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Compile Data Set for Download or QSAR

Found 219 hits with Last Name = 'rovnyak' and Initial = 'g'   
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
Angiotensin-converting enzyme


(Oryctolagus cuniculus)
BDBM50018850
PNG
(1-(3-Mercapto-2-methyl-propionyl)-4-phenylsulfanyl...)
Show SMILES C[C@H](CS)C(=O)N1C[C@H](C[C@H]1C(O)=O)Sc1ccccc1
Show InChI InChI=1S/C15H19NO3S2/c1-10(9-20)14(17)16-8-12(7-13(16)15(18)19)21-11-5-3-2-4-6-11/h2-6,10,12-13,20H,7-9H2,1H3,(H,18,19)/t10-,12+,13+/m1/s1
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0.400n/an/an/an/an/an/an/an/a



Princ

Curated by ChEMBL


Assay Description
Inhibitory constant against rabbit lung Angiotensin I converting enzyme


J Med Chem 31: 1148-60 (1988)


Article DOI: 10.1021/jm00401a014
BindingDB Entry DOI: 10.7270/Q2V125DX
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)
BDBM50367254
PNG
(ENALAPRILAT)
Show SMILES C[C@H](N[C@@H](CCc1ccccc1)C(O)=O)C(=O)N1CCC[C@H]1C(O)=O
Show InChI InChI=1/C18H24N2O5/c1-12(16(21)20-11-5-8-15(20)18(24)25)19-14(17(22)23)10-9-13-6-3-2-4-7-13/h2-4,6-7,12,14-15,19H,5,8-11H2,1H3,(H,22,23)(H,24,25)/t12-,14-,15-/s2
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1.40n/an/an/an/an/an/an/an/a



Princ

Curated by ChEMBL


Assay Description
Inhibitory activity against rabbit lung angiotensin-1 converting enzyme


J Med Chem 31: 1148-60 (1988)


Article DOI: 10.1021/jm00401a014
BindingDB Entry DOI: 10.7270/Q2V125DX
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)
BDBM50018849
PNG
(4-Cyclohexyl-1-{2-[hydroxy-(4-phenyl-butyl)-phosph...)
Show SMILES OC(=O)[C@@H]1C[C@H](CN1C(=O)CP(O)(=O)CCCCc1ccccc1)C1CCCCC1
Show InChI InChI=1S/C23H34NO5P/c25-22(17-30(28,29)14-8-7-11-18-9-3-1-4-10-18)24-16-20(15-21(24)23(26)27)19-12-5-2-6-13-19/h1,3-4,9-10,19-21H,2,5-8,11-17H2,(H,26,27)(H,28,29)/t20-,21+/m1/s1
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1.5n/an/an/an/an/an/an/an/a



Princ

Curated by ChEMBL


Assay Description
Inhibitory activity against rabbit lung angiotensin-1 converting enzyme


J Med Chem 31: 1148-60 (1988)


Article DOI: 10.1021/jm00401a014
BindingDB Entry DOI: 10.7270/Q2V125DX
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)
BDBM21642
PNG
((2S)-1-[(2S)-2-methyl-3-sulfanylpropanoyl]pyrrolid...)
Show SMILES C[C@H](CS)C(=O)N1CCC[C@H]1C(O)=O
Show InChI InChI=1S/C9H15NO3S/c1-6(5-14)8(11)10-4-2-3-7(10)9(12)13/h6-7,14H,2-5H2,1H3,(H,12,13)/t6-,7+/m1/s1
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1.70n/an/an/an/an/an/an/an/a



Princ

Curated by ChEMBL


Assay Description
Inhibitory activity against rabbit lung angiotensin-1 converting enzyme


J Med Chem 31: 1148-60 (1988)


Article DOI: 10.1021/jm00401a014
BindingDB Entry DOI: 10.7270/Q2V125DX
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)
BDBM50018848
PNG
(1-{2-[Hydroxy-(4-phenyl-butyl)-phosphinoyl]-acetyl...)
Show SMILES OC(=O)[C@@H]1CCCN1C(=O)CP(O)(=O)CCCCc1ccccc1
Show InChI InChI=1S/C17H24NO5P/c19-16(18-11-6-10-15(18)17(20)21)13-24(22,23)12-5-4-9-14-7-2-1-3-8-14/h1-3,7-8,15H,4-6,9-13H2,(H,20,21)(H,22,23)/t15-/m0/s1
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15n/an/an/an/an/an/an/an/a



Princ

Curated by ChEMBL


Assay Description
Inhibitory activity against rabbit lung angiotensin-1 converting enzyme


J Med Chem 31: 1148-60 (1988)


Article DOI: 10.1021/jm00401a014
BindingDB Entry DOI: 10.7270/Q2V125DX
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (Human))
BDBM13320
PNG
(1-Methyl-1H-imidazole-4-sulfonic Acid [6-Cyano-1-(...)
Show SMILES CC(=C)CN(C1CN(Cc2cncn2C)c2ccc(cc2C1)C#N)S(=O)(=O)c1cn(C)cn1
Show InChI InChI=1/C23H27N7O2S/c1-17(2)11-30(33(31,32)23-14-27(3)16-26-23)20-8-19-7-18(9-24)5-6-22(19)29(12-20)13-21-10-25-15-28(21)4/h5-7,10,14-16,20H,1,8,11-13H2,2-4H3
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n/an/a 0.300n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human farnesyltransferase


