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Compile Data Set for Download or QSAR

Found 466 hits with Last Name = 'leonard' and Initial = 'dm'   
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
Protein Farnesyltransferase (PFT)


(Homo sapiens (Human))
BDBM50059860
PNG
(((2E,6E)-1-Hydroxy-3,7,11-trimethyl-dodeca-2,6,10-...)
Show SMILES [#6]-[#6](-[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](/[#6])-[#6])-[#6]-[#6](=O)P([#8])([#8])=O
Show InChI InChI=1S/C15H27O4P/c1-12(2)7-5-8-13(3)9-6-10-14(4)11-15(16)20(17,18)19/h7,9,14H,5-6,8,10-11H2,1-4H3,(H2,17,18,19)/b13-9+
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5.20n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibitory activity against farnesyl pyrophosphate


J Med Chem 40: 2971-90 (1997)


Article DOI: 10.1021/jm970226l
BindingDB Entry DOI: 10.7270/Q26M37HF
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (Human))
BDBM50059865
PNG
(4,8,12-trimethyl-(3E,7E)-3,7,11-tridecatrienylhydr...)
Show SMILES [#6]-[#6](-[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](/[#6])-[#6])-[#6]-[#6]=[#6]P([#8])(=O)[#6]P([#8])([#8])=O |w:14.13|
Show InChI InChI=1S/C17H32O5P2/c1-15(2)8-5-9-16(3)10-6-11-17(4)12-7-13-23(18,19)14-24(20,21)22/h7-8,10,13,17H,5-6,9,11-12,14H2,1-4H3,(H,18,19)(H2,20,21,22)/b13-7?,16-10+
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830n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibitory activity against farnesyl pyrophosphate


J Med Chem 40: 2971-90 (1997)


Article DOI: 10.1021/jm970226l
BindingDB Entry DOI: 10.7270/Q26M37HF
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (Human))
BDBM50059870
PNG
((R)-2-({4-[((R)-2-Amino-3-mercapto-propylamino)-me...)
Show SMILES CSC[C@H](NC(=O)c1cc(CNC[C@@H](N)CS)ccc1-c1ccccc1)C(O)=O
Show InChI InChI=1S/C21H27N3O3S2/c1-29-13-19(21(26)27)24-20(25)18-9-14(10-23-11-16(22)12-28)7-8-17(18)15-5-3-2-4-6-15/h2-9,16,19,23,28H,10-13,22H2,1H3,(H,24,25)(H,26,27)/t16-,19+/m1/s1
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n/an/a 0.5n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Activity against human Farnesyltransferase


J Med Chem 40: 2971-90 (1997)


Article DOI: 10.1021/jm970226l
BindingDB Entry DOI: 10.7270/Q26M37HF
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)/farnesyltransferase beta subunit


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50059856
PNG
(2-(2-{(S)-3-[((S)-2-Amino-3-mercapto-propionyl)-me...)
Show SMILES CSCCC(NC(=O)CN1c2ccccc2C(N[C@@H](N(C)C(=O)[C@H](N)CS)C1=O)c1ccccc1)C(O)=O
Show InChI InChI=1S/C26H33N5O5S2/c1-30(24(33)18(27)15-37)23-25(34)31(14-21(32)28-19(26(35)36)12-13-38-2)20-11-7-6-10-17(20)22(29-23)16-8-4-3-5-9-16/h3-11,18-19,22-23,29,37H,12-15,27H2,1-2H3,(H,28,32)(H,35,36)/t18-,19?,22?,23+/m1/s1
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n/an/a 0.790n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Activity against rat Farnesyltransferase


J Med Chem 40: 2971-90 (1997)


Article DOI: 10.1021/jm970226l
BindingDB Entry DOI: 10.7270/Q26M37HF
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)/farnesyltransferase beta subunit


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50048399
PNG
((S)-2-[((S)-2-{(S)-2-[2-(3H-Imidazol-4-yl)-ethylam...)
Show SMILES CSCC[C@H](NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](NCCc1cnc[nH]1)C(C)C)C(O)=O
Show InChI InChI=1S/C25H35N5O4S/c1-16(2)22(27-10-8-19-13-26-15-28-19)24(32)30-14-18-7-5-4-6-17(18)12-21(30)23(31)29-20(25(33)34)9-11-35-3/h4-7,13,15-16,20-22,27H,8-12,14H2,1-3H3,(H,26,28)(H,29,31)(H,33,34)/t20-,21-,22-/m0/s1
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n/an/a 0.790n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Activity against rat Farnesyltransferase


J Med Chem 40: 2971-90 (1997)


Article DOI: 10.1021/jm970226l
BindingDB Entry DOI: 10.7270/Q26M37HF
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)/farnesyltransferase beta subunit


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50059861
PNG
(2-(2-{(S)-3-[((S)-2-Amino-3-mercapto-propionyl)-me...)
Show SMILES COC(=O)C(CCSC)NC(=O)CN1c2ccccc2C(N[C@@H](N(C)C(=O)[C@H](N)CS)C1=O)c1ccccc1
Show InChI InChI=1S/C27H35N5O5S2/c1-31(25(34)19(28)16-38)24-26(35)32(15-22(33)29-20(13-14-39-3)27(36)37-2)21-12-8-7-11-18(21)23(30-24)17-9-5-4-6-10-17/h4-12,19-20,23-24,30,38H,13-16,28H2,1-3H3,(H,29,33)/t19-,20?,23?,24+/m1/s1
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n/an/a 0.850n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Activity against rat Farnesyltransferase


J Med Chem 40: 2971-90 (1997)


Article DOI: 10.1021/jm970226l
BindingDB Entry DOI: 10.7270/Q26M37HF
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)/farnesyltransferase beta subunit


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50060140
PNG
(CHEMBL115943 | [(S)-1-{(4-Benzyloxy-benzyl)-[(2-cy...)
Show SMILES O=C(CN(Cc1ccc(OCc2ccccc2)cc1)C(=O)[C@H](Cc1cnc[nH]1)NC(=O)OCc1ccccc1)NCC(C#N)c1ccccc1
Show InChI InChI=1S/C39H38N6O5/c40-21-33(32-14-8-3-9-15-32)22-42-37(46)25-45(24-29-16-18-35(19-17-29)49-26-30-10-4-1-5-11-30)38(47)36(20-34-23-41-28-43-34)44-39(48)50-27-31-12-6-2-7-13-31/h1-19,23,28,33,36H,20,22,24-27H2,(H,41,43)(H,42,46)(H,44,48)/t33?,36-/m0/s1
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Warner-Lambert Company

Curated by ChEMBL


Assay Description
In vitro inhibition of rat farnesyltransferase.


