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PubMed code 8632421

Compile data set for download or QSAR
Found 32 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
EDNRA


()
BDBM50050056
PNG
(2-[(R)-1-[(S)-2-(3-Cyclohexyl-3-methyl-ureido)-4-m...)
Show SMILES CC(C)C[C@H](NC(=O)N(C)C1CCCCC1)C(=O)N[C@H](Cc1cn(C)c2ccccc12)c1nc(C(O)=O)c(C)[nH]1
Show InChI InChI=1S/C30H42N6O4/c1-18(2)15-24(33-30(40)36(5)21-11-7-6-8-12-21)28(37)32-23(27-31-19(3)26(34-27)29(38)39)16-20-17-35(4)25-14-10-9-13-22(20)25/h9-10,13-14,17-18,21,23-24H,6-8,11-12,15-16H2,1-5H3,(H,31,34)(H,32,37)(H,33,40)(H,38,39)/t23-,24+/m1/s1
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n/an/a 1.80n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity was evaluated against human Endothelin A receptor


J Med Chem 39: 982-91 (1996)


Article DOI: 10.1021/jm9505932
BindingDB Entry DOI: 10.7270/Q2DB80WG
More data for this
Ligand-Target Pair
EDNRA


()
BDBM50050063
PNG
(2-[(R)-1-[(S)-2-(Cyclohexyl-methyl-carbamoyloxy)-4...)
Show SMILES CC(C)C[C@H](OC(=O)N(C)C1CCCCC1)C(=O)N[C@H](Cc1cn(C)c2ccccc12)c1nc(C(O)=O)c(C)o1
Show InChI InChI=1S/C30H40N4O6/c1-18(2)15-25(40-30(38)34(5)21-11-7-6-8-12-21)27(35)31-23(28-32-26(29(36)37)19(3)39-28)16-20-17-33(4)24-14-10-9-13-22(20)24/h9-10,13-14,17-18,21,23,25H,6-8,11-12,15-16H2,1-5H3,(H,31,35)(H,36,37)/t23-,25+/m1/s1
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n/an/a 4.60n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity was evaluated against human Endothelin A receptor


J Med Chem 39: 982-91 (1996)


Article DOI: 10.1021/jm9505932
BindingDB Entry DOI: 10.7270/Q2DB80WG
More data for this
Ligand-Target Pair
EDNRA


()
BDBM50050058
PNG
(2-[(R)-1-((S)-2-Cyclohexylcarbamoyloxy-4-methyl-pe...)
Show SMILES CC(C)C[C@H](OC(=O)NC1CCCCC1)C(=O)N[C@H](Cc1cn(C)c2ccccc12)c1nc(C(O)=O)c(C)[nH]1
Show InChI InChI=1S/C29H39N5O5/c1-17(2)14-24(39-29(38)31-20-10-6-5-7-11-20)27(35)32-22(26-30-18(3)25(33-26)28(36)37)15-19-16-34(4)23-13-9-8-12-21(19)23/h8-9,12-13,16-17,20,22,24H,5-7,10-11,14-15H2,1-4H3,(H,30,33)(H,31,38)(H,32,35)(H,36,37)/t22-,24+/m1/s1
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n/an/a 9.30n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity was evaluated against human Endothelin A receptor


J Med Chem 39: 982-91 (1996)


Article DOI: 10.1021/jm9505932
BindingDB Entry DOI: 10.7270/Q2DB80WG
More data for this
Ligand-Target Pair
EDNRA


()
BDBM50050047
PNG
(2-[(R)-1-[(S)-2-(3-Cyclohexyl-ureido)-4-methyl-pen...)
Show SMILES CC(C)C[C@H](NC(=O)NC1CCCCC1)C(=O)N[C@H](Cc1cn(C)c2ccccc12)c1nc(C(O)=O)c(C)[nH]1
Show InChI InChI=1S/C29H40N6O4/c1-17(2)14-23(33-29(39)31-20-10-6-5-7-11-20)27(36)32-22(26-30-18(3)25(34-26)28(37)38)15-19-16-35(4)24-13-9-8-12-21(19)24/h8-9,12-13,16-17,20,22-23H,5-7,10-11,14-15H2,1-4H3,(H,30,34)(H,32,36)(H,37,38)(H2,31,33,39)/t22-,23+/m1/s1
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n/an/a 11n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity was evaluated against human Endothelin A receptor


J Med Chem 39: 982-91 (1996)


