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Compile Data Set for Download or QSAR

Found 36 hits with Last Name = 'thomas' and Initial = 'ce'   
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)/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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n/an/a 2n/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))
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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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))
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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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))
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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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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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))
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))
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
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)/farnesyltransferase beta subunit


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50060148
PNG
(CHEMBL325331 | [(S)-1-{(4-Benzyloxy-benzyl)-[(2-ph...)
Show SMILES CCCC(CNC(=O)CN(Cc1ccc(OCc2ccccc2)cc1)C(=O)[C@H](Cc1cnc[nH]1)NC(=O)OCc1ccccc1)c1ccccc1
Show InChI InChI=1S/C41H45N5O5/c1-2-12-35(34-17-10-5-11-18-34)24-43-39(47)27-46(26-31-19-21-37(22-20-31)50-28-32-13-6-3-7-14-32)40(48)38(23-36-25-42-30-44-36)45-41(49)51-29-33-15-8-4-9-16-33/h3-11,13-22,25,30,35,38H,2,12,23-24,26-29H2,1H3,(H,42,44)(H,43,47)(H,45,49)/t35?,38-/m0/s1
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n/an/a 25n/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))
BDBM50060152
PNG
(CHEMBL112879 | [(S)-1-{(4-Benzyloxy-benzyl)-[(2-et...)
Show SMILES CCC(CC)(CNC(=O)CN(Cc1ccc(OCc2ccccc2)cc1)C(=O)[C@H](Cc1cnc[nH]1)NC(=O)OCc1ccccc1)c1ccccc1
Show InChI InChI=1S/C42H47N5O5/c1-3-42(4-2,35-18-12-7-13-19-35)30-44-39(48)27-47(26-32-20-22-37(23-21-32)51-28-33-14-8-5-9-15-33)40(49)38(24-36-25-43-31-45-36)46-41(50)52-29-34-16-10-6-11-17-34/h5-23,25,31,38H,3-4,24,26-30H2,1-2H3,(H,43,45)(H,44,48)(H,46,50)/t38-/m0/s1
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n/an/a 32n/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))
BDBM50060143
PNG
(CHEMBL324345 | [(S)-1-{(4-Benzyloxy-benzyl)-[((S)-...)
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-/m0/s1
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n/an/a 41n/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))
BDBM50059857
PNG
(CHEMBL102955 | [(S)-1-[(4-Benzyloxy-benzyl)-(phene...)
Show SMILES O=C(CN(Cc1ccc(OCc2ccccc2)cc1)C(=O)[C@H](Cc1cnc[nH]1)NC(=O)OCc1ccccc1)NCCc1ccccc1
Show InChI InChI=1S/C38H39N5O5/c44-36(40-21-20-29-10-4-1-5-11-29)25-43(24-30-16-18-34(19-17-30)47-26-31-12-6-2-7-13-31)37(45)35(22-33-23-39-28-41-33)42-38(46)48-27-32-14-8-3-9-15-32/h1-19,23,28,35H,20-22,24-27H2,(H,39,41)(H,40,44)(H,42,46)/t35-/m0/s1
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n/an/a 62n/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))
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 76n/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
GTPase HRas


(Homo sapiens (Human))
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 88n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Concentration required to inhibit 50% of the cultured colonies of H-Ras-Fcells .


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
GTPase HRas


(Homo sapiens (Human))
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 180n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Concentration required to inhibit 50% of the cultured colonies of H-Ras-Fcells .


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
GTPase HRas


(Homo sapiens (Human))
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 180n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Concentration required to inhibit 50% of the cultured colonies of H-Ras-Fcells .


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
GTPase HRas


(Homo sapiens (Human))
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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n/an/a 190n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Concentration required to inhibit 50% of the cultured colonies of H-Ras-Fcells .


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))
BDBM50060151
PNG
(CHEMBL408134 | [(S)-1-{(4-Benzyloxy-benzyl)-[(1,1-...)
Show SMILES CC(C)(Cc1ccccc1)NC(=O)CN(Cc1ccc(OCc2ccccc2)cc1)C(=O)[C@H](Cc1cnc[nH]1)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C40H43N5O5/c1-40(2,23-30-12-6-3-7-13-30)44-37(46)26-45(25-31-18-20-35(21-19-31)49-27-32-14-8-4-9-15-32)38(47)36(22-34-24-41-29-42-34)43-39(48)50-28-33-16-10-5-11-17-33/h3-21,24,29,36H,22-23,25-28H2,1-2H3,(H,41,42)(H,43,48)(H,44,46)/t36-/m0/s1
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n/an/a 270n/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
GTPase HRas


(Homo sapiens (Human))
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 300n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Concentration required to inhibit 50% of the cultured colonies of H-Ras-Fcells .