J Med Chem 40: 3319-22 (1997)


Article DOI: 10.1021/jm970470c
BindingDB Entry DOI: 10.7270/Q2V69HQG
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)/farnesyltransferase beta subunit


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50059864
PNG
((S)-2-({(S)-2-[(S)-2-((R)-2-Amino-3-mercapto-propy...)
Show SMILES CC(C)(C)[C@H](NC[C@@H](N)CS)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](CCC(N)=O)C(O)=O
Show InChI InChI=1S/C24H37N5O5S/c1-24(2,3)20(27-11-16(25)13-35)22(32)29-12-15-7-5-4-6-14(15)10-18(29)21(31)28-17(23(33)34)8-9-19(26)30/h4-7,16-18,20,27,35H,8-13,25H2,1-3H3,(H2,26,30)(H,28,31)(H,33,34)/t16-,17+,18+,20-/m1/s1
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n/an/a 2.80n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Activity against rat Farnesyltransferase


J Med Chem 40: 2971-90 (1997)


Article DOI: 10.1021/jm970226l
BindingDB Entry DOI: 10.7270/Q26M37HF
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)/farnesyltransferase beta subunit


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50060144
PNG
(CHEMBL325073 | [(S)-1-{(4-Benzyloxy-benzyl)-[((R)-...)
Show SMILES C[C@H](Cc1ccccc1)NC(=O)CN(Cc1ccc(OCc2ccccc2)cc1)C(=O)[C@H](Cc1cnc[nH]1)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C39H41N5O5/c1-29(21-30-11-5-2-6-12-30)42-37(45)25-44(24-31-17-19-35(20-18-31)48-26-32-13-7-3-8-14-32)38(46)36(22-34-23-40-28-41-34)43-39(47)49-27-33-15-9-4-10-16-33/h2-20,23,28-29,36H,21-22,24-27H2,1H3,(H,40,41)(H,42,45)(H,43,47)/t29-,36+/m1/s1
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n/an/a 3n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
In vitro inhibition of rat farnesyltransferase.


J Med Chem 40: 3319-22 (1997)


Article DOI: 10.1021/jm970470c
BindingDB Entry DOI: 10.7270/Q2V69HQG
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))
BDBM50032181
PNG
(2-{1-[1-(2-carboxy-1-{1-[10,11-dihydro-5H-dibenzo[...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(C)=O)C1c2ccccc2CCc2ccccc12)[C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C52H67N7O10/c1-8-29(5)44(49(65)57-41(52(68)69)25-34-27-53-38-21-15-14-18-35(34)38)59-50(66)45(30(6)9-2)58-48(64)40(26-42(61)62)55-47(63)39(24-28(3)4)56-51(67)46(54-31(7)60)43-36-19-12-10-16-32(36)22-23-33-17-11-13-20-37(33)43/h10-21,27-30,39-41,43-46,53H,8-9,22-26H2,1-7H3,(H,54,60)(H,55,63)(H,56,67)(H,57,65)(H,58,64)(H,59,66)(H,61,62)(H,68,69)/t29-,30-,39-,40-,41-,44-,45-,46-/m0/s1
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n/an/a 3.5n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity against endothelin A receptor from rabbit renal vascular smooth muscles


J Med Chem 38: 2809-19 (1995)


BindingDB Entry DOI: 10.7270/Q2KD1WZQ
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)/farnesyltransferase beta subunit


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50060141
PNG
(CHEMBL431440 | [(S)-1-{(4-Benzyloxy-benzyl)-[(2-me...)
Show SMILES CC(C)(CNC(=O)CN(Cc1ccc(OCc2ccccc2)cc1)C(=O)[C@H](Cc1cnc[nH]1)NC(=O)OCc1ccccc1)c1ccccc1
Show InChI InChI=1S/C40H43N5O5/c1-40(2,33-16-10-5-11-17-33)28-42-37(46)25-45(24-30-18-20-35(21-19-30)49-26-31-12-6-3-7-13-31)38(47)36(22-34-23-41-29-43-34)44-39(48)50-27-32-14-8-4-9-15-32/h3-21,23,29,36H,22,24-28H2,1-2H3,(H,41,43)(H,42,46)(H,44,48)/t36-/m0/s1
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n/an/a 4n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
In vitro inhibition of rat farnesyltransferase.


J Med Chem 40: 3319-22 (1997)


Article DOI: 10.1021/jm970470c
BindingDB Entry DOI: 10.7270/Q2V69HQG
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))
BDBM50032175
PNG
((S)-3-[(S)-2-((S)-2-Acetylamino-3,3-diphenyl-propi...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(C)=O)C(c1ccccc1)c1ccccc1)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C50H66N10O10/c1-6-28(3)41(46(66)58-38(49(69)70)25-33-27-54-35-22-15-14-21-34(33)35)60-47(67)42(29(4)7-2)59-45(65)37(26-39(62)63)57-44(64)36(23-16-24-53-50(51)52)56-48(68)43(55-30(5)61)40(31-17-10-8-11-18-31)32-19-12-9-13-20-32/h8-15,17-22,27-29,36-38,40-43,54H,6-7,16,23-26H2,1-5H3,(H,55,61)(H,56,68)(H,57,64)(H,58,66)(H,59,65)(H,60,67)(H,62,63)(H,69,70)(H4,51,52,53)/t28-,29-,36-,37-,38-,41-,42-,43-/m0/s1
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n/an/a 4n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity against endothelin A receptor from rabbit renal vascular smooth muscles


J Med Chem 38: 2809-19 (1995)


BindingDB Entry DOI: 10.7270/Q2KD1WZQ
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)/farnesyltransferase beta subunit


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50055595
PNG
(CHEMBL304691 | [(R)-1-((R)-2-(4-Benzyloxy-phenyl)-...)
Show SMILES C[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CS)NC(=O)[C@@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)[C@@H](Cc1cnc[nH]1)NC(=O)OCc1ccccc1)C(N)=O
Show InChI InChI=1S/C47H51N9O8S/c1-29(42(48)57)52-43(58)39(21-33-23-50-37-15-9-8-14-36(33)37)54-46(61)41(27-65)55-44(59)38(20-30-16-18-35(19-17-30)63-25-31-10-4-2-5-11-31)53-45(60)40(22-34-24-49-28-51-34)56-47(62)64-26-32-12-6-3-7-13-32/h2-19,23-24,28-29,38-41,50,65H,20-22,25-27H2,1H3,(H2,48,57)(H,49,51)(H,52,58)(H,53,60)(H,54,61)(H,55,59)(H,56,62)/t29-,38+,39+,40+,41+/m0/s1
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n/an/a 4n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibitory concentration against rat brain farnesyltransferase


J Med Chem 40: 192-200 (1997)


Article DOI: 10.1021/jm960602m
BindingDB Entry DOI: 10.7270/Q2JW8FJ4
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))
BDBM50032181
PNG
(2-{1-[1-(2-carboxy-1-{1-[10,11-dihydro-5H-dibenzo[...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(C)=O)C1c2ccccc2CCc2ccccc12)[C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C52H67N7O10/c1-8-29(5)44(49(65)57-41(52(68)69)25-34-27-53-38-21-15-14-18-35(34)38)59-50(66)45(30(6)9-2)58-48(64)40(26-42(61)62)55-47(63)39(24-28(3)4)56-51(67)46(54-31(7)60)43-36-19-12-10-16-32(36)22-23-33-17-11-13-20-37(33)43/h10-21,27-30,39-41,43-46,53H,8-9,22-26H2,1-7H3,(H,54,60)(H,55,63)(H,56,67)(H,57,65)(H,58,64)(H,59,66)(H,61,62)(H,68,69)/t29-,30-,39-,40-,41-,44-,45-,46-/m0/s1
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n/an/a 4.90n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibition of ET-1 stimulated arachidonic acid release in rabbit renal vascular smooth muscle cells