Article DOI: 10.1021/jm9505932
BindingDB Entry DOI: 10.7270/Q2DB80WG
More data for this
Ligand-Target Pair
EDNRA


()
BDBM50050064
PNG
(2-[(R)-1-((S)-2-Cyclohexyloxycarbonyloxy-4-methyl-...)
Show SMILES CC(C)C[C@H](OC(=O)OC1CCCCC1)C(=O)N[C@H](Cc1cn(C)c2ccccc12)c1nc(C(O)=O)c(C)o1
Show InChI InChI=1S/C29H37N3O7/c1-17(2)14-24(39-29(36)38-20-10-6-5-7-11-20)26(33)30-22(27-31-25(28(34)35)18(3)37-27)15-19-16-32(4)23-13-9-8-12-21(19)23/h8-9,12-13,16-17,20,22,24H,5-7,10-11,14-15H2,1-4H3,(H,30,33)(H,34,35)/t22-,24+/m1/s1
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n/an/a 17n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity was evaluated against human Endothelin A receptor


J Med Chem 39: 982-91 (1996)


Article DOI: 10.1021/jm9505932
BindingDB Entry DOI: 10.7270/Q2DB80WG
More data for this
Ligand-Target Pair
EDNRA


()
BDBM50050051
PNG
(2-[(R)-1-((S)-2-Cyclohexylcarbamoyloxy-4-methyl-pe...)
Show SMILES CC(C)C[C@H](OC(=O)NC1CCCCC1)C(=O)N[C@H](Cc1cn(C)c2ccccc12)c1nc(C(O)=O)c(C)o1
Show InChI InChI=1S/C29H38N4O6/c1-17(2)14-24(39-29(37)30-20-10-6-5-7-11-20)26(34)31-22(27-32-25(28(35)36)18(3)38-27)15-19-16-33(4)23-13-9-8-12-21(19)23/h8-9,12-13,16-17,20,22,24H,5-7,10-11,14-15H2,1-4H3,(H,30,37)(H,31,34)(H,35,36)/t22-,24+/m1/s1
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n/an/a 21n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity was evaluated against human Endothelin A receptor


J Med Chem 39: 982-91 (1996)


Article DOI: 10.1021/jm9505932
BindingDB Entry DOI: 10.7270/Q2DB80WG
More data for this
Ligand-Target Pair
EDNRA


()
BDBM50050055
PNG
(2-[(R)-1-[(S)-2-(3-Cyclohexyl-1-methyl-ureido)-4-m...)
Show SMILES CC(C)C[C@H](N(C)C(=O)NC1CCCCC1)C(=O)N[C@H](Cc1cn(C)c2ccccc12)c1nc(C(O)=O)c(C)[nH]1
Show InChI InChI=1S/C30H42N6O4/c1-18(2)15-25(36(5)30(40)32-21-11-7-6-8-12-21)28(37)33-23(27-31-19(3)26(34-27)29(38)39)16-20-17-35(4)24-14-10-9-13-22(20)24/h9-10,13-14,17-18,21,23,25H,6-8,11-12,15-16H2,1-5H3,(H,31,34)(H,32,40)(H,33,37)(H,38,39)/t23-,25+/m1/s1
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n/an/a 22n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity was evaluated against human Endothelin A receptor


J Med Chem 39: 982-91 (1996)


Article DOI: 10.1021/jm9505932
BindingDB Entry DOI: 10.7270/Q2DB80WG
More data for this
Ligand-Target Pair
EDNRA


()
BDBM50050059
PNG
(2-[(R)-1-[(S)-2-(3-Cyclohexyl-3-methyl-ureido)-4-m...)
Show SMILES CC(C)C[C@H](NC(=O)N(C)C1CCCCC1)C(=O)N[C@H](Cc1cn(C)c2ccccc12)c1nc(C(O)=O)c(C)o1
Show InChI InChI=1S/C30H41N5O5/c1-18(2)15-23(32-30(39)35(5)21-11-7-6-8-12-21)27(36)31-24(28-33-26(29(37)38)19(3)40-28)16-20-17-34(4)25-14-10-9-13-22(20)25/h9-10,13-14,17-18,21,23-24H,6-8,11-12,15-16H2,1-5H3,(H,31,36)(H,32,39)(H,37,38)/t23-,24+/m0/s1
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n/an/a 25n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity was evaluated against human Endothelin A receptor


J Med Chem 39: 982-91 (1996)


