6-3-7-13-23/h3-17,20,26H,18-19H2,1-2H3,(H,32,33)
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25n/an/an/an/an/an/an/an/a



BASF AG

Curated by ChEMBL


Assay Description
Inhibition of [125I]-ET-1 (ETA assay) binding to human cloned Endothelin A receptor in CHO cells


J Med Chem 42: 3026-32 (1999)


Article DOI: 10.1021/jm9910425
BindingDB Entry DOI: 10.7270/Q2HD7TV6
More data for this
Ligand-Target Pair
EDNRB


(HUMAN)
BDBM50050800
PNG
(3-Methoxy-2-(4-methoxy-5,6-dihydro-furo[2,3-d]pyri...)
Show SMILES COc1nc(OC(C(O)=O)C(OC)(c2ccccc2)c2ccccc2)nc2OCCc12
Show InChI InChI=1S/C23H22N2O6/c1-28-19-17-13-14-30-20(17)25-22(24-19)31-18(21(26)27)23(29-2,15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,18H,13-14H2,1-2H3,(H,26,27)
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25n/an/an/an/an/an/an/an/a



BASF AG

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards human Endothelin B receptor by measuring its ability to displace [125I]-ET-3 from CHO cells


J Med Chem 39: 2123-8 (1996)


Article DOI: 10.1021/jm960274q
BindingDB Entry DOI: 10.7270/Q2G44PDH
More data for this
Ligand-Target Pair
EDNRB


(HUMAN)
BDBM50079435
PNG
(2-(4,6-Dimethyl-pyrimidin-2-yloxy)-3-[2-(4-ethoxy-...)
Show SMILES CCOc1ccc(CCOC(C(Oc2nc(C)cc(C)n2)C(O)=O)(c2ccccc2)c2ccccc2)cc1OC
Show InChI InChI=1S/C32H34N2O6/c1-5-38-27-17-16-24(21-28(27)37-4)18-19-39-32(25-12-8-6-9-13-25,26-14-10-7-11-15-26)29(30(35)36)40-31-33-22(2)20-23(3)34-31/h6-17,20-21,29H,5,18-19H2,1-4H3,(H,35,36)
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25.1n/an/an/an/an/an/an/an/a



BASF AG

Curated by ChEMBL


Assay Description
Inhibition of [125I]-ET-3 (ETB assay) binding to human cloned Endothelin B receptor in CHO cells


J Med Chem 42: 3026-32 (1999)


Article DOI: 10.1021/jm9910425
BindingDB Entry DOI: 10.7270/Q2HD7TV6
More data for this
Ligand-Target Pair
EDNRB


(HUMAN)
BDBM50050807
PNG
(3-Methoxy-2-(4-methoxy-6-methyl-pyrimidin-2-yloxy)...)
Show SMILES COc1cc(C)nc(OC(C(O)=O)C(OC)(c2ccccc2)c2ccccc2)n1
Show InChI InChI=1S/C22H22N2O5/c1-15-14-18(27-2)24-21(23-15)29-19(20(25)26)22(28-3,16-10-6-4-7-11-16)17-12-8-5-9-13-17/h4-14,19H,1-3H3,(H,25,26)
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29n/an/an/an/an/an/an/an/a



BASF AG

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards Endothelin B receptor by measuring its ability to displace [125I]-ET-3 from guinea pig cerebellum


J Med Chem 39: 2123-8 (1996)


Article DOI: 10.1021/jm960274q
BindingDB Entry DOI: 10.7270/Q2G44PDH
More data for this
Ligand-Target Pair
EDNRA


()
BDBM50079419
PNG
(2-(4,6-Dimethyl-pyrimidin-2-yloxy)-3,3-diphenyl-3-...)
Show SMILES Cc1ccc(\C=C\COC(C(Oc2nc(C)cc(C)n2)C(O)=O)(c2ccccc2)c2ccccc2)cc1
Show InChI InChI=1S/C31H30N2O4/c1-22-16-18-25(19-17-22)11-10-20-36-31(26-12-6-4-7-13-26,27-14-8-5-9-15-27)28(29(34)35)37-30-32-23(2)21-24(3)33-30/h4-19,21,28H,20H2,1-3H3,(H,34,35)/b11-10+
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32n/an/an/an/an/an/an/an/a



BASF AG

Curated by ChEMBL


Assay Description
Inhibition of [125I]-ET-1 (ETA assay) binding to human cloned Endothelin A receptor in CHO cells


J Med Chem 42: 3026-32 (1999)


Article DOI: 10.1021/jm9910425
BindingDB Entry DOI: 10.7270/Q2HD7TV6
More data for this
Ligand-Target Pair
EDNRA


()
BDBM50079436
PNG
(2-(4,6-Dimethyl-pyrimidin-2-yloxy)-3,3-diphenyl-3-...)
Show SMILES Cc1ccc(CCOC(C(Oc2nc(C)cc(C)n2)C(O)=O)(c2ccccc2)c2ccccc2)cc1
Show InChI InChI=1S/C30H30N2O4/c1-21-14-16-24(17-15-21)18-19-35-30(25-10-6-4-7-11-25,26-12-8-5-9-13-26)27(28(33)34)36-29-31-22(2)20-23(3)32-29/h4-17,20,27H,18-19H2,1-3H3,(H,33,34)
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32.5n/an/an/an/an/an/an/an/a



BASF AG

Curated by ChEMBL


Assay Description
Inhibition of [125I]-ET-1 (ETA assay) binding to human cloned Endothelin A receptor in CHO cells


J Med Chem 42: 3026-32 (1999)


Article DOI: 10.1021/jm9910425
BindingDB Entry DOI: 10.7270/Q2HD7TV6
More data for this
Ligand-Target Pair
EDNRA