Bioorg Med Chem Lett 15: 1895-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.004
BindingDB Entry DOI: 10.7270/Q2RB75CJ
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (Human))
BDBM50164021
PNG
(1-Methyl-1H-imidazole-4-sulfonic acid [6-cyano-1-(...)
Show SMILES Cn1cnc(c1)S(=O)(=O)N(Cc1ccsc1)C1CN(Cc2cncn2C)c2ccc(cc2C1)C#N
Show InChI InChI=1/C24H25N7O2S2/c1-28-14-24(27-17-28)35(32,33)31(11-19-5-6-34-15-19)21-8-20-7-18(9-25)3-4-23(20)30(12-21)13-22-10-26-16-29(22)2/h3-7,10,14-17,21H,8,11-13H2,1-2H3
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n/an/a 0.600n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human farnesyltransferase


Bioorg Med Chem Lett 15: 1895-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.004
BindingDB Entry DOI: 10.7270/Q2RB75CJ
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (Human))
BDBM13319
PNG
(BMS-386914 | CHEMBL183536 | [[6-Cyano-1-(3-methyl-...)
Show SMILES Cn1cnc(c1)S(=O)(=O)N(CC(=O)OC(C)(C)C)C1CN(Cc2cncn2C)c2ccc(cc2C1)C#N
Show InChI InChI=1/C25H31N7O4S/c1-25(2,3)36-24(33)15-32(37(34,35)23-14-29(4)17-28-23)20-9-19-8-18(10-26)6-7-22(19)31(12-20)13-21-11-27-16-30(21)5/h6-8,11,14,16-17,20H,9,12-13,15H2,1-5H3
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n/an/a 0.600n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human farnesyltransferase


Bioorg Med Chem Lett 15: 1895-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.004
BindingDB Entry DOI: 10.7270/Q2RB75CJ
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (Human))
BDBM50164025
PNG
(BMS-316810 | CHEMBL360330 | Pyridine-2-sulfonic ac...)
Show SMILES Cn1cncc1CN1CC(Cc2cc(ccc12)C#N)N(Cc1ccsc1)S(=O)(=O)c1ccccn1
Show InChI InChI=1/C25H24N6O2S2/c1-29-18-27-13-23(29)16-30-15-22(11-21-10-19(12-26)5-6-24(21)30)31(14-20-7-9-34-17-20)35(32,33)25-4-2-3-8-28-25/h2-10,13,17-18,22H,11,14-16H2,1H3
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n/an/a 0.700n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human farnesyltransferase


Bioorg Med Chem Lett 15: 1895-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.004
BindingDB Entry DOI: 10.7270/Q2RB75CJ
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (Human))
BDBM50164027
PNG
(1-Methyl-1H-pyrazole-4-sulfonic acid [6-cyano-1-(3...)
Show SMILES Cn1cc(cn1)S(=O)(=O)N(Cc1ccsc1)C1CN(Cc2cncn2C)c2ccc(cc2C1)C#N
Show InChI InChI=1/C24H25N7O2S2/c1-28-17-26-10-22(28)14-30-13-21(8-20-7-18(9-25)3-4-24(20)30)31(12-19-5-6-34-16-19)35(32,33)23-11-27-29(2)15-23/h3-7,10-11,15-17,21H,8,12-14H2,1-2H3
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n/an/a 0.700n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human farnesyltransferase


Bioorg Med Chem Lett 15: 1895-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.004
BindingDB Entry DOI: 10.7270/Q2RB75CJ
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (Human))
BDBM50164003
PNG
(CHEMBL183773 | N-[6-Cyano-1-(3-methyl-3H-imidazol-...)
Show SMILES CC(=C)CN(C1CN(Cc2cncn2C)c2ccc(cc2C1)C#N)S(C)(=O)=O
Show InChI InChI=1/C20H25N5O2S/c1-15(2)11-25(28(4,26)27)18-8-17-7-16(9-21)5-6-20(17)24(12-18)13-19-10-22-14-23(19)3/h5-7,10,14,18H,1,8,11-13H2,2-4H3
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n/an/a 0.800n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human farnesyltransferase


Bioorg Med Chem Lett 15: 1895-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.004
BindingDB Entry DOI: 10.7270/Q2RB75CJ
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (Human))
BDBM50164009
PNG
(CHEMBL182813 | Pyridine-2-sulfonic acid [6-cyano-1...)
Show SMILES CC(=C)CN(C1CN(Cc2cncn2C)c2ccc(cc2C1)C#N)S(=O)(=O)c1ccccn1
Show InChI InChI=1/C24H26N6O2S/c1-18(2)14-30(33(31,32)24-6-4-5-9-27-24)21-11-20-10-19(12-25)7-8-23(20)29(15-21)16-22-13-26-17-28(22)3/h4-10,13,17,21H,1,11,14-16H2,2-3H3
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n/an/a 0.900n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human farnesyltransferase


Bioorg Med Chem Lett 15: 1895-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.004
BindingDB Entry DOI: 10.7270/Q2RB75CJ
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (Human))
BDBM50164017
PNG
(CHEMBL183544 | N-[6-Cyano-1-(3-methyl-3H-imidazol-...)
Show SMILES CC(=C)CN(C1CN(Cc2cncn2C)c2ccc(cc2C1)C#N)S(=O)(=O)c1ccccc1
Show InChI InChI=1/C25H27N5O2S/c1-19(2)15-30(33(31,32)24-7-5-4-6-8-24)22-12-21-11-20(13-26)9-10-25(21)29(16-22)17-23-14-27-18-28(23)3/h4-11,14,18,22H,1,12,15-17H2,2-3H3
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n/an/a 0.900n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human farnesyltransferase