Article DOI: 10.1021/jm9505932
BindingDB Entry DOI: 10.7270/Q2DB80WG
More data for this
Ligand-Target Pair
EDNRA


()
BDBM50050061
PNG
(2-[(R)-1-((R)-2-Cyclohexylcarbamoylmethyl-4-methyl...)
Show SMILES CC(C)C[C@H](CC(=O)NC1CCCCC1)C(=O)N[C@H](Cc1cn(C)c2ccccc12)c1nc(C(O)=O)c(C)[nH]1
Show InChI InChI=1S/C30H41N5O4/c1-18(2)14-20(16-26(36)32-22-10-6-5-7-11-22)29(37)33-24(28-31-19(3)27(34-28)30(38)39)15-21-17-35(4)25-13-9-8-12-23(21)25/h8-9,12-13,17-18,20,22,24H,5-7,10-11,14-16H2,1-4H3,(H,31,34)(H,32,36)(H,33,37)(H,38,39)/t20-,24-/m1/s1
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n/an/a 29n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity was evaluated against human Endothelin A receptor


J Med Chem 39: 982-91 (1996)


Article DOI: 10.1021/jm9505932
BindingDB Entry DOI: 10.7270/Q2DB80WG
More data for this
Ligand-Target Pair
EDNRA


()
BDBM50050060
PNG
(2-[(R)-1-((S)-2-Cyclohexyloxycarbonylamino-4-methy...)
Show SMILES CC(C)C[C@H](NC(=O)OC1CCCCC1)C(=O)N[C@H](Cc1cn(C)c2ccccc12)c1nc(C(O)=O)c(C)o1
Show InChI InChI=1S/C29H38N4O6/c1-17(2)14-22(31-29(37)39-20-10-6-5-7-11-20)26(34)30-23(27-32-25(28(35)36)18(3)38-27)15-19-16-33(4)24-13-9-8-12-21(19)24/h8-9,12-13,16-17,20,22-23H,5-7,10-11,14-15H2,1-4H3,(H,30,34)(H,31,37)(H,35,36)/t22-,23+/m0/s1
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n/an/a 41n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity was evaluated against human Endothelin A receptor


J Med Chem 39: 982-91 (1996)


Article DOI: 10.1021/jm9505932
BindingDB Entry DOI: 10.7270/Q2DB80WG
More data for this
Ligand-Target Pair
EDNRA


()
BDBM50050062
PNG
(2-[(R)-1-((S)-2-Cyclohexyloxycarbonylamino-4-methy...)
Show SMILES CC(C)C[C@H](NC(=O)OC1CCCCC1)C(=O)N[C@H](Cc1cn(C)c2ccccc12)c1nc(C(O)=O)c(C)[nH]1
Show InChI InChI=1S/C29H39N5O5/c1-17(2)14-23(32-29(38)39-20-10-6-5-7-11-20)27(35)31-22(26-30-18(3)25(33-26)28(36)37)15-19-16-34(4)24-13-9-8-12-21(19)24/h8-9,12-13,16-17,20,22-23H,5-7,10-11,14-15H2,1-4H3,(H,30,33)(H,31,35)(H,32,38)(H,36,37)/t22-,23+/m1/s1
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n/an/a 76n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity was evaluated against human Endothelin A receptor


J Med Chem 39: 982-91 (1996)


Article DOI: 10.1021/jm9505932
BindingDB Entry DOI: 10.7270/Q2DB80WG
More data for this
Ligand-Target Pair
EDNRA


()
BDBM50050042
PNG
(2-[(R)-1-[(S)-2-(3-Cyclohexyl-ureido)-4-methyl-pen...)
Show SMILES CC(C)C[C@H](NC(=O)NC1CCCCC1)C(=O)N[C@H](Cc1cn(C)c2ccccc12)c1nc(C(O)=O)c(C)o1
Show InChI InChI=1S/C29H39N5O5/c1-17(2)14-22(32-29(38)30-20-10-6-5-7-11-20)26(35)31-23(27-33-25(28(36)37)18(3)39-27)15-19-16-34(4)24-13-9-8-12-21(19)24/h8-9,12-13,16-17,20,22-23H,5-7,10-11,14-15H2,1-4H3,(H,31,35)(H,36,37)(H2,30,32,38)/t22-,23+/m0/s1
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n/an/a 220n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity was evaluated against human Endothelin A receptor


J Med Chem 39: 982-91 (1996)


Article DOI: 10.1021/jm9505932
BindingDB Entry DOI: 10.7270/Q2DB80WG
More data for this
Ligand-Target Pair
EDNRA