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
GTPase HRas


(Homo sapiens (Human))
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 310n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Concentration required to inhibit 50% of the cultured colonies of H-Ras-Fcells .


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))
BDBM50059879
PNG
(CHEMBL102492 | [(S)-1-{(4-Benzyloxy-benzyl)-[(2-be...)
Show SMILES O=C(CN(Cc1ccc(OCc2ccccc2)cc1)C(=O)[C@H](Cc1cnc[nH]1)NC(=O)OCc1ccccc1)NCCOCc1ccccc1
Show InChI InChI=1S/C39H41N5O6/c45-37(41-20-21-48-26-31-10-4-1-5-11-31)25-44(24-30-16-18-35(19-17-30)49-27-32-12-6-2-7-13-32)38(46)36(22-34-23-40-29-42-34)43-39(47)50-28-33-14-8-3-9-15-33/h1-19,23,29,36H,20-22,24-28H2,(H,40,42)(H,41,45)(H,43,47)/t36-/m0/s1
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n/an/a 320n/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
GTPase HRas


(Homo sapiens (Human))
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 330n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Concentration required to inhibit 50% of the cultured colonies of H-Ras-Fcells .


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
GTPase HRas


(Homo sapiens (Human))
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 400n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Concentration required to inhibit 50% of the cultured colonies of H-Ras-Fcells .


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
GTPase HRas


(Homo sapiens (Human))
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 570n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Concentration required to inhibit 50% of the cultured colonies of H-Ras-Fcells .


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
GTPase HRas


(Homo sapiens (Human))
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 710n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Concentration required to inhibit 50% of the cultured colonies of H-Ras-Fcells .


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
GTPase HRas


(Homo sapiens (Human))
BDBM50060148
PNG
(CHEMBL325331 | [(S)-1-{(4-Benzyloxy-benzyl)-[(2-ph...)
Show SMILES CCCC(CNC(=O)CN(Cc1ccc(OCc2ccccc2)cc1)C(=O)[C@H](Cc1cnc[nH]1)NC(=O)OCc1ccccc1)c1ccccc1
Show InChI InChI=1S/C41H45N5O5/c1-2-12-35(34-17-10-5-11-18-34)24-43-39(47)27-46(26-31-19-21-37(22-20-31)50-28-32-13-6-3-7-14-32)40(48)38(23-36-25-42-30-44-36)45-41(49)51-29-33-15-8-4-9-16-33/h3-11,13-22,25,30,35,38H,2,12,23-24,26-29H2,1H3,(H,42,44)(H,43,47)(H,45,49)/t35?,38-/m0/s1
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n/an/a>1.00E+3n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Concentration required to inhibit 50% of the cultured colonies of H-Ras-Fcells .


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
GTPase HRas


(Homo sapiens (Human))
BDBM50060152
PNG
(CHEMBL112879 | [(S)-1-{(4-Benzyloxy-benzyl)-[(2-et...)
Show SMILES CCC(CC)(CNC(=O)CN(Cc1ccc(OCc2ccccc2)cc1)C(=O)[C@H](Cc1cnc[nH]1)NC(=O)OCc1ccccc1)c1ccccc1
Show InChI InChI=1S/C42H47N5O5/c1-3-42(4-2,35-18-12-7-13-19-35)30-44-39(48)27-47(26-32-20-22-37(23-21-32)51-28-33-14-8-5-9-15-33)40(49)38(24-36-25-43-31-45-36)46-41(50)52-29-34-16-10-6-11-17-34/h5-23,25,31,38H,3-4,24,26-30H2,1-2H3,(H,43,45)(H,44,48)(H,46,50)/t38-/m0/s1
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Warner-Lambert Company

Curated by ChEMBL


Assay Description
Concentration required to inhibit 50% of the cultured colonies of H-Ras-Fcells .


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))
BDBM50060147
PNG
(CHEMBL114495 | [(S)-1-{(4-Benzyloxy-benzyl)-[(meth...)
Show SMILES CN(CCc1ccccc1)C(=O)CN(Cc1ccc(OCc2ccccc2)cc1)C(=O)[C@H](Cc1cnc[nH]1)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C39H41N5O5/c1-43(22-21-30-11-5-2-6-12-30)37(45)26-44(25-31-17-19-35(20-18-31)48-27-32-13-7-3-8-14-32)38(46)36(23-34-24-40-29-41-34)42-39(47)49-28-33-15-9-4-10-16-33/h2-20,24,29,36H,21-23,25-28H2,1H3,(H,40,41)(H,42,47)/t36-/m0/s1
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n/an/a 4.00E+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
GTPase HRas