Bioorg Med Chem Lett 15: 1895-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.004
BindingDB Entry DOI: 10.7270/Q2RB75CJ
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (Human))
BDBM50164013
PNG
(CHEMBL439846 | Pyridine-3-sulfonic acid benzyl-[6-...)
Show SMILES Cn1cncc1CN1CC(Cc2cc(ccc12)C#N)N(Cc1ccccc1)S(=O)(=O)c1cccnc1
Show InChI InChI=1/C27H26N6O2S/c1-31-20-30-15-25(31)19-32-18-24(13-23-12-22(14-28)9-10-27(23)32)33(17-21-6-3-2-4-7-21)36(34,35)26-8-5-11-29-16-26/h2-12,15-16,20,24H,13,17-19H2,1H3
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n/an/a 0.900n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human farnesyltransferase


Bioorg Med Chem Lett 15: 1895-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.004
BindingDB Entry DOI: 10.7270/Q2RB75CJ
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (Human))
BDBM50164023
PNG
(CHEMBL180307 | Pyridine-3-sulfonic acid [6-cyano-1...)
Show SMILES Cn1cncc1CN1CC(Cc2cc(ccc12)C#N)N(Cc1ccsc1)S(=O)(=O)c1cccnc1
Show InChI InChI=1/C25H24N6O2S2/c1-29-18-28-12-23(29)16-30-15-22(10-21-9-19(11-26)4-5-25(21)30)31(14-20-6-8-34-17-20)35(32,33)24-3-2-7-27-13-24/h2-9,12-13,17-18,22H,10,14-16H2,1H3
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n/an/a 0.900n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human farnesyltransferase


Bioorg Med Chem Lett 15: 1895-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.004
BindingDB Entry DOI: 10.7270/Q2RB75CJ
More data for this
Ligand-Target Pair
Voltage-gated L-type calcium channel


(Homo sapiens (Human))
BDBM50318494
PNG
(3-ethyl 5-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,...)
Show SMILES CCOC(=O)C1=C(C)N=C(C)C(C1c1cccc(c1)[N+]([O-])=O)C(=O)OC
Show InChI InChI=1/C18H20N2O6/c1-5-26-18(22)15-11(3)19-10(2)14(17(21)25-4)16(15)12-7-6-8-13(9-12)20(23)24/h6-9,14,16H,5H2,1-4H3
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n/an/a 1n/an/an/an/an/an/a



Squibb Institute for Medical Research

Curated by ChEMBL


Assay Description
In vitro vasorelaxant activity (calcium channel blocking activity) was determined with potassium-depolarized rabbit thoracic aorta


J Med Chem 33: 2629-35 (1990)


Article DOI: 10.1021/jm00171a044
BindingDB Entry DOI: 10.7270/Q2XD13XV
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (Human))
BDBM13323
PNG
(1-Methyl-1H-imidazole-4-sulfonic Acid Benzyl-[6-cy...)
Show SMILES Cn1cnc(c1)S(=O)(=O)N(Cc1ccccc1)C1CN(Cc2cncn2C)c2ccc(cc2C1)C#N
Show InChI InChI=1/C26H27N7O2S/c1-30-17-26(29-19-30)36(34,35)33(14-20-6-4-3-5-7-20)23-11-22-10-21(12-27)8-9-25(22)32(15-23)16-24-13-28-18-31(24)2/h3-10,13,17-19,23H,11,14-16H2,1-2H3
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n/an/a 1.10n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human farnesyltransferase


Bioorg Med Chem Lett 15: 1895-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.004
BindingDB Entry DOI: 10.7270/Q2RB75CJ
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (Human))
BDBM50370480
PNG
(CHEMBL1169541)
Show SMILES Cn1cncc1CN1C[C@H](Cc2cc(ccc12)C#N)N(Cc1ccsc1)S(=O)(=O)c1ccccc1
Show InChI InChI=1/C26H25N5O2S2/c1-29-19-28-14-24(29)17-30-16-23(12-22-11-20(13-27)7-8-26(22)30)31(15-21-9-10-34-18-21)35(32,33)25-5-3-2-4-6-25/h2-11,14,18-19,23H,12,15-17H2,1H3/t23-/s2
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n/an/a 1.10n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human farnesyltransferase


Bioorg Med Chem Lett 15: 1895-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.004
BindingDB Entry DOI: 10.7270/Q2RB75CJ
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (Human))
BDBM50164012
PNG
(CHEMBL183217 | Pyridine-3-sulfonic acid [6-cyano-1...)
Show SMILES CC(=C)CN(C1CN(Cc2cncn2C)c2ccc(cc2C1)C#N)S(=O)(=O)c1cccnc1
Show InChI InChI=1/C24H26N6O2S/c1-18(2)14-30(33(31,32)23-5-4-8-26-13-23)21-10-20-9-19(11-25)6-7-24(20)29(15-21)16-22-12-27-17-28(22)3/h4-9,12-13,17,21H,1,10,14-16H2,2-3H3
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n/an/a 1.20n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human farnesyltransferase


Bioorg Med Chem Lett 15: 1895-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.004
BindingDB Entry DOI: 10.7270/Q2RB75CJ
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (Human))
BDBM50164016
PNG
(CHEMBL179598 | [[6-Cyano-1-(3-methyl-3H-imidazol-4...)
Show SMILES Cn1cncc1CN1CC(Cc2cc(ccc12)C#N)N(CC(=O)OC(C)(C)C)S(=O)(=O)c1ccccn1
Show InChI InChI=1/C26H30N6O4S/c1-26(2,3)36-25(33)17-32(37(34,35)24-7-5-6-10-29-24)21-12-20-11-19(13-27)8-9-23(20)31(15-21)16-22-14-28-18-30(22)4/h5-11,14,18,21H,12,15-17H2,1-4H3
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Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human farnesyltransferase


Bioorg Med Chem Lett 15: 1895-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.004
BindingDB Entry DOI: 10.7270/Q2RB75CJ
More data for this
Ligand-Target Pair
Voltage-gated L-type calcium channel