()
BDBM50050054
PNG
(2-[(R)-1-((R)-2-Cyclohexylcarbamoylmethyl-4-methyl...)
Show SMILES CC(C)C[C@H](CC(=O)NC1CCCCC1)C(=O)N[C@H](Cc1cn(C)c2ccccc12)c1nc(C(O)=O)c(C)o1
Show InChI InChI=1S/C30H40N4O5/c1-18(2)14-20(16-26(35)31-22-10-6-5-7-11-22)28(36)32-24(29-33-27(30(37)38)19(3)39-29)15-21-17-34(4)25-13-9-8-12-23(21)25/h8-9,12-13,17-18,20,22,24H,5-7,10-11,14-16H2,1-4H3,(H,31,35)(H,32,36)(H,37,38)/t20-,24-/m1/s1
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity was evaluated against human Endothelin A receptor


J Med Chem 39: 982-91 (1996)


Article DOI: 10.1021/jm9505932
BindingDB Entry DOI: 10.7270/Q2DB80WG
More data for this
Ligand-Target Pair
EDNRA


()
BDBM50050052
PNG
(2-[(R)-1-[(S)-2-(3-Cyclohexyl-1-methyl-ureido)-4-m...)
Show SMILES CC(C)C[C@H](N(C)C(=O)NC1CCCCC1)C(=O)N[C@H](Cc1cn(C)c2ccccc12)c1nc(C(O)=O)c(C)o1
Show InChI InChI=1S/C30H41N5O5/c1-18(2)15-25(35(5)30(39)31-21-11-7-6-8-12-21)27(36)32-23(28-33-26(29(37)38)19(3)40-28)16-20-17-34(4)24-14-10-9-13-22(20)24/h9-10,13-14,17-18,21,23,25H,6-8,11-12,15-16H2,1-5H3,(H,31,39)(H,32,36)(H,37,38)/t23-,25+/m1/s1
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n/an/a 450n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity was evaluated against human Endothelin A receptor


J Med Chem 39: 982-91 (1996)


Article DOI: 10.1021/jm9505932
BindingDB Entry DOI: 10.7270/Q2DB80WG
More data for this
Ligand-Target Pair
EDNRA


()
BDBM50050057
PNG
(2-[(R)-1-[(S)-2-(2-Cyclohexyl-acetylamino)-4-methy...)
Show SMILES CC(C)C[C@H](NC(=O)CC1CCCCC1)C(=O)N[C@H](Cc1cn(C)c2ccccc12)c1nc(C(O)=O)c(C)[nH]1
Show InChI InChI=1S/C30H41N5O4/c1-18(2)14-24(32-26(36)15-20-10-6-5-7-11-20)29(37)33-23(28-31-19(3)27(34-28)30(38)39)16-21-17-35(4)25-13-9-8-12-22(21)25/h8-9,12-13,17-18,20,23-24H,5-7,10-11,14-16H2,1-4H3,(H,31,34)(H,32,36)(H,33,37)(H,38,39)/t23-,24+/m1/s1
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n/an/a 470n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity was evaluated against human Endothelin A receptor


J Med Chem 39: 982-91 (1996)


Article DOI: 10.1021/jm9505932
BindingDB Entry DOI: 10.7270/Q2DB80WG
More data for this
Ligand-Target Pair
EDNRA


()
BDBM50050053
PNG
(2-[(R)-1-[(S)-2-(2-Cyclohexyl-acetylamino)-4-methy...)
Show SMILES CC(C)C[C@H](NC(=O)CC1CCCCC1)C(=O)N[C@H](Cc1cn(C)c2ccccc12)c1nc(C(O)=O)c(C)o1
Show InChI InChI=1S/C30H40N4O5/c1-18(2)14-23(31-26(35)15-20-10-6-5-7-11-20)28(36)32-24(29-33-27(30(37)38)19(3)39-29)16-21-17-34(4)25-13-9-8-12-22(21)25/h8-9,12-13,17-18,20,23-24H,5-7,10-11,14-16H2,1-4H3,(H,31,35)(H,32,36)(H,37,38)/t23-,24+/m0/s1
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n/an/a 680n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity was evaluated against human Endothelin A receptor


J Med Chem 39: 982-91 (1996)


Article DOI: 10.1021/jm9505932
BindingDB Entry DOI: 10.7270/Q2DB80WG
More data for this
Ligand-Target Pair
EDNRB