()
BDBM50050797
PNG
(2-(4,6-Dimethoxy-pyrimidin-2-yloxy)-3,3-bis-(4-flu...)
Show SMILES COc1cc(OC)nc(OC(C(O)=O)C(OC)(c2ccc(F)cc2)c2ccc(F)cc2)n1
Show InChI InChI=1S/C22H20F2N2O6/c1-29-17-12-18(30-2)26-21(25-17)32-19(20(27)28)22(31-3,13-4-8-15(23)9-5-13)14-6-10-16(24)11-7-14/h4-12,19H,1-3H3,(H,27,28)
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33n/an/an/an/an/an/an/an/a



BASF AG

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards human Endothelin A receptor by measuring its ability to displace [125I]-ET-1 from CHO cells


J Med Chem 39: 2123-8 (1996)


Article DOI: 10.1021/jm960274q
BindingDB Entry DOI: 10.7270/Q2G44PDH
More data for this
Ligand-Target Pair
EDNRA


()
BDBM50079416
PNG
(3-[2-(3,4-Dimethoxy-phenyl)-ethoxy]-3,3-bis-(4-eth...)
Show SMILES CCc1ccc(cc1)C(OCCc1ccc(OC)c(OC)c1)(C(Oc1nc(C)cc(OC)n1)C(O)=O)c1ccc(CC)cc1
Show InChI InChI=1S/C35H40N2O7/c1-7-24-9-14-27(15-10-24)35(28-16-11-25(8-2)12-17-28,43-20-19-26-13-18-29(40-4)30(22-26)41-5)32(33(38)39)44-34-36-23(3)21-31(37-34)42-6/h9-18,21-22,32H,7-8,19-20H2,1-6H3,(H,38,39)
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39.3n/an/an/an/an/an/an/an/a



BASF AG

Curated by ChEMBL


Assay Description
Inhibition of [125I]-ET-1 (ETA assay) binding to human cloned Endothelin A receptor in CHO cells


J Med Chem 42: 3026-32 (1999)


Article DOI: 10.1021/jm9910425
BindingDB Entry DOI: 10.7270/Q2HD7TV6
More data for this
Ligand-Target Pair
EDNRB


(HUMAN)
BDBM50079416
PNG
(3-[2-(3,4-Dimethoxy-phenyl)-ethoxy]-3,3-bis-(4-eth...)
Show SMILES CCc1ccc(cc1)C(OCCc1ccc(OC)c(OC)c1)(C(Oc1nc(C)cc(OC)n1)C(O)=O)c1ccc(CC)cc1
Show InChI InChI=1S/C35H40N2O7/c1-7-24-9-14-27(15-10-24)35(28-16-11-25(8-2)12-17-28,43-20-19-26-13-18-29(40-4)30(22-26)41-5)32(33(38)39)44-34-36-23(3)21-31(37-34)42-6/h9-18,21-22,32H,7-8,19-20H2,1-6H3,(H,38,39)
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40n/an/an/an/an/an/an/an/a



BASF AG

Curated by ChEMBL


Assay Description
Inhibition of [125I]-ET-3 (ETB assay) binding to human cloned Endothelin B receptor in CHO cells


J Med Chem 42: 3026-32 (1999)


Article DOI: 10.1021/jm9910425
BindingDB Entry DOI: 10.7270/Q2HD7TV6
More data for this
Ligand-Target Pair
EDNRA


()
BDBM50079422
PNG
(2-(4,6-Dimethyl-pyrimidin-2-yloxy)-3,3-diphenyl-3-...)
Show SMILES COc1cc(\C=C\COC(C(Oc2nc(C)cc(C)n2)C(O)=O)(c2ccccc2)c2ccccc2)cc(OC)c1OC
Show InChI InChI=1S/C33H34N2O7/c1-22-19-23(2)35-32(34-22)42-30(31(36)37)33(25-14-8-6-9-15-25,26-16-10-7-11-17-26)41-18-12-13-24-20-27(38-3)29(40-5)28(21-24)39-4/h6-17,19-21,30H,18H2,1-5H3,(H,36,37)/b13-12+
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48n/an/an/an/an/an/an/an/a



BASF AG

Curated by ChEMBL


Assay Description
Inhibition of [125I]-ET-1 (ETA assay) binding to human cloned Endothelin A receptor in CHO cells


J Med Chem 42: 3026-32 (1999)


Article DOI: 10.1021/jm9910425
BindingDB Entry DOI: 10.7270/Q2HD7TV6
More data for this
Ligand-Target Pair
EDNRB


(HUMAN)
BDBM50079436
PNG
(2-(4,6-Dimethyl-pyrimidin-2-yloxy)-3,3-diphenyl-3-...)
Show SMILES Cc1ccc(CCOC(C(Oc2nc(C)cc(C)n2)C(O)=O)(c2ccccc2)c2ccccc2)cc1
Show InChI InChI=1S/C30H30N2O4/c1-21-14-16-24(17-15-21)18-19-35-30(25-10-6-4-7-11-25,26-12-8-5-9-13-26)27(28(33)34)36-29-31-22(2)20-23(3)32-29/h4-17,20,27H,18-19H2,1-3H3,(H,33,34)
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55n/an/an/an/an/an/an/an/a



BASF AG

Curated by ChEMBL


Assay Description
Inhibition of [125I]-ET-3 (ETB assay) binding to human cloned Endothelin B receptor in CHO cells


J Med Chem 42: 3026-32 (1999)


Article DOI: 10.1021/jm9910425
BindingDB Entry DOI: 10.7270/Q2HD7TV6
More data for this
Ligand-Target Pair
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