(Homo sapiens (Human))
BDBM50228791
PNG
(CHEMBL329897)
Show SMILES CCO\C(O)=C1\C(N(C(=O)OCC)C(=S)N=C1C)c1cccc(Cl)c1Cl
Show InChI InChI=1/C17H18Cl2N2O4S/c1-4-24-15(22)12-9(3)20-16(26)21(17(23)25-5-2)14(12)10-7-6-8-11(18)13(10)19/h6-8,14,22H,4-5H2,1-3H3/b15-12+
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Squibb Institute for Medical Research

Curated by ChEMBL


Assay Description
In vitro vasorelaxant activity (voltage-gated calcium channel blocking activity) was determined with potassium-depolarized rabbit thoracic aorta


J Med Chem 33: 2629-35 (1990)


Article DOI: 10.1021/jm00171a044
BindingDB Entry DOI: 10.7270/Q2XD13XV
More data for this
Ligand-Target Pair
Neutral Endopeptidase (NEP)


(Rattus norvegicus (Rat))
BDBM50282859
PNG
((2S,4S)-1-[(S)-2-((S)-2-Mercaptomethyl-3-phenyl-pr...)
Show SMILES C[C@H](NC(=O)[C@@H](CS)Cc1ccccc1)C(=O)N1C[C@H](C[C@H]1C(O)=O)Sc1ccccc1
Show InChI InChI=1S/C24H28N2O4S2/c1-16(25-22(27)18(15-31)12-17-8-4-2-5-9-17)23(28)26-14-20(13-21(26)24(29)30)32-19-10-6-3-7-11-19/h2-11,16,18,20-21,31H,12-15H2,1H3,(H,25,27)(H,29,30)/t16-,18+,20-,21-/m0/s1
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TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of rat kidney neutral endopeptidase (NEP) by fluorometric assay using Dansyl-Gly-Phe-Arg as substrate


Bioorg Med Chem Lett 4: 1783-1788 (1994)


Article DOI: 10.1016/S0960-894X(01)80371-1
BindingDB Entry DOI: 10.7270/Q2Z3204W
More data for this
Ligand-Target Pair
Voltage-gated L-type calcium channel


(Homo sapiens (Human))
BDBM50228797
PNG
(CHEMBL89260)
Show SMILES CCOC(=O)N1C(\C(=C(/O)OC(C)C)C(C)=NC1=S)c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1/C18H21N3O6S/c1-5-26-18(23)20-15(12-7-6-8-13(9-12)21(24)25)14(11(4)19-17(20)28)16(22)27-10(2)3/h6-10,15,22H,5H2,1-4H3/b16-14+
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Squibb Institute for Medical Research

Curated by ChEMBL


Assay Description
In vitro vasorelaxant activity (voltage-gated calcium channel blocking activity) was determined with potassium-depolarized rabbit thoracic aorta


J Med Chem 33: 2629-35 (1990)


Article DOI: 10.1021/jm00171a044
BindingDB Entry DOI: 10.7270/Q2XD13XV
More data for this
Ligand-Target Pair
Voltage-gated L-type calcium channel


(Homo sapiens (Human))
BDBM50228807
PNG
(CHEMBL2092901)
Show SMILES CCOC(=O)N1[C@@H](\C(=C(/O)OC(C)C)C(C)=NC1=S)c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1/C18H21N3O6S/c1-5-26-18(23)20-15(12-7-6-8-13(9-12)21(24)25)14(11(4)19-17(20)28)16(22)27-10(2)3/h6-10,15,22H,5H2,1-4H3/b16-14+/t15-/s2
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Squibb Institute for Medical Research

Curated by ChEMBL


Assay Description
In vitro vasorelaxant activity (calcium channel blocking activity) was determined with potassium-depolarized rabbit thoracic aorta


J Med Chem 33: 2629-35 (1990)


Article DOI: 10.1021/jm00171a044
BindingDB Entry DOI: 10.7270/Q2XD13XV
More data for this
Ligand-Target Pair
Voltage-gated potassium channel subunit Kv7.1


(Cavia porcellus)
BDBM50106179
PNG
(CHEMBL125327 | Enantiomer-4-(3-Butyl-[1,2,4]oxadia...)
Show SMILES CCCCc1noc(n1)-c1ccc(cc1)C(=O)NC[C@H]1CCCC1(C)C
Show InChI InChI=1S/C21H29N3O2/c1-4-5-8-18-23-20(26-24-18)16-11-9-15(10-12-16)19(25)22-14-17-7-6-13-21(17,2)3/h9-12,17H,4-8,13-14H2,1-3H3,(H,22,25)/t17-/m1/s1
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n/an/a 2n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Molar concentration required to inhibit 50% of the activating delayed-rectifier K+ current in isolated guinea pig ventricularmyocytes


J Med Chem 44: 3764-7 (2001)


Article DOI: 10.1021/jm015505u
BindingDB Entry DOI: 10.7270/Q2G1604C
More data for this
Ligand-Target Pair
Neutral Endopeptidase (NEP)


(Rattus norvegicus (Rat))
BDBM50282855
PNG
((S)-1-[(S)-2-((S)-2-Mercaptomethyl-3-phenyl-propio...)
Show SMILES CCC[C@H](NC(=O)[C@@H](CS)Cc1ccccc1)C(=O)N1CCC[C@H]1C(O)=O
Show InChI InChI=1S/C20H28N2O4S/c1-2-7-16(19(24)22-11-6-10-17(22)20(25)26)21-18(23)15(13-27)12-14-8-4-3-5-9-14/h3-5,8-9,15-17,27H,2,6-7,10-13H2,1H3,(H,21,23)(H,25,26)/t15-,16+,17+/m1/s1
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TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of rat kidney neutral endopeptidase (NEP) by fluorometric assay using Dansyl-Gly-Phe-Arg as substrate