J Med Chem 38: 2809-19 (1995)


BindingDB Entry DOI: 10.7270/Q2KD1WZQ
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Bos taurus (bovine))
BDBM50059846
PNG
(CHEMBL103575 | L-745631 | [(R)-4-((S)-2-Amino-3-me...)
Show SMILES COCC[C@@H]1CN(CCN1C[C@H](N)CS)C(=O)c1cccc2ccccc12
Show InChI InChI=1S/C21H29N3O2S/c1-26-12-9-18-14-24(11-10-23(18)13-17(22)15-27)21(25)20-8-4-6-16-5-2-3-7-19(16)20/h2-8,17-18,27H,9-15,22H2,1H3/t17-,18+/m0/s1
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n/an/a 5n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Activity against bovine Farnesyltransferase


J Med Chem 40: 2971-90 (1997)


Article DOI: 10.1021/jm970226l
BindingDB Entry DOI: 10.7270/Q26M37HF
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)/farnesyltransferase beta subunit


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50060149
PNG
(CHEMBL112512 | [(S)-1-{(4-Benzyloxy-benzyl)-[(2-ph...)
Show SMILES CCC(CNC(=O)CN(Cc1ccc(OCc2ccccc2)cc1)C(=O)[C@H](Cc1cnc[nH]1)NC(=O)OCc1ccccc1)c1ccccc1
Show InChI InChI=1S/C40H43N5O5/c1-2-33(34-16-10-5-11-17-34)23-42-38(46)26-45(25-30-18-20-36(21-19-30)49-27-31-12-6-3-7-13-31)39(47)37(22-35-24-41-29-43-35)44-40(48)50-28-32-14-8-4-9-15-32/h3-21,24,29,33,37H,2,22-23,25-28H2,1H3,(H,41,43)(H,42,46)(H,44,48)/t33?,37-/m0/s1
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n/an/a 5n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
In vitro inhibition of rat farnesyltransferase.


J Med Chem 40: 3319-22 (1997)


Article DOI: 10.1021/jm970470c
BindingDB Entry DOI: 10.7270/Q2V69HQG
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)/farnesyltransferase beta subunit


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50060145
PNG
(CHEMBL115669 | [(S)-1-{(4-Benzyloxy-benzyl)-[((S)-...)
Show SMILES C[C@H](CNC(=O)CN(Cc1ccc(OCc2ccccc2)cc1)C(=O)[C@H](Cc1cnc[nH]1)NC(=O)OCc1ccccc1)c1ccccc1
Show InChI InChI=1S/C39H41N5O5/c1-29(33-15-9-4-10-16-33)22-41-37(45)25-44(24-30-17-19-35(20-18-30)48-26-31-11-5-2-6-12-31)38(46)36(21-34-23-40-28-42-34)43-39(47)49-27-32-13-7-3-8-14-32/h2-20,23,28-29,36H,21-22,24-27H2,1H3,(H,40,42)(H,41,45)(H,43,47)/t29-,36+/m1/s1
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n/an/a 5n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
In vitro inhibition of rat farnesyltransferase.


J Med Chem 40: 3319-22 (1997)


Article DOI: 10.1021/jm970470c
BindingDB Entry DOI: 10.7270/Q2V69HQG
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)/farnesyltransferase beta subunit


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50055604
PNG
(CHEMBL441189 | [(R)-1-[(R)-1-{(R)-2-Benzyloxy-1-[(...)
Show SMILES C[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](COCc1ccccc1)NC(=O)[C@@H](Cc1ccc(OP(O)(O)=O)cc1)NC(=O)[C@@H](Cc1cnc[nH]1)NC(=O)OCc1ccccc1)C(N)=O
Show InChI InChI=1S/C47H52N9O12P/c1-29(42(48)57)52-43(58)39(21-33-23-50-37-15-9-8-14-36(33)37)54-46(61)41(27-66-25-31-10-4-2-5-11-31)55-44(59)38(20-30-16-18-35(19-17-30)68-69(63,64)65)53-45(60)40(22-34-24-49-28-51-34)56-47(62)67-26-32-12-6-3-7-13-32/h2-19,23-24,28-29,38-41,50H,20-22,25-27H2,1H3,(H2,48,57)(H,49,51)(H,52,58)(H,53,60)(H,54,61)(H,55,59)(H,56,62)(H2,63,64,65)/t29-,38+,39+,40+,41+/m0/s1
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n/an/a 6n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibition of rat brain farnesyltransferase in 50 mM HEPES buffer


J Med Chem 40: 192-200 (1997)


Article DOI: 10.1021/jm960602m
BindingDB Entry DOI: 10.7270/Q2JW8FJ4
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)/farnesyltransferase beta subunit


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50060139
PNG
(CHEMBL326352 | [(S)-1-((4-Benzyloxy-benzyl)-{[(1-p...)
Show SMILES O=C(CN(Cc1ccc(OCc2ccccc2)cc1)C(=O)[C@H](Cc1cnc[nH]1)NC(=O)OCc1ccccc1)NCC1(CCC1)c1ccccc1
Show InChI InChI=1S/C41H43N5O5/c47-38(43-29-41(21-10-22-41)34-15-8-3-9-16-34)26-46(25-31-17-19-36(20-18-31)50-27-32-11-4-1-5-12-32)39(48)37(23-35-24-42-30-44-35)45-40(49)51-28-33-13-6-2-7-14-33/h1-9,11-20,24,30,37H,10,21-23,25-29H2,(H,42,44)(H,43,47)(H,45,49)/t37-/m0/s1
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n/an/a 6n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
In vitro inhibition of rat farnesyltransferase.


J Med Chem 40: 3319-22 (1997)


Article DOI: 10.1021/jm970470c
BindingDB Entry DOI: 10.7270/Q2V69HQG
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)/farnesyltransferase beta subunit


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50060146
PNG
(CHEMBL407445 | [(S)-1-((4-Benzyloxy-benzyl)-{[(1-p...)
Show SMILES O=C(CN(Cc1ccc(OCc2ccccc2)cc1)C(=O)[C@H](Cc1cnc[nH]1)NC(=O)OCc1ccccc1)NCC1(CC1)c1ccccc1
Show InChI InChI=1S/C40H41N5O5/c46-37(42-28-40(20-21-40)33-14-8-3-9-15-33)25-45(24-30-16-18-35(19-17-30)49-26-31-10-4-1-5-11-31)38(47)36(22-34-23-41-29-43-34)44-39(48)50-27-32-12-6-2-7-13-32/h1-19,23,29,36H,20-22,24-28H2,(H,41,43)(H,42,46)(H,44,48)/t36-/m0/s1
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n/an/a 7n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
In vitro inhibition of rat farnesyltransferase.