(Homo sapiens (Human))
BDBM50050056
PNG
(2-[(R)-1-[(S)-2-(3-Cyclohexyl-3-methyl-ureido)-4-m...)
Show SMILES CC(C)C[C@H](NC(=O)N(C)C1CCCCC1)C(=O)N[C@H](Cc1cn(C)c2ccccc12)c1nc(C(O)=O)c(C)[nH]1
Show InChI InChI=1S/C30H42N6O4/c1-18(2)15-24(33-30(40)36(5)21-11-7-6-8-12-21)28(37)32-23(27-31-19(3)26(34-27)29(38)39)16-20-17-35(4)25-14-10-9-13-22(20)25/h9-10,13-14,17-18,21,23-24H,6-8,11-12,15-16H2,1-5H3,(H,31,34)(H,32,37)(H,33,40)(H,38,39)/t23-,24+/m1/s1
PDB

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n/an/a 2.00E+4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity was evaluated against human Endothelin B receptor


J Med Chem 39: 982-91 (1996)


Article DOI: 10.1021/jm9505932
BindingDB Entry DOI: 10.7270/Q2DB80WG
More data for this
Ligand-Target Pair
EDNRB


(Homo sapiens (Human))
BDBM50050047
PNG
(2-[(R)-1-[(S)-2-(3-Cyclohexyl-ureido)-4-methyl-pen...)
Show SMILES CC(C)C[C@H](NC(=O)NC1CCCCC1)C(=O)N[C@H](Cc1cn(C)c2ccccc12)c1nc(C(O)=O)c(C)[nH]1
Show InChI InChI=1S/C29H40N6O4/c1-17(2)14-23(33-29(39)31-20-10-6-5-7-11-20)27(36)32-22(26-30-18(3)25(34-26)28(37)38)15-19-16-35(4)24-13-9-8-12-21(19)24/h8-9,12-13,16-17,20,22-23H,5-7,10-11,14-15H2,1-4H3,(H,30,34)(H,32,36)(H,37,38)(H2,31,33,39)/t22-,23+/m1/s1
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n/an/a 3.40E+4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity was evaluated against human Endothelin B receptor


J Med Chem 39: 982-91 (1996)


Article DOI: 10.1021/jm9505932
BindingDB Entry DOI: 10.7270/Q2DB80WG
More data for this
Ligand-Target Pair
EDNRB


(Homo sapiens (Human))
BDBM50050051
PNG
(2-[(R)-1-((S)-2-Cyclohexylcarbamoyloxy-4-methyl-pe...)
Show SMILES CC(C)C[C@H](OC(=O)NC1CCCCC1)C(=O)N[C@H](Cc1cn(C)c2ccccc12)c1nc(C(O)=O)c(C)o1
Show InChI InChI=1S/C29H38N4O6/c1-17(2)14-24(39-29(37)30-20-10-6-5-7-11-20)26(34)31-22(27-32-25(28(35)36)18(3)38-27)15-19-16-33(4)23-13-9-8-12-21(19)23/h8-9,12-13,16-17,20,22,24H,5-7,10-11,14-15H2,1-4H3,(H,30,37)(H,31,34)(H,35,36)/t22-,24+/m1/s1
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n/an/a 4.80E+4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity was evaluated against human Endothelin B receptor


J Med Chem 39: 982-91 (1996)


Article DOI: 10.1021/jm9505932
BindingDB Entry DOI: 10.7270/Q2DB80WG
More data for this
Ligand-Target Pair
EDNRB


(Homo sapiens (Human))
BDBM50050058
PNG
(2-[(R)-1-((S)-2-Cyclohexylcarbamoyloxy-4-methyl-pe...)
Show SMILES CC(C)C[C@H](OC(=O)NC1CCCCC1)C(=O)N[C@H](Cc1cn(C)c2ccccc12)c1nc(C(O)=O)c(C)[nH]1
Show InChI InChI=1S/C29H39N5O5/c1-17(2)14-24(39-29(38)31-20-10-6-5-7-11-20)27(35)32-22(26-30-18(3)25(33-26)28(36)37)15-19-16-34(4)23-13-9-8-12-21(19)23/h8-9,12-13,16-17,20,22,24H,5-7,10-11,14-15H2,1-4H3,(H,30,33)(H,31,38)(H,32,35)(H,36,37)/t22-,24+/m1/s1
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n/an/a 5.40E+4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity was evaluated against human Endothelin B receptor


J Med Chem 39: 982-91 (1996)