Bioorg Med Chem Lett 4: 1783-1788 (1994)


Article DOI: 10.1016/S0960-894X(01)80371-1
BindingDB Entry DOI: 10.7270/Q2Z3204W
More data for this
Ligand-Target Pair
Neutral Endopeptidase (NEP)


(Rattus norvegicus (Rat))
BDBM50282848
PNG
(1-{2-[(S)-3-(2-Chloro-phenyl)-2-mercaptomethyl-pro...)
Show SMILES C[C@H](NC(=O)[C@@H](CS)Cc1ccccc1Cl)C(=O)N1CCC[C@@H]1C(O)=O
Show InChI InChI=1S/C18H23ClN2O4S/c1-11(17(23)21-8-4-7-15(21)18(24)25)20-16(22)13(10-26)9-12-5-2-3-6-14(12)19/h2-3,5-6,11,13,15,26H,4,7-10H2,1H3,(H,20,22)(H,24,25)/t11-,13+,15+/m0/s1
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TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of rat kidney neutral endopeptidase (NEP) by fluorometric assay using Dansyl-Gly-Phe-Arg as substrate


Bioorg Med Chem Lett 4: 1783-1788 (1994)


Article DOI: 10.1016/S0960-894X(01)80371-1
BindingDB Entry DOI: 10.7270/Q2Z3204W
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (Human))
BDBM50164026
PNG
(CHEMBL360917 | N-[6-Cyano-1-(3-methyl-3H-imidazol-...)
Show SMILES Cn1cncc1CN1CC(Cc2cc(ccc12)C#N)N(Cc1ccsc1)S(=O)(=O)c1ccccc1
Show InChI InChI=1/C26H25N5O2S2/c1-29-19-28-14-24(29)17-30-16-23(12-22-11-20(13-27)7-8-26(22)30)31(15-21-9-10-34-18-21)35(32,33)25-5-3-2-4-6-25/h2-11,14,18-19,23H,12,15-17H2,1H3
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Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human farnesyltransferase


Bioorg Med Chem Lett 15: 1895-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.004
BindingDB Entry DOI: 10.7270/Q2RB75CJ
More data for this
Ligand-Target Pair
Voltage-gated L-type calcium channel


(Homo sapiens (Human))
BDBM50228801
PNG
(CHEMBL89049)
Show SMILES CCOC(=O)N1C(C(C(=O)OC(C)C)=C(C)NC1=O)c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1/C18H21N3O7/c1-5-27-18(24)20-15(12-7-6-8-13(9-12)21(25)26)14(11(4)19-17(20)23)16(22)28-10(2)3/h6-10,15H,5H2,1-4H3,(H,19,23)
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Squibb Institute for Medical Research

Curated by ChEMBL


Assay Description
In vitro vasorelaxant activity (voltage-gated calcium channel blocking activity) was determined with potassium-depolarized rabbit thoracic aorta


J Med Chem 33: 2629-35 (1990)


Article DOI: 10.1021/jm00171a044
BindingDB Entry DOI: 10.7270/Q2XD13XV
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (Human))
BDBM50164022
PNG
(CHEMBL180411 | Pyridine-2-sulfonic acid benzyl-[6-...)
Show SMILES Cn1cncc1CN1CC(Cc2cc(ccc12)C#N)N(Cc1ccccc1)S(=O)(=O)c1ccccn1
Show InChI InChI=1/C27H26N6O2S/c1-31-20-29-16-25(31)19-32-18-24(14-23-13-22(15-28)10-11-26(23)32)33(17-21-7-3-2-4-8-21)36(34,35)27-9-5-6-12-30-27/h2-13,16,20,24H,14,17-19H2,1H3
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n/an/a 2.60n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human farnesyltransferase


Bioorg Med Chem Lett 15: 1895-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.004
BindingDB Entry DOI: 10.7270/Q2RB75CJ
More data for this
Ligand-Target Pair
Neutral Endopeptidase (NEP)


(Rattus norvegicus (Rat))
BDBM50282845
PNG
((S)-1-[(S)-2-((S)-2-Mercaptomethyl-3-phenyl-propio...)
Show SMILES C[C@H](NC(=O)[C@@H](CS)Cc1ccccc1)C(=O)N1[C@@H](Cc2ccccc12)C(O)=O
Show InChI InChI=1S/C22H24N2O4S/c1-14(23-20(25)17(13-29)11-15-7-3-2-4-8-15)21(26)24-18-10-6-5-9-16(18)12-19(24)22(27)28/h2-10,14,17,19,29H,11-13H2,1H3,(H,23,25)(H,27,28)/t14-,17+,19-/m0/s1
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TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of rat kidney neutral endopeptidase (NEP) by fluorometric assay using Dansyl-Gly-Phe-Arg as substrate


Bioorg Med Chem Lett 4: 1783-1788 (1994)


Article DOI: 10.1016/S0960-894X(01)80371-1
BindingDB Entry DOI: 10.7270/Q2Z3204W
More data for this
Ligand-Target Pair
Voltage-gated L-type calcium channel


(Homo sapiens (Human))
BDBM50228811
PNG
(CHEMBL84906)
Show SMILES CCO\C(O)=C1\C(N(C(=O)OCC)C(=S)N=C1C)c1cccc(c1Cl)[N+]([O-])=O
Show InChI InChI=1/C17H18ClN3O6S/c1-4-26-15(22)12-9(3)19-16(28)20(17(23)27-5-2)14(12)10-7-6-8-11(13(10)18)21(24)25/h6-8,14,22H,4-5H2,1-3H3/b15-12+
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Squibb Institute for Medical Research