J Med Chem 40: 3319-22 (1997)


Article DOI: 10.1021/jm970470c
BindingDB Entry DOI: 10.7270/Q2V69HQG
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)/farnesyltransferase beta subunit


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50060138
PNG
(CHEMBL324827 | [(S)-1-{(4-Benzyloxy-benzyl)-[(2-ph...)
Show SMILES CC(CNC(=O)CN(Cc1ccc(OCc2ccccc2)cc1)C(=O)[C@H](Cc1cnc[nH]1)NC(=O)OCc1ccccc1)c1ccccc1
Show InChI InChI=1S/C39H41N5O5/c1-29(33-15-9-4-10-16-33)22-41-37(45)25-44(24-30-17-19-35(20-18-30)48-26-31-11-5-2-6-12-31)38(46)36(21-34-23-40-28-42-34)43-39(47)49-27-32-13-7-3-8-14-32/h2-20,23,28-29,36H,21-22,24-27H2,1H3,(H,40,42)(H,41,45)(H,43,47)/t29?,36-/m0/s1
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n/an/a 8n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
In vitro inhibition of rat farnesyltransferase.


J Med Chem 40: 3319-22 (1997)


Article DOI: 10.1021/jm970470c
BindingDB Entry DOI: 10.7270/Q2V69HQG
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)/farnesyltransferase beta subunit


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50055633
PNG
(CHEMBL384416 | [(R)-1-[(R)-1-{(R)-2-Benzyloxy-1-[(...)
Show SMILES CC(NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](COCc1ccccc1)NC(=O)[C@@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)[C@@H](Cc1cnc[nH]1)NC(=O)OCc1ccccc1)C(N)=O
Show InChI InChI=1S/C54H57N9O9/c1-35(49(55)64)59-50(65)46(26-40-28-57-44-20-12-11-19-43(40)44)61-53(68)48(33-70-30-37-13-5-2-6-14-37)62-51(66)45(25-36-21-23-42(24-22-36)71-31-38-15-7-3-8-16-38)60-52(67)47(27-41-29-56-34-58-41)63-54(69)72-32-39-17-9-4-10-18-39/h2-24,28-29,34-35,45-48,57H,25-27,30-33H2,1H3,(H2,55,64)(H,56,58)(H,59,65)(H,60,67)(H,61,68)(H,62,66)(H,63,69)/t35?,45-,46-,47-,48-/m1/s1
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Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibitory concentration against rat brain farnesyltransferase


J Med Chem 40: 192-200 (1997)


Article DOI: 10.1021/jm960602m
BindingDB Entry DOI: 10.7270/Q2JW8FJ4
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)/farnesyltransferase beta subunit


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50408250
PNG
(CHEMBL2115092)
Show SMILES C[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](COCc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)OCc1ccccc1)C(N)=O
Show InChI InChI=1S/C47H51N9O8/c1-30(42(48)57)52-43(58)39(22-34-24-50-37-20-12-11-19-36(34)37)54-46(61)41(28-63-26-32-15-7-3-8-16-32)55-44(59)38(21-31-13-5-2-6-14-31)53-45(60)40(23-35-25-49-29-51-35)56-47(62)64-27-33-17-9-4-10-18-33/h2-20,24-25,29-30,38-41,50H,21-23,26-28H2,1H3,(H2,48,57)(H,49,51)(H,52,58)(H,53,60)(H,54,61)(H,55,59)(H,56,62)/t30-,38+,39+,40+,41+/m1/s1
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Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibitory concentration against rat brain farnesyltransferase


J Med Chem 40: 192-200 (1997)


Article DOI: 10.1021/jm960602m
BindingDB Entry DOI: 10.7270/Q2JW8FJ4
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)/farnesyltransferase beta subunit


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50055604
PNG
(CHEMBL441189 | [(R)-1-[(R)-1-{(R)-2-Benzyloxy-1-[(...)
Show SMILES C[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](COCc1ccccc1)NC(=O)[C@@H](Cc1ccc(OP(O)(O)=O)cc1)NC(=O)[C@@H](Cc1cnc[nH]1)NC(=O)OCc1ccccc1)C(N)=O
Show InChI InChI=1S/C47H52N9O12P/c1-29(42(48)57)52-43(58)39(21-33-23-50-37-15-9-8-14-36(33)37)54-46(61)41(27-66-25-31-10-4-2-5-11-31)55-44(59)38(20-30-16-18-35(19-17-30)68-69(63,64)65)53-45(60)40(22-34-24-49-28-51-34)56-47(62)67-26-32-12-6-3-7-13-32/h2-19,23-24,28-29,38-41,50H,20-22,25-27H2,1H3,(H2,48,57)(H,49,51)(H,52,58)(H,53,60)(H,54,61)(H,55,59)(H,56,62)(H2,63,64,65)/t29-,38+,39+,40+,41+/m0/s1
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Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibition of rat brain farnesyltransferase in 5 mM potassium phosphate and 50 mM HEPES buffer


J Med Chem 40: 192-200 (1997)


Article DOI: 10.1021/jm960602m
BindingDB Entry DOI: 10.7270/Q2JW8FJ4
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (Human))
BDBM50059876
PNG
(CHEMBL217423 | [(S)-1-[(S)-1-{(S)-2-Benzyloxy-1-[(...)
Show SMILES C[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](COCc1ccccc1)NC(=O)[C@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)OCc1ccccc1)C(N)=O
Show InChI InChI=1S/C54H57N9O9/c1-35(49(55)64)59-50(65)46(26-40-28-57-44-20-12-11-19-43(40)44)61-53(68)48(33-70-30-37-13-5-2-6-14-37)62-51(66)45(25-36-21-23-42(24-22-36)71-31-38-15-7-3-8-16-38)60-52(67)47(27-41-29-56-34-58-41)63-54(69)72-32-39-17-9-4-10-18-39/h2-24,28-29,34-35,45-48,57H,25-27,30-33H2,1H3,(H2,55,64)(H,56,58)(H,59,65)(H,60,67)(H,61,68)(H,62,66)(H,63,69)/t35-,45+,46+,47+,48+/m1/s1
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n/an/a 10n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibition of human farnesyltransferase


J Med Chem 40: 192-200 (1997)


Article DOI: 10.1021/jm960602m
BindingDB Entry DOI: 10.7270/Q2JW8FJ4
More data for this
Ligand-Target Pair
EDNRB


(RAT)
BDBM50032175
PNG
((S)-3-[(S)-2-((S)-2-Acetylamino-3,3-diphenyl-propi...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(C)=O)C(c1ccccc1)c1ccccc1)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C50H66N10O10/c1-6-28(3)41(46(66)58-38(49(69)70)25-33-27-54-35-22-15-14-21-34(33)35)60-47(67)42(29(4)7-2)59-45(65)37(26-39(62)63)57-44(64)36(23-16-24-53-50(51)52)56-48(68)43(55-30(5)61)40(31-17-10-8-11-18-31)32-19-12-9-13-20-32/h8-15,17-22,27-29,36-38,40-43,54H,6-7,16,23-26H2,1-5H3,(H,55,61)(H,56,68)(H,57,64)(H,58,66)(H,59,65)(H,60,67)(H,62,63)(H,69,70)(H4,51,52,53)/t28-,29-,36-,37-,38-,41-,42-,43-/m0/s1
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n/an/a 10n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity against endothelin B receptor rat cerebellar membranes.