(Homo sapiens (Human))
BDBM50059857
PNG
(CHEMBL102955 | [(S)-1-[(4-Benzyloxy-benzyl)-(phene...)
Show SMILES O=C(CN(Cc1ccc(OCc2ccccc2)cc1)C(=O)[C@H](Cc1cnc[nH]1)NC(=O)OCc1ccccc1)NCCc1ccccc1
Show InChI InChI=1S/C38H39N5O5/c44-36(40-21-20-29-10-4-1-5-11-29)25-43(24-30-16-18-34(19-17-30)47-26-31-12-6-2-7-13-31)37(45)35(22-33-23-39-28-41-33)42-38(46)48-27-32-14-8-3-9-15-32/h1-19,23,28,35H,20-22,24-27H2,(H,39,41)(H,40,44)(H,42,46)/t35-/m0/s1
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n/an/a 4.30E+3n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Concentration required to inhibit 50% of the cultured colonies of H-Ras-Fcells .


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
GTPase HRas


(Homo sapiens (Human))
BDBM50060143
PNG
(CHEMBL324345 | [(S)-1-{(4-Benzyloxy-benzyl)-[((S)-...)
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-/m0/s1
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n/an/a 6.30E+3n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Concentration required to inhibit 50% of the cultured colonies of H-Ras-Fcells .


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
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50434279
PNG
(CHEMBL2386162)
Show SMILES COc1ccc(O[C@@H](CC(C)C)[C@H]2CCNC2)c(C)n1 |r|
Show InChI InChI=1S/C16H26N2O2/c1-11(2)9-15(13-7-8-17-10-13)20-14-5-6-16(19-4)18-12(14)3/h5-6,11,13,15,17H,7-10H2,1-4H3/t13-,15-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Eli Lilly and Company Ltd.

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6 (unknown origin)


ACS Med Chem Lett 4: 560-4 (2013)


Article DOI: 10.1021/ml400049p
BindingDB Entry DOI: 10.7270/Q2PG1T39
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM50434279
PNG
(CHEMBL2386162)
Show SMILES COc1ccc(O[C@@H](CC(C)C)[C@H]2CCNC2)c(C)n1 |r|
Show InChI InChI=1S/C16H26N2O2/c1-11(2)9-15(13-7-8-17-10-13)20-14-5-6-16(19-4)18-12(14)3/h5-6,11,13,15,17H,7-10H2,1-4H3/t13-,15-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Eli Lilly and Company Ltd.

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9 (unknown origin)


ACS Med Chem Lett 4: 560-4 (2013)


Article DOI: 10.1021/ml400049p
BindingDB Entry DOI: 10.7270/Q2PG1T39
More data for this
Ligand-Target Pair
Cytochrome P450 1A


(Homo sapiens (Human))
BDBM50434279
PNG
(CHEMBL2386162)
Show SMILES COc1ccc(O[C@@H](CC(C)C)[C@H]2CCNC2)c(C)n1 |r|
Show InChI InChI=1S/C16H26N2O2/c1-11(2)9-15(13-7-8-17-10-13)20-14-5-6-16(19-4)18-12(14)3/h5-6,11,13,15,17H,7-10H2,1-4H3/t13-,15-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Eli Lilly and Company Ltd.

Curated by ChEMBL


Assay Description
Inhibition of CYP1A2 (unknown origin)


ACS Med Chem Lett 4: 560-4 (2013)


Article DOI: 10.1021/ml400049p
BindingDB Entry DOI: 10.7270/Q2PG1T39
More data for this
Ligand-Target Pair
GTPase HRas


(Homo sapiens (Human))
BDBM50059879
PNG
(CHEMBL102492 | [(S)-1-{(4-Benzyloxy-benzyl)-[(2-be...)
Show SMILES O=C(CN(Cc1ccc(OCc2ccccc2)cc1)C(=O)[C@H](Cc1cnc[nH]1)NC(=O)OCc1ccccc1)NCCOCc1ccccc1
Show InChI InChI=1S/C39H41N5O6/c45-37(41-20-21-48-26-31-10-4-1-5-11-31)25-44(24-30-16-18-35(19-17-30)49-27-32-12-6-2-7-13-32)38(46)36(22-34-23-40-29-42-34)43-39(47)50-28-33-14-8-3-9-15-33/h1-19,23,29,36H,20-22,24-28H2,(H,40,42)(H,41,45)(H,43,47)/t36-/m0/s1
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n/an/a 1.43E+4n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Concentration required to inhibit 50% of the cultured colonies of H-Ras-Fcells .


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