Curated by ChEMBL


Assay Description
In vitro vasorelaxant activity (voltage-gated calcium channel blocking activity) was determined with potassium-depolarized rabbit thoracic aorta


J Med Chem 33: 2629-35 (1990)


Article DOI: 10.1021/jm00171a044
BindingDB Entry DOI: 10.7270/Q2XD13XV
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (Human))
BDBM50370479
PNG
(CHEMBL1201849)
Show SMILES Cn1cncc1CN1C[C@@H](Cc2cc(ccc12)C#N)N(Cc1ccsc1)S(=O)(=O)c1ccccc1
Show InChI InChI=1/C26H25N5O2S2/c1-29-19-28-14-24(29)17-30-16-23(12-22-11-20(13-27)7-8-26(22)30)31(15-21-9-10-34-18-21)35(32,33)25-5-3-2-4-6-25/h2-11,14,18-19,23H,12,15-17H2,1H3/t23-/s2
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Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human farnesyltransferase


Bioorg Med Chem Lett 15: 1895-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.004
BindingDB Entry DOI: 10.7270/Q2RB75CJ
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (Human))
BDBM50164019
PNG
(CHEMBL360557 | N-Benzyl-N-[6-cyano-1-(3-methyl-3H-...)
Show SMILES Cn1cncc1CN1CC(Cc2cc(ccc12)C#N)N(Cc1ccccc1)S(C)(=O)=O
Show InChI InChI=1/C23H25N5O2S/c1-26-17-25-13-22(26)16-27-15-21(11-20-10-19(12-24)8-9-23(20)27)28(31(2,29)30)14-18-6-4-3-5-7-18/h3-10,13,17,21H,11,14-16H2,1-2H3
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Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human farnesyltransferase


Bioorg Med Chem Lett 15: 1895-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.004
BindingDB Entry DOI: 10.7270/Q2RB75CJ
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (Human))
BDBM50164020
PNG
(CHEMBL180710 | N-Benzyl-N-[6-cyano-1-(3-methyl-3H-...)
Show SMILES Cn1cncc1CN1CC(Cc2cc(ccc12)C#N)N(Cc1ccccc1)S(=O)(=O)c1ccccc1
Show InChI InChI=1/C28H27N5O2S/c1-31-21-30-17-26(31)20-32-19-25(15-24-14-23(16-29)12-13-28(24)32)33(18-22-8-4-2-5-9-22)36(34,35)27-10-6-3-7-11-27/h2-14,17,21,25H,15,18-20H2,1H3
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Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human farnesyltransferase


Bioorg Med Chem Lett 15: 1895-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.004
BindingDB Entry DOI: 10.7270/Q2RB75CJ
More data for this
Ligand-Target Pair
Voltage-gated L-type calcium channel


(Homo sapiens (Human))
BDBM50228808
PNG
(CHEMBL86415)
Show SMILES CCO\C(O)=C1\C(N(C(=O)OCC)C(=S)N=C1C)c1ccccc1[N+]([O-])=O
Show InChI InChI=1/C17H19N3O6S/c1-4-25-15(21)13-10(3)18-16(27)19(17(22)26-5-2)14(13)11-8-6-7-9-12(11)20(23)24/h6-9,14,21H,4-5H2,1-3H3/b15-13+
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Squibb Institute for Medical Research

Curated by ChEMBL


Assay Description
In vitro vasorelaxant activity (voltage-gated calcium channel blocking activity) was determined with potassium-depolarized rabbit thoracic aorta


J Med Chem 33: 2629-35 (1990)


Article DOI: 10.1021/jm00171a044
BindingDB Entry DOI: 10.7270/Q2XD13XV
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (Human))
BDBM50164011
PNG
(CHEMBL183481 | Pyridine-2-sulfonic acid [6-cyano-1...)
Show SMILES CN(C1CN(Cc2cncn2C)c2ccc(cc2C1)C#N)S(=O)(=O)c1ccccn1
Show InChI InChI=1/C21H22N6O2S/c1-25-15-23-12-19(25)14-27-13-18(10-17-9-16(11-22)6-7-20(17)27)26(2)30(28,29)21-5-3-4-8-24-21/h3-9,12,15,18H,10,13-14H2,1-2H3
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Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human farnesyltransferase


Bioorg Med Chem Lett 15: 1895-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.004
BindingDB Entry DOI: 10.7270/Q2RB75CJ
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (Human))
BDBM50164024
PNG
(CHEMBL183804 | N-[6-Cyano-1-(3-methyl-3H-imidazol-...)
Show SMILES CN(C1CN(Cc2cncn2C)c2ccc(cc2C1)C#N)S(=O)(=O)c1ccccc1
Show InChI InChI=1/C22H23N5O2S/c1-25-16-24-13-20(25)15-27-14-19(11-18-10-17(12-23)8-9-22(18)27)26(2)30(28,29)21-6-4-3-5-7-21/h3-10,13,16,19H,11,14-15H2,1-2H3
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n/an/a 3.5n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human farnesyltransferase


Bioorg Med Chem Lett 15: 1895-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.004
BindingDB Entry DOI: 10.7270/Q2RB75CJ
More data for this
Ligand-Target Pair
Voltage-gated L-type calcium channel


(Homo sapiens (Human))
BDBM50228810
PNG
(CHEMBL89904)
Show SMILES CCO\C(O)=C1\C(N(C(=O)OC)C(=S)N=C1C)c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1/C16H17N3O6S/c1-4-25-14(20)12-9(2)17-15(26)18(16(21)24-3)13(12)10-6-5-7-11(8-10)19(22)23/h5-8,13,20H,4H2,1-3H3/b14-12+
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n/an/a 3.60n/an/an/an/an/an/a