J Med Chem 38: 2809-19 (1995)


BindingDB Entry DOI: 10.7270/Q2KD1WZQ
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (Human))
BDBM50059858
PNG
((S)-2-((3Z,6E)-(2S,5S,8R)-8-Amino-2-benzyl-5-isopr...)
Show SMILES CSCC[C@H](NC(=O)[C@@H](Cc1ccccc1)\C=C/[C@@H](\C=C\[C@@H](N)CS)C(C)C)C(O)=O
Show InChI InChI=1S/C24H36N2O3S2/c1-17(2)19(11-12-21(25)16-30)9-10-20(15-18-7-5-4-6-8-18)23(27)26-22(24(28)29)13-14-31-3/h4-12,17,19-22,30H,13-16,25H2,1-3H3,(H,26,27)(H,28,29)/b10-9-,12-11+/t19-,20+,21+,22-/m0/s1
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n/an/a 11n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibition of H-Ras Farnesyltransferase


J Med Chem 40: 2971-90 (1997)


Article DOI: 10.1021/jm970226l
BindingDB Entry DOI: 10.7270/Q26M37HF
More data for this
Ligand-Target Pair
EDNRB


(RAT)
BDBM50032216
PNG
((S)-3-[(S)-2-((S)-2-Acetylamino-3,3-diphenyl-propi...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(C)=O)C(c1ccccc1)c1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C53H63N7O11/c1-6-31(4)46(51(68)59-43(53(70)71)27-36-29-54-39-20-14-13-19-38(36)39)60-50(67)41(26-33-21-23-37(62)24-22-33)56-49(66)42(28-44(63)64)57-48(65)40(25-30(2)3)58-52(69)47(55-32(5)61)45(34-15-9-7-10-16-34)35-17-11-8-12-18-35/h7-24,29-31,40-43,45-47,54,62H,6,25-28H2,1-5H3,(H,55,61)(H,56,66)(H,57,65)(H,58,69)(H,59,68)(H,60,67)(H,63,64)(H,70,71)/t31-,40-,41-,42-,43-,46-,47-/m0/s1
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n/an/a 12n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity against endothelin B receptor rat cerebellar membranes.


J Med Chem 38: 2809-19 (1995)


BindingDB Entry DOI: 10.7270/Q2KD1WZQ
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))
BDBM50032193
PNG
((S)-3-[(S)-2-((S)-2-Acetylamino-3,3-diphenyl-propi...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCN)NC(=O)[C@@H](NC(C)=O)C(c1ccccc1)c1ccccc1)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C49H64N8O10/c1-6-28(3)41(46(63)55-38(49(66)67)25-33-27-51-35-22-15-14-21-34(33)35)57-47(64)42(29(4)7-2)56-45(62)37(26-39(59)60)54-44(61)36(23-16-24-50)53-48(65)43(52-30(5)58)40(31-17-10-8-11-18-31)32-19-12-9-13-20-32/h8-15,17-22,27-29,36-38,40-43,51H,6-7,16,23-26,50H2,1-5H3,(H,52,58)(H,53,65)(H,54,61)(H,55,63)(H,56,62)(H,57,64)(H,59,60)(H,66,67)/t28-,29-,36-,37-,38-,41-,42-,43-/m0/s1
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n/an/a 13n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity against endothelin A receptor from rabbit renal vascular smooth muscles


J Med Chem 38: 2809-19 (1995)


BindingDB Entry DOI: 10.7270/Q2KD1WZQ
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)/farnesyltransferase beta subunit


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50055604
PNG
(CHEMBL441189 | [(R)-1-[(R)-1-{(R)-2-Benzyloxy-1-[(...)
Show SMILES C[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](COCc1ccccc1)NC(=O)[C@@H](Cc1ccc(OP(O)(O)=O)cc1)NC(=O)[C@@H](Cc1cnc[nH]1)NC(=O)OCc1ccccc1)C(N)=O
Show InChI InChI=1S/C47H52N9O12P/c1-29(42(48)57)52-43(58)39(21-33-23-50-37-15-9-8-14-36(33)37)54-46(61)41(27-66-25-31-10-4-2-5-11-31)55-44(59)38(20-30-16-18-35(19-17-30)68-69(63,64)65)53-45(60)40(22-34-24-49-28-51-34)56-47(62)67-26-32-12-6-3-7-13-32/h2-19,23-24,28-29,38-41,50H,20-22,25-27H2,1H3,(H2,48,57)(H,49,51)(H,52,58)(H,53,60)(H,54,61)(H,55,59)(H,56,62)(H2,63,64,65)/t29-,38+,39+,40+,41+/m0/s1
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n/an/a 13n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibition of rat brain farnesyltransferase in 30 mM potassium phosphate buffer


J Med Chem 40: 192-200 (1997)


Article DOI: 10.1021/jm960602m
BindingDB Entry DOI: 10.7270/Q2JW8FJ4
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))
BDBM50366421
PNG
(CHEMBL1791271)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(C)=O)C(c1ccccc1)c1ccccc1)[C@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C50H65N7O10/c1-8-29(5)42(47(63)55-39(50(66)67)25-34-27-51-36-23-17-16-22-35(34)36)57-48(64)43(30(6)9-2)56-46(62)38(26-40(59)60)53-45(61)37(24-28(3)4)54-49(65)44(52-31(7)58)41(32-18-12-10-13-19-32)33-20-14-11-15-21-33/h10-23,27-30,37-39,41-44,51H,8-9,24-26H2,1-7H3,(H,52,58)(H,53,61)(H,54,65)(H,55,63)(H,56,62)(H,57,64)(H,59,60)(H,66,67)/t29-,30+,37-,38-,39-,42-,43-,44-/m0/s1
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n/an/a 14n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [125I]endothelin-1 [ET-1] binding to endothelin A receptor (ETA) of rabbit renal artery vascular smooth muscle cells


Bioorg Med Chem Lett 5: 967-972 (1995)


Article DOI: 10.1016/0960-894X(95)00152-J
BindingDB Entry DOI: 10.7270/Q2MG7PZH
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))
BDBM50032175
PNG
((S)-3-[(S)-2-((S)-2-Acetylamino-3,3-diphenyl-propi...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(C)=O)C(c1ccccc1)c1ccccc1)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C50H66N10O10/c1-6-28(3)41(46(66)58-38(49(69)70)25-33-27-54-35-22-15-14-21-34(33)35)60-47(67)42(29(4)7-2)59-45(65)37(26-39(62)63)57-44(64)36(23-16-24-53-50(51)52)56-48(68)43(55-30(5)61)40(31-17-10-8-11-18-31)32-19-12-9-13-20-32/h8-15,17-22,27-29,36-38,40-43,54H,6-7,16,23-26H2,1-5H3,(H,55,61)(H,56,68)(H,57,64)(H,58,66)(H,59,65)(H,60,67)(H,62,63)(H,69,70)(H4,51,52,53)/t28-,29-,36-,37-,38-,41-,42-,43-/m0/s1
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n/an/a 14n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibition of ET-1 stimulated arachidonic acid release in rabbit renal vascular smooth muscle cells