Article DOI: 10.1021/jm9505932
BindingDB Entry DOI: 10.7270/Q2DB80WG
More data for this
Ligand-Target Pair
EDNRB


(Homo sapiens (Human))
BDBM50050064
PNG
(2-[(R)-1-((S)-2-Cyclohexyloxycarbonyloxy-4-methyl-...)
Show SMILES CC(C)C[C@H](OC(=O)OC1CCCCC1)C(=O)N[C@H](Cc1cn(C)c2ccccc12)c1nc(C(O)=O)c(C)o1
Show InChI InChI=1S/C29H37N3O7/c1-17(2)14-24(39-29(36)38-20-10-6-5-7-11-20)26(33)30-22(27-31-25(28(34)35)18(3)37-27)15-19-16-32(4)23-13-9-8-12-21(19)23/h8-9,12-13,16-17,20,22,24H,5-7,10-11,14-15H2,1-4H3,(H,30,33)(H,34,35)/t22-,24+/m1/s1
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n/an/a 7.90E+4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity was evaluated against human Endothelin B receptor


J Med Chem 39: 982-91 (1996)


Article DOI: 10.1021/jm9505932
BindingDB Entry DOI: 10.7270/Q2DB80WG
More data for this
Ligand-Target Pair
EDNRB


(Homo sapiens (Human))
BDBM50050057
PNG
(2-[(R)-1-[(S)-2-(2-Cyclohexyl-acetylamino)-4-methy...)
Show SMILES CC(C)C[C@H](NC(=O)CC1CCCCC1)C(=O)N[C@H](Cc1cn(C)c2ccccc12)c1nc(C(O)=O)c(C)[nH]1
Show InChI InChI=1S/C30H41N5O4/c1-18(2)14-24(32-26(36)15-20-10-6-5-7-11-20)29(37)33-23(28-31-19(3)27(34-28)30(38)39)16-21-17-35(4)25-13-9-8-12-22(21)25/h8-9,12-13,17-18,20,23-24H,5-7,10-11,14-16H2,1-4H3,(H,31,34)(H,32,36)(H,33,37)(H,38,39)/t23-,24+/m1/s1
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n/an/a>9.00E+4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity was evaluated against human Endothelin B receptor


J Med Chem 39: 982-91 (1996)


Article DOI: 10.1021/jm9505932
BindingDB Entry DOI: 10.7270/Q2DB80WG
More data for this
Ligand-Target Pair
EDNRB


(Homo sapiens (Human))
BDBM50050063
PNG
(2-[(R)-1-[(S)-2-(Cyclohexyl-methyl-carbamoyloxy)-4...)
Show SMILES CC(C)C[C@H](OC(=O)N(C)C1CCCCC1)C(=O)N[C@H](Cc1cn(C)c2ccccc12)c1nc(C(O)=O)c(C)o1
Show InChI InChI=1S/C30H40N4O6/c1-18(2)15-25(40-30(38)34(5)21-11-7-6-8-12-21)27(35)31-23(28-32-26(29(36)37)19(3)39-28)16-20-17-33(4)24-14-10-9-13-22(20)24/h9-10,13-14,17-18,21,23,25H,6-8,11-12,15-16H2,1-5H3,(H,31,35)(H,36,37)/t23-,25+/m1/s1
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n/an/a 9.00E+4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity was evaluated against human Endothelin B receptor


J Med Chem 39: 982-91 (1996)


Article DOI: 10.1021/jm9505932
BindingDB Entry DOI: 10.7270/Q2DB80WG
More data for this
Ligand-Target Pair
EDNRB


(Homo sapiens (Human))
BDBM50050042
PNG
(2-[(R)-1-[(S)-2-(3-Cyclohexyl-ureido)-4-methyl-pen...)
Show SMILES CC(C)C[C@H](NC(=O)NC1CCCCC1)C(=O)N[C@H](Cc1cn(C)c2ccccc12)c1nc(C(O)=O)c(C)o1
Show InChI InChI=1S/C29H39N5O5/c1-17(2)14-22(32-29(38)30-20-10-6-5-7-11-20)26(35)31-23(27-33-25(28(36)37)18(3)39-27)15-19-16-34(4)24-13-9-8-12-21(19)24/h8-9,12-13,16-17,20,22-23H,5-7,10-11,14-15H2,1-4H3,(H,31,35)(H,36,37)(H2,30,32,38)/t22-,23+/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity was evaluated against human Endothelin B receptor