Squibb Institute for Medical Research

Curated by ChEMBL


Assay Description
In vitro vasorelaxant activity (voltage-gated calcium channel blocking activity) was determined with potassium-depolarized rabbit thoracic aorta


J Med Chem 33: 2629-35 (1990)


Article DOI: 10.1021/jm00171a044
BindingDB Entry DOI: 10.7270/Q2XD13XV
More data for this
Ligand-Target Pair
Neutral Endopeptidase (NEP)


(Rattus norvegicus (Rat))
BDBM50282851
PNG
((S)-2-[(S)-2-((S)-2-Mercaptomethyl-3-phenyl-propio...)
Show SMILES C[C@H](NC(=O)[C@@H](CS)Cc1ccccc1)C(=O)N1Cc2ccccc2C[C@H]1C(O)=O
Show InChI InChI=1S/C23H26N2O4S/c1-15(24-21(26)19(14-30)11-16-7-3-2-4-8-16)22(27)25-13-18-10-6-5-9-17(18)12-20(25)23(28)29/h2-10,15,19-20,30H,11-14H2,1H3,(H,24,26)(H,28,29)/t15-,19+,20-/m0/s1
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n/an/a 3.90n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of rat kidney neutral endopeptidase (NEP) by fluorometric assay using Dansyl-Gly-Phe-Arg as substrate


Bioorg Med Chem Lett 4: 1783-1788 (1994)


Article DOI: 10.1016/S0960-894X(01)80371-1
BindingDB Entry DOI: 10.7270/Q2Z3204W
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (Human))
BDBM50164004
PNG
(CHEMBL183590 | [[6-Cyano-1-(3-methyl-3H-imidazol-4...)
Show SMILES Cn1cncc1CN1CC(Cc2cc(ccc12)C#N)N(CC(=O)OC(C)(C)C)S(=O)(=O)c1cccnc1
Show InChI InChI=1/C26H30N6O4S/c1-26(2,3)36-25(33)17-32(37(34,35)23-6-5-9-28-14-23)21-11-20-10-19(12-27)7-8-24(20)31(15-21)16-22-13-29-18-30(22)4/h5-10,13-14,18,21H,11,15-17H2,1-4H3
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n/an/a 3.90n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human farnesyltransferase


Bioorg Med Chem Lett 15: 1895-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.004
BindingDB Entry DOI: 10.7270/Q2RB75CJ
More data for this
Ligand-Target Pair
Voltage-gated L-type calcium channel


(Homo sapiens (Human))
BDBM50227246
PNG
(CHEMBL3392282)
Show SMILES CCOC(=O)C1=C(C)NC(SCC)=C(C1c1cccc(c1)[N+]([O-])=O)C(=O)OCC
Show InChI InChI=1/C20H24N2O6S/c1-5-27-19(23)15-12(4)21-18(29-7-3)17(20(24)28-6-2)16(15)13-9-8-10-14(11-13)22(25)26/h8-11,16,21H,5-7H2,1-4H3
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n/an/a 4n/an/an/an/an/an/a



Squibb Institute for Medical Research

Curated by ChEMBL


Assay Description
In vitro vasorelaxant activity (calcium channel blocking activity) was determined with potassium-depolarized rabbit thoracic aorta


J Med Chem 33: 2629-35 (1990)


Article DOI: 10.1021/jm00171a044
BindingDB Entry DOI: 10.7270/Q2XD13XV
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)
BDBM50282861
PNG
((S)-1-[(S)-2-((S)-2-Mercaptomethyl-3-phenyl-propio...)
Show SMILES C[C@H](NC(=O)[C@@H](CS)Cc1ccccc1)C(=O)N1CCC[C@H]1C(O)=O
Show InChI InChI=1S/C18H24N2O4S/c1-12(17(22)20-9-5-8-15(20)18(23)24)19-16(21)14(11-25)10-13-6-3-2-4-7-13/h2-4,6-7,12,14-15,25H,5,8-11H2,1H3,(H,19,21)(H,23,24)/t12-,14+,15-/m0/s1
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n/an/a 4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of rabbit lung Angiotensin I converting enzyme (ACE) using Hippuryl-His-Leu as substrate


Bioorg Med Chem Lett 4: 1783-1788 (1994)


Article DOI: 10.1016/S0960-894X(01)80371-1
BindingDB Entry DOI: 10.7270/Q2Z3204W
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (Human))
BDBM50164010
PNG
(CHEMBL182351 | {Benzenesulfonyl-[6-cyano-1-(3-meth...)
Show SMILES Cn1cncc1CN1CC(Cc2cc(ccc12)C#N)N(CC(=O)OC(C)(C)C)S(=O)(=O)c1ccccc1
Show InChI InChI=1/C27H31N5O4S/c1-27(2,3)36-26(33)18-32(37(34,35)24-8-6-5-7-9-24)22-13-21-12-20(14-28)10-11-25(21)31(16-22)17-23-15-29-19-30(23)4/h5-12,15,19,22H,13,16-18H2,1-4H3
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n/an/a 4n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human farnesyltransferase


Bioorg Med Chem Lett 15: 1895-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.004
BindingDB Entry DOI: 10.7270/Q2RB75CJ
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (Human))
BDBM50164018
PNG
(1-Methyl-1H-pyrazole-4-sulfonic acid benzyl-[6-cya...)
Show SMILES Cn1cc(cn1)S(=O)(=O)N(Cc1ccccc1)C1CN(Cc2cncn2C)c2ccc(cc2C1)C#N
Show InChI InChI=1/C26H27N7O2S/c1-30-19-28-13-24(30)17-32-16-23(11-22-10-21(12-27)8-9-26(22)32)33(15-20-6-4-3-5-7-20)36(34,35)25-14-29-31(2)18-25/h3-10,13-14,18-19,23H,11,15-17H2,1-2H3
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n/an/a 4.60n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human farnesyltransferase