J Med Chem 38: 2809-19 (1995)


BindingDB Entry DOI: 10.7270/Q2KD1WZQ
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)/farnesyltransferase beta subunit


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50055631
PNG
(CHEMBL429183 | [(R)-1-((R)-2-(4-Benzyloxy-phenyl)-...)
Show SMILES C[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CSCc1ccccc1)NC(=O)[C@@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)[C@@H](Cc1cnc[nH]1)NC(=O)OCc1ccccc1)C(N)=O
Show InChI InChI=1S/C54H57N9O8S/c1-35(49(55)64)59-50(65)46(26-40-28-57-44-20-12-11-19-43(40)44)61-53(68)48(33-72-32-39-17-9-4-10-18-39)62-51(66)45(25-36-21-23-42(24-22-36)70-30-37-13-5-2-6-14-37)60-52(67)47(27-41-29-56-34-58-41)63-54(69)71-31-38-15-7-3-8-16-38/h2-24,28-29,34-35,45-48,57H,25-27,30-33H2,1H3,(H2,55,64)(H,56,58)(H,59,65)(H,60,67)(H,61,68)(H,62,66)(H,63,69)/t35-,45+,46+,47+,48+/m0/s1
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Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibitory concentration against rat brain farnesyltransferase


J Med Chem 40: 192-200 (1997)


Article DOI: 10.1021/jm960602m
BindingDB Entry DOI: 10.7270/Q2JW8FJ4
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)/farnesyltransferase beta subunit


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50369314
PNG
(CHEMBL1790438)
Show SMILES C[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](NC(=O)[C@@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)[C@@H](Cc1cnc[nH]1)NC(=O)OCc1ccccc1)[C@@H](C)OCc1ccccc1)C(N)=O
Show InChI InChI=1S/C55H59N9O9/c1-35(50(56)65)60-51(66)47(27-41-29-58-45-21-13-12-20-44(41)45)62-54(69)49(36(2)71-31-38-14-6-3-7-15-38)64-53(68)46(26-37-22-24-43(25-23-37)72-32-39-16-8-4-9-17-39)61-52(67)48(28-42-30-57-34-59-42)63-55(70)73-33-40-18-10-5-11-19-40/h3-25,29-30,34-36,46-49,58H,26-28,31-33H2,1-2H3,(H2,56,65)(H,57,59)(H,60,66)(H,61,67)(H,62,69)(H,63,70)(H,64,68)/t35-,36+,46+,47+,48+,49+/m0/s1
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Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibitory concentration against rat brain farnesyltransferase


J Med Chem 40: 192-200 (1997)


Article DOI: 10.1021/jm960602m
BindingDB Entry DOI: 10.7270/Q2JW8FJ4
More data for this
Ligand-Target Pair
EDNRB


(RAT)
BDBM50032181
PNG
(2-{1-[1-(2-carboxy-1-{1-[10,11-dihydro-5H-dibenzo[...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(C)=O)C1c2ccccc2CCc2ccccc12)[C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C52H67N7O10/c1-8-29(5)44(49(65)57-41(52(68)69)25-34-27-53-38-21-15-14-18-35(34)38)59-50(66)45(30(6)9-2)58-48(64)40(26-42(61)62)55-47(63)39(24-28(3)4)56-51(67)46(54-31(7)60)43-36-19-12-10-16-32(36)22-23-33-17-11-13-20-37(33)43/h10-21,27-30,39-41,43-46,53H,8-9,22-26H2,1-7H3,(H,54,60)(H,55,63)(H,56,67)(H,57,65)(H,58,64)(H,59,66)(H,61,62)(H,68,69)/t29-,30-,39-,40-,41-,44-,45-,46-/m0/s1
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Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity against endothelin B receptor rat cerebellar membranes.


J Med Chem 38: 2809-19 (1995)


BindingDB Entry DOI: 10.7270/Q2KD1WZQ
More data for this
Ligand-Target Pair
EDNRB


(RAT)
BDBM50032202
PNG
((S)-2-[(2S,3S)-2-((2S,3S)-2-{(S)-2-[(S)-2-((S)-2-A...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(C)=O)C(c1ccccc1)c1ccccc1)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C49H65N7O8/c1-9-29(5)41(46(60)54-39(49(63)64)26-35-27-50-37-24-18-17-23-36(35)37)56-47(61)42(30(6)10-2)55-44(58)31(7)51-45(59)38(25-28(3)4)53-48(62)43(52-32(8)57)40(33-19-13-11-14-20-33)34-21-15-12-16-22-34/h11-24,27-31,38-43,50H,9-10,25-26H2,1-8H3,(H,51,59)(H,52,57)(H,53,62)(H,54,60)(H,55,58)(H,56,61)(H,63,64)/t29-,30-,31-,38-,39-,41-,42-,43-/m0/s1
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Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity against endothelin B receptor rat cerebellar membranes.


J Med Chem 38: 2809-19 (1995)


BindingDB Entry DOI: 10.7270/Q2KD1WZQ
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)/farnesyltransferase beta subunit


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50060150
PNG
(CHEMBL114281 | [(S)-1-{(4-Benzyloxy-benzyl)-[((R)-...)
Show SMILES C[C@@H](CNC(=O)CN(Cc1ccc(OCc2ccccc2)cc1)C(=O)[C@H](Cc1cnc[nH]1)NC(=O)OCc1ccccc1)c1ccccc1
Show InChI InChI=1S/C39H41N5O5/c1-29(33-15-9-4-10-16-33)22-41-37(45)25-44(24-30-17-19-35(20-18-30)48-26-31-11-5-2-6-12-31)38(46)36(21-34-23-40-28-42-34)43-39(47)49-27-32-13-7-3-8-14-32/h2-20,23,28-29,36H,21-22,24-27H2,1H3,(H,40,42)(H,41,45)(H,43,47)/t29-,36-/m0/s1
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n/an/a 16n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
In vitro inhibition of rat farnesyltransferase.