J Med Chem 39: 982-91 (1996)


Article DOI: 10.1021/jm9505932
BindingDB Entry DOI: 10.7270/Q2DB80WG
More data for this
Ligand-Target Pair
EDNRB


(Homo sapiens (Human))
BDBM50050055
PNG
(2-[(R)-1-[(S)-2-(3-Cyclohexyl-1-methyl-ureido)-4-m...)
Show SMILES CC(C)C[C@H](N(C)C(=O)NC1CCCCC1)C(=O)N[C@H](Cc1cn(C)c2ccccc12)c1nc(C(O)=O)c(C)[nH]1
Show InChI InChI=1S/C30H42N6O4/c1-18(2)15-25(36(5)30(40)32-21-11-7-6-8-12-21)28(37)33-23(27-31-19(3)26(34-27)29(38)39)16-20-17-35(4)24-14-10-9-13-22(20)24/h9-10,13-14,17-18,21,23,25H,6-8,11-12,15-16H2,1-5H3,(H,31,34)(H,32,40)(H,33,37)(H,38,39)/t23-,25+/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity was evaluated against human Endothelin B receptor


J Med Chem 39: 982-91 (1996)


Article DOI: 10.1021/jm9505932
BindingDB Entry DOI: 10.7270/Q2DB80WG
More data for this
Ligand-Target Pair
EDNRB


(Homo sapiens (Human))
BDBM50050062
PNG
(2-[(R)-1-((S)-2-Cyclohexyloxycarbonylamino-4-methy...)
Show SMILES CC(C)C[C@H](NC(=O)OC1CCCCC1)C(=O)N[C@H](Cc1cn(C)c2ccccc12)c1nc(C(O)=O)c(C)[nH]1
Show InChI InChI=1S/C29H39N5O5/c1-17(2)14-23(32-29(38)39-20-10-6-5-7-11-20)27(35)31-22(26-30-18(3)25(33-26)28(36)37)15-19-16-34(4)24-13-9-8-12-21(19)24/h8-9,12-13,16-17,20,22-23H,5-7,10-11,14-15H2,1-4H3,(H,30,33)(H,31,35)(H,32,38)(H,36,37)/t22-,23+/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity was evaluated against human Endothelin B receptor


J Med Chem 39: 982-91 (1996)


Article DOI: 10.1021/jm9505932
BindingDB Entry DOI: 10.7270/Q2DB80WG
More data for this
Ligand-Target Pair
EDNRB


(Homo sapiens (Human))
BDBM50050061
PNG
(2-[(R)-1-((R)-2-Cyclohexylcarbamoylmethyl-4-methyl...)
Show SMILES CC(C)C[C@H](CC(=O)NC1CCCCC1)C(=O)N[C@H](Cc1cn(C)c2ccccc12)c1nc(C(O)=O)c(C)[nH]1
Show InChI InChI=1S/C30H41N5O4/c1-18(2)14-20(16-26(36)32-22-10-6-5-7-11-22)29(37)33-24(28-31-19(3)27(34-28)30(38)39)15-21-17-35(4)25-13-9-8-12-23(21)25/h8-9,12-13,17-18,20,22,24H,5-7,10-11,14-16H2,1-4H3,(H,31,34)(H,32,36)(H,33,37)(H,38,39)/t20-,24-/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity was evaluated against human Endothelin B receptor


J Med Chem 39: 982-91 (1996)


Article DOI: 10.1021/jm9505932
BindingDB Entry DOI: 10.7270/Q2DB80WG
More data for this
Ligand-Target Pair
EDNRB


(Homo sapiens (Human))
BDBM50050054
PNG
(2-[(R)-1-((R)-2-Cyclohexylcarbamoylmethyl-4-methyl...)
Show SMILES CC(C)C[C@H](CC(=O)NC1CCCCC1)C(=O)N[C@H](Cc1cn(C)c2ccccc12)c1nc(C(O)=O)c(C)o1
Show InChI InChI=1S/C30H40N4O5/c1-18(2)14-20(16-26(35)31-22-10-6-5-7-11-22)28(36)32-24(29-33-27(30(37)38)19(3)39-29)15-21-17-34(4)25-13-9-8-12-23(21)25/h8-9,12-13,17-18,20,22,24H,5-7,10-11,14-16H2,1-4H3,(H,31,35)(H,32,36)(H,37,38)/t20-,24-/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity was evaluated against human Endothelin B receptor


J Med Chem 39: 982-91 (1996)