Bioorg Med Chem Lett 15: 1895-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.004
BindingDB Entry DOI: 10.7270/Q2RB75CJ
More data for this
Ligand-Target Pair
Voltage-gated L-type calcium channel


(Homo sapiens (Human))
BDBM50228804
PNG
(CHEMBL89175)
Show SMILES CCOC(=O)C1=C(C)N=C(S)N(C1c1cccc(c1)[N+]([O-])=O)S(=O)(=O)c1ccccc1
Show InChI InChI=1/C20H19N3O6S2/c1-3-29-19(24)17-13(2)21-20(30)22(31(27,28)16-10-5-4-6-11-16)18(17)14-8-7-9-15(12-14)23(25)26/h4-12,18H,3H2,1-2H3,(H,21,30)
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n/an/a 5.20n/an/an/an/an/an/a



Squibb Institute for Medical Research

Curated by ChEMBL


Assay Description
In vitro vasorelaxant activity (voltage-gated calcium channel blocking activity) was determined with potassium-depolarized rabbit thoracic aorta


J Med Chem 33: 2629-35 (1990)


Article DOI: 10.1021/jm00171a044
BindingDB Entry DOI: 10.7270/Q2XD13XV
More data for this
Ligand-Target Pair
Neutral Endopeptidase (NEP)


(Rattus norvegicus (Rat))
BDBM50024101
PNG
((S)-2-((S)-2-Mercaptomethyl-3-phenyl-propionylamin...)
Show SMILES C[C@H](NC(=O)[C@@H](CS)Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C13H17NO3S/c1-9(13(16)17)14-12(15)11(8-18)7-10-5-3-2-4-6-10/h2-6,9,11,18H,7-8H2,1H3,(H,14,15)(H,16,17)/t9-,11+/m0/s1
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n/an/a 5.70n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of rat kidney neutral endopeptidase (NEP) by fluorometric assay using Dansyl-Gly-Phe-Arg as substrate


Bioorg Med Chem Lett 4: 1783-1788 (1994)


Article DOI: 10.1016/S0960-894X(01)80371-1
BindingDB Entry DOI: 10.7270/Q2Z3204W
More data for this
Ligand-Target Pair
Neutral Endopeptidase (NEP)


(Rattus norvegicus (Rat))
BDBM50282852
PNG
(1-[2-((S)-2-Mercaptomethyl-3-o-tolyl-propionylamin...)
Show SMILES C[C@H](NC(=O)[C@@H](CS)Cc1ccccc1C)C(=O)N1CCC[C@@H]1C(O)=O
Show InChI InChI=1S/C19H26N2O4S/c1-12-6-3-4-7-14(12)10-15(11-26)17(22)20-13(2)18(23)21-9-5-8-16(21)19(24)25/h3-4,6-7,13,15-16,26H,5,8-11H2,1-2H3,(H,20,22)(H,24,25)/t13-,15+,16+/m0/s1
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n/an/a 6.20n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of rat kidney neutral endopeptidase (NEP) by fluorometric assay using Dansyl-Gly-Phe-Arg as substrate


Bioorg Med Chem Lett 4: 1783-1788 (1994)


Article DOI: 10.1016/S0960-894X(01)80371-1
BindingDB Entry DOI: 10.7270/Q2Z3204W
More data for this
Ligand-Target Pair
Neutral Endopeptidase (NEP)


(Rattus norvegicus (Rat))
BDBM50282861
PNG
((S)-1-[(S)-2-((S)-2-Mercaptomethyl-3-phenyl-propio...)
Show SMILES C[C@H](NC(=O)[C@@H](CS)Cc1ccccc1)C(=O)N1CCC[C@H]1C(O)=O
Show InChI InChI=1S/C18H24N2O4S/c1-12(17(22)20-9-5-8-15(20)18(23)24)19-16(21)14(11-25)10-13-6-3-2-4-7-13/h2-4,6-7,12,14-15,25H,5,8-11H2,1H3,(H,19,21)(H,23,24)/t12-,14+,15-/m0/s1
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TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of rat kidney neutral endopeptidase (NEP) by fluorometric assay using Dansyl-Gly-Phe-Arg as substrate


Bioorg Med Chem Lett 4: 1783-1788 (1994)


Article DOI: 10.1016/S0960-894X(01)80371-1
BindingDB Entry DOI: 10.7270/Q2Z3204W
More data for this
Ligand-Target Pair
Neutral Endopeptidase (NEP)


(Rattus norvegicus (Rat))
BDBM50282847
PNG
((2S,4S)-4-Cyclohexyl-1-[(S)-2-((S)-2-mercaptomethy...)
Show SMILES C[C@H](NC(=O)[C@@H](CS)Cc1ccccc1)C(=O)N1C[C@@H](C[C@H]1C(O)=O)C1CCCCC1
Show InChI InChI=1S/C24H34N2O4S/c1-16(25-22(27)20(15-31)12-17-8-4-2-5-9-17)23(28)26-14-19(13-21(26)24(29)30)18-10-6-3-7-11-18/h2,4-5,8-9,16,18-21,31H,3,6-7,10-15H2,1H3,(H,25,27)(H,29,30)/t16-,19+,20+,21-/m0/s1
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n/an/a 6.60n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of rat kidney neutral endopeptidase (NEP) by fluorometric assay using Dansyl-Gly-Phe-Arg as substrate


Bioorg Med Chem Lett 4: 1783-1788 (1994)


Article DOI: 10.1016/S0960-894X(01)80371-1
BindingDB Entry DOI: 10.7270/Q2Z3204W
More data for this
Ligand-Target Pair
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