J Med Chem 40: 3319-22 (1997)


Article DOI: 10.1021/jm970470c
BindingDB Entry DOI: 10.7270/Q2V69HQG
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))
BDBM50032207
PNG
((S)-3-[(S)-2-((S)-2-Acetylamino-3,3-diphenyl-propi...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(C)=O)C(c1ccccc1)c1ccccc1)C(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C49H63N7O10/c1-8-29(6)42(47(63)54-38(49(65)66)24-33-26-50-35-22-16-15-21-34(33)35)56-46(62)41(28(4)5)55-45(61)37(25-39(58)59)52-44(60)36(23-27(2)3)53-48(64)43(51-30(7)57)40(31-17-11-9-12-18-31)32-19-13-10-14-20-32/h9-22,26-29,36-38,40-43,50H,8,23-25H2,1-7H3,(H,51,57)(H,52,60)(H,53,64)(H,54,63)(H,55,61)(H,56,62)(H,58,59)(H,65,66)/t29-,36-,37-,38-,41-,42-,43-/m0/s1
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Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity against endothelin A receptor from rabbit renal vascular smooth muscles


J Med Chem 38: 2809-19 (1995)


BindingDB Entry DOI: 10.7270/Q2KD1WZQ
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)/farnesyltransferase beta subunit


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50060142
PNG
(CHEMBL326127 | [(S)-1-((4-Benzyloxy-benzyl)-{[(1-p...)
Show SMILES O=C(CN(Cc1ccc(OCc2ccccc2)cc1)C(=O)[C@H](Cc1cnc[nH]1)NC(=O)OCc1ccccc1)NCC1(CCCC1)c1ccccc1
Show InChI InChI=1S/C42H45N5O5/c48-39(44-30-42(22-10-11-23-42)35-16-8-3-9-17-35)27-47(26-32-18-20-37(21-19-32)51-28-33-12-4-1-5-13-33)40(49)38(24-36-25-43-31-45-36)46-41(50)52-29-34-14-6-2-7-15-34/h1-9,12-21,25,31,38H,10-11,22-24,26-30H2,(H,43,45)(H,44,48)(H,46,50)/t38-/m0/s1
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n/an/a 17n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
In vitro inhibition of rat farnesyltransferase.


J Med Chem 40: 3319-22 (1997)


Article DOI: 10.1021/jm970470c
BindingDB Entry DOI: 10.7270/Q2V69HQG
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Bos taurus (bovine))
BDBM50407296
PNG
(CHEMBL2052018 | L-731735)
Show SMILES CC[C@H](C)[C@@H](CN[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCO)C(O)=O)NC[C@@H](N)CS
Show InChI InChI=1S/C19H40N4O4S/c1-5-12(3)16(21-9-14(20)11-28)10-22-17(13(4)6-2)18(25)23-15(7-8-24)19(26)27/h12-17,21-22,24,28H,5-11,20H2,1-4H3,(H,23,25)(H,26,27)/t12-,13-,14+,15-,16+,17-/m0/s1
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n/an/a 18n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Activity against bovine Farnesyltransferase


J Med Chem 40: 2971-90 (1997)


Article DOI: 10.1021/jm970226l
BindingDB Entry DOI: 10.7270/Q26M37HF
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)/farnesyltransferase beta subunit


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50055636
PNG
(4-{(R)-2-Benzyloxy-1-[(R)-1-((S)-1-carbamoyl-ethyl...)
Show SMILES C[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](COCc1ccccc1)NC(=O)C(CCC(O)=O)NC(=O)[C@@H](Cc1cnc[nH]1)NC(=O)OCc1ccccc1)C(N)=O
Show InChI InChI=1S/C43H49N9O10/c1-26(38(44)55)48-40(57)34(18-29-20-46-32-15-9-8-14-31(29)32)50-42(59)36(24-61-22-27-10-4-2-5-11-27)51-39(56)33(16-17-37(53)54)49-41(58)35(19-30-21-45-25-47-30)52-43(60)62-23-28-12-6-3-7-13-28/h2-15,20-21,25-26,33-36,46H,16-19,22-24H2,1H3,(H2,44,55)(H,45,47)(H,48,57)(H,49,58)(H,50,59)(H,51,56)(H,52,60)(H,53,54)/t26-,33?,34+,35+,36+/m0/s1
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Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibitory concentration against rat brain farnesyltransferase


J Med Chem 40: 192-200 (1997)


Article DOI: 10.1021/jm960602m
BindingDB Entry DOI: 10.7270/Q2JW8FJ4
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)/farnesyltransferase beta subunit


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50055613
PNG
(CHEMBL436158 | [(R)-1-((R)-1-{(R)-2-Benzyloxy-1-[(...)
Show SMILES C[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](COCc1ccccc1)NC(=O)[C@@H](CCc1ccccc1)NC(=O)[C@@H](Cc1cnc[nH]1)NC(=O)OCc1ccccc1)C(N)=O
Show InChI InChI=1S/C48H53N9O8/c1-31(43(49)58)53-45(60)40(23-35-25-51-38-20-12-11-19-37(35)38)55-47(62)42(29-64-27-33-15-7-3-8-16-33)56-44(59)39(22-21-32-13-5-2-6-14-32)54-46(61)41(24-36-26-50-30-52-36)57-48(63)65-28-34-17-9-4-10-18-34/h2-20,25-26,30-31,39-42,51H,21-24,27-29H2,1H3,(H2,49,58)(H,50,52)(H,53,60)(H,54,61)(H,55,62)(H,56,59)(H,57,63)/t31-,39+,40+,41+,42+/m0/s1
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Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibitory concentration against rat brain farnesyltransferase


J Med Chem 40: 192-200 (1997)


Article DOI: 10.1021/jm960602m
BindingDB Entry DOI: 10.7270/Q2JW8FJ4
More data for this
Ligand-Target Pair
EDNRB


(RAT)
BDBM50032172
PNG
((S)-3-[(S)-2-((S)-2-Acetylamino-3,3-diphenyl-propi...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(C)=O)C(c1ccccc1)c1ccccc1)[C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C50H65N7O10/c1-8-29(5)42(47(63)55-39(50(66)67)25-34-27-51-36-23-17-16-22-35(34)36)57-48(64)43(30(6)9-2)56-46(62)38(26-40(59)60)53-45(61)37(24-28(3)4)54-49(65)44(52-31(7)58)41(32-18-12-10-13-19-32)33-20-14-11-15-21-33/h10-23,27-30,37-39,41-44,51H,8-9,24-26H2,1-7H3,(H,52,58)(H,53,61)(H,54,65)(H,55,63)(H,56,62)(H,57,64)(H,59,60)(H,66,67)/t29-,30-,37-,38-,39-,42-,43-,44-/m0/s1
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n/an/a 20n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibition of ET-1 stimulated arachidonic acid release in CHO cells expressing rat ET- B receptors


J Med Chem 38: 2809-19 (1995)


BindingDB Entry DOI: 10.7270/Q2KD1WZQ
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)/farnesyltransferase beta subunit


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50059876
PNG
(CHEMBL217423 | [(S)-1-[(S)-1-{(S)-2-Benzyloxy-1-[(...)
Show SMILES C[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](COCc1ccccc1)NC(=O)[C@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)OCc1ccccc1)C(N)=O
Show InChI InChI=1S/C54H57N9O9/c1-35(49(55)64)59-50(65)46(26-40-28-57-44-20-12-11-19-43(40)44)61-53(68)48(33-70-30-37-13-5-2-6-14-37)62-51(66)45(25-36-21-23-42(24-22-36)71-31-38-15-7-3-8-16-38)60-52(67)47(27-41-29-56-34-58-41)63-54(69)72-32-39-17-9-4-10-18-39/h2-24,28-29,34-35,45-48,57H,25-27,30-33H2,1H3,(H2,55,64)(H,56,58)(H,59,65)(H,60,67)(H,61,68)(H,62,66)(H,63,69)/t35-,45+,46+,47+,48+/m1/s1
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n/an/a 20n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibition of rat brain farnesyltransferase in 30 mM potassium phosphate buffer