Article DOI: 10.1021/jm9505932
BindingDB Entry DOI: 10.7270/Q2DB80WG
More data for this
Ligand-Target Pair
EDNRB


(Homo sapiens (Human))
BDBM50050053
PNG
(2-[(R)-1-[(S)-2-(2-Cyclohexyl-acetylamino)-4-methy...)
Show SMILES CC(C)C[C@H](NC(=O)CC1CCCCC1)C(=O)N[C@H](Cc1cn(C)c2ccccc12)c1nc(C(O)=O)c(C)o1
Show InChI InChI=1S/C30H40N4O5/c1-18(2)14-23(31-26(35)15-20-10-6-5-7-11-20)28(36)32-24(29-33-27(30(37)38)19(3)39-29)16-21-17-34(4)25-13-9-8-12-22(21)25/h8-9,12-13,17-18,20,23-24H,5-7,10-11,14-16H2,1-4H3,(H,31,35)(H,32,36)(H,37,38)/t23-,24+/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity was evaluated against human Endothelin B receptor


J Med Chem 39: 982-91 (1996)


Article DOI: 10.1021/jm9505932
BindingDB Entry DOI: 10.7270/Q2DB80WG
More data for this
Ligand-Target Pair
EDNRB


(Homo sapiens (Human))
BDBM50050052
PNG
(2-[(R)-1-[(S)-2-(3-Cyclohexyl-1-methyl-ureido)-4-m...)
Show SMILES CC(C)C[C@H](N(C)C(=O)NC1CCCCC1)C(=O)N[C@H](Cc1cn(C)c2ccccc12)c1nc(C(O)=O)c(C)o1
Show InChI InChI=1S/C30H41N5O5/c1-18(2)15-25(35(5)30(39)31-21-11-7-6-8-12-21)27(36)32-23(28-33-26(29(37)38)19(3)40-28)16-20-17-34(4)24-14-10-9-13-22(20)24/h9-10,13-14,17-18,21,23,25H,6-8,11-12,15-16H2,1-5H3,(H,31,39)(H,32,36)(H,37,38)/t23-,25+/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity was evaluated against human Endothelin B receptor


J Med Chem 39: 982-91 (1996)


Article DOI: 10.1021/jm9505932
BindingDB Entry DOI: 10.7270/Q2DB80WG
More data for this
Ligand-Target Pair
EDNRB


(Homo sapiens (Human))
BDBM50050059
PNG
(2-[(R)-1-[(S)-2-(3-Cyclohexyl-3-methyl-ureido)-4-m...)
Show SMILES CC(C)C[C@H](NC(=O)N(C)C1CCCCC1)C(=O)N[C@H](Cc1cn(C)c2ccccc12)c1nc(C(O)=O)c(C)o1
Show InChI InChI=1S/C30H41N5O5/c1-18(2)15-23(32-30(39)35(5)21-11-7-6-8-12-21)27(36)31-24(28-33-26(29(37)38)19(3)40-28)16-20-17-34(4)25-14-10-9-13-22(20)25/h9-10,13-14,17-18,21,23-24H,6-8,11-12,15-16H2,1-5H3,(H,31,36)(H,32,39)(H,37,38)/t23-,24+/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity was evaluated against human Endothelin B receptor


J Med Chem 39: 982-91 (1996)


Article DOI: 10.1021/jm9505932
BindingDB Entry DOI: 10.7270/Q2DB80WG
More data for this
Ligand-Target Pair
EDNRB


(Homo sapiens (Human))
BDBM50050060
PNG
(2-[(R)-1-((S)-2-Cyclohexyloxycarbonylamino-4-methy...)
Show SMILES CC(C)C[C@H](NC(=O)OC1CCCCC1)C(=O)N[C@H](Cc1cn(C)c2ccccc12)c1nc(C(O)=O)c(C)o1
Show InChI InChI=1S/C29H38N4O6/c1-17(2)14-22(31-29(37)39-20-10-6-5-7-11-20)26(34)30-23(27-32-25(28(35)36)18(3)38-27)15-19-16-33(4)24-13-9-8-12-21(19)24/h8-9,12-13,16-17,20,22-23H,5-7,10-11,14-15H2,1-4H3,(H,30,34)(H,31,37)(H,35,36)/t22-,23+/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity was evaluated against human Endothelin B receptor


J Med Chem 39: 982-91 (1996)


Article DOI: 10.1021/jm9505932
BindingDB Entry DOI: 10.7270/Q2DB80WG
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%