J Med Chem 40: 192-200 (1997)


Article DOI: 10.1021/jm960602m
BindingDB Entry DOI: 10.7270/Q2JW8FJ4
More data for this
Ligand-Target Pair
EDNRB


(RAT)
BDBM50032166
PNG
((S)-3-[(S)-2-((S)-2-Acetylamino-3-phenyl-propionyl...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(C)=O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C47H59N7O10/c1-6-27(3)40(45(61)52-38(47(63)64)24-32-26-48-34-21-15-14-20-33(32)34)54-46(62)41(28(4)7-2)53-44(60)37(25-39(56)57)51-43(59)36(23-31-18-12-9-13-19-31)50-42(58)35(49-29(5)55)22-30-16-10-8-11-17-30/h8-21,26-28,35-38,40-41,48H,6-7,22-25H2,1-5H3,(H,49,55)(H,50,58)(H,51,59)(H,52,61)(H,53,60)(H,54,62)(H,56,57)(H,63,64)/t27-,28-,35-,36-,37-,38-,40-,41-/m0/s1
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n/an/a 20n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity against endothelin B receptor rat cerebellar membranes.


J Med Chem 38: 2809-19 (1995)


BindingDB Entry DOI: 10.7270/Q2KD1WZQ
More data for this
Ligand-Target Pair
EDNRB


(RAT)
BDBM50032178
PNG
((S)-N-((1S,2S)-1-{(1S,2S)-1-[(S)-1-Carboxy-2-(1H-i...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)NC)C(c1ccccc1)c1ccccc1)[C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C50H66N8O10/c1-8-29(5)41(46(63)55-38(49(66)67)25-33-27-52-35-23-17-16-22-34(33)35)57-47(64)42(30(6)9-2)56-45(62)37(26-39(59)60)53-44(61)36(24-28(3)4)54-48(65)43(58-50(68)51-7)40(31-18-12-10-13-19-31)32-20-14-11-15-21-32/h10-23,27-30,36-38,40-43,52H,8-9,24-26H2,1-7H3,(H,53,61)(H,54,65)(H,55,63)(H,56,62)(H,57,64)(H,59,60)(H,66,67)(H2,51,58,68)/t29-,30-,36-,37-,38-,41-,42-,43-/m0/s1
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n/an/a 20n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibition of ET-1 stimulated arachidonic acid release in CHO cells expressing rat ET- B receptors


J Med Chem 38: 2809-19 (1995)


BindingDB Entry DOI: 10.7270/Q2KD1WZQ
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)/farnesyltransferase beta subunit


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50059876
PNG
(CHEMBL217423 | [(S)-1-[(S)-1-{(S)-2-Benzyloxy-1-[(...)
Show SMILES C[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](COCc1ccccc1)NC(=O)[C@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)OCc1ccccc1)C(N)=O
Show InChI InChI=1S/C54H57N9O9/c1-35(49(55)64)59-50(65)46(26-40-28-57-44-20-12-11-19-43(40)44)61-53(68)48(33-70-30-37-13-5-2-6-14-37)62-51(66)45(25-36-21-23-42(24-22-36)71-31-38-15-7-3-8-16-38)60-52(67)47(27-41-29-56-34-58-41)63-54(69)72-32-39-17-9-4-10-18-39/h2-24,28-29,34-35,45-48,57H,25-27,30-33H2,1H3,(H2,55,64)(H,56,58)(H,59,65)(H,60,67)(H,61,68)(H,62,66)(H,63,69)/t35-,45+,46+,47+,48+/m1/s1
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n/an/a 20n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibitory concentration against rat brain farnesyltransferase


J Med Chem 40: 192-200 (1997)


Article DOI: 10.1021/jm960602m
BindingDB Entry DOI: 10.7270/Q2JW8FJ4
More data for this
Ligand-Target Pair
EDNRB


(RAT)
BDBM50045244
PNG
((S)-3-[(S)-2-((R)-2-Acetylamino-3-phenyl-propionyl...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1ccccc1)NC(C)=O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C47H59N7O10/c1-6-27(3)40(45(61)52-38(47(63)64)24-32-26-48-34-21-15-14-20-33(32)34)54-46(62)41(28(4)7-2)53-44(60)37(25-39(56)57)51-43(59)36(23-31-18-12-9-13-19-31)50-42(58)35(49-29(5)55)22-30-16-10-8-11-17-30/h8-21,26-28,35-38,40-41,48H,6-7,22-25H2,1-5H3,(H,49,55)(H,50,58)(H,51,59)(H,52,61)(H,53,60)(H,54,62)(H,56,57)(H,63,64)/t27-,28-,35+,36-,37-,38-,40-,41-/m0/s1
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n/an/a 20n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Effective concentration against Endothelin B receptor from rat cerebellum


J Med Chem 36: 2585-94 (1993)


BindingDB Entry DOI: 10.7270/Q2V69K6K
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (Human))
BDBM50059881
PNG
(CHEMBL406781 | [(R)-1-[(S)-1-{(S)-2-Benzyloxy-1-[(...)
Show SMILES C[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](COCc1ccccc1)NC(=O)[C@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)[C@@H](Cc1cnc[nH]1)NC(=O)OCc1ccccc1)C(N)=O
Show InChI InChI=1S/C54H57N9O9/c1-35(49(55)64)59-50(65)46(26-40-28-57-44-20-12-11-19-43(40)44)61-53(68)48(33-70-30-37-13-5-2-6-14-37)62-51(66)45(25-36-21-23-42(24-22-36)71-31-38-15-7-3-8-16-38)60-52(67)47(27-41-29-56-34-58-41)63-54(69)72-32-39-17-9-4-10-18-39/h2-24,28-29,34-35,45-48,57H,25-27,30-33H2,1H3,(H2,55,64)(H,56,58)(H,59,65)(H,60,67)(H,61,68)(H,62,66)(H,63,69)/t35-,45+,46+,47-,48+/m1/s1
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n/an/a 20n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Activity against Farnesyltransferase


J Med Chem 40: 2971-90 (1997)


Article DOI: 10.1021/jm970226l
BindingDB Entry DOI: 10.7270/Q26M37HF
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (Human))
BDBM50059844
PNG
(CHEMBL319271 | [(R)-1-[(S)-1-(2-Benzyloxy-ethylcar...)
Show SMILES O=C(N[C@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)NCCOCc1ccccc1)OCc1ccccc1
Show InChI InChI=1S/C39H41N5O6/c45-37(41-20-21-48-25-30-10-4-1-5-11-30)35(22-29-16-18-34(19-17-29)49-26-31-12-6-2-7-13-31)43-38(46)36(23-33-24-40-28-42-33)44-39(47)50-27-32-14-8-3-9-15-32/h1-19,24,28,35-36H,20-23,25-27H2,(H,40,42)(H,41,45)(H,43,46)(H,44,47)/t35-,36+/m0/s1
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n/an/a 20n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Activity against Farnesyltransferase


J Med Chem 40: 2971-90 (1997)


Article DOI: 10.1021/jm970226l
BindingDB Entry DOI: 10.7270/Q26M37HF
More data for this
Ligand-Target Pair
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