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Compile Data Set for Download or QSAR

Found 89 hits with Last Name = 'weller' and Initial = 'hn'   
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
Type-1 angiotensin II receptor A/B


(RAT)
BDBM50231010
PNG
(CHEMBL312066)
Show SMILES CCCCc1c(Oc2ccc(cc2)-c2ccccc2-c2nn[nH]n2)nc2c(C(O)=O)c(OCC)ccc2[n+]1[O-]
Show InChI InChI=1S/C28H26N6O5/c1-3-5-10-22-27(29-25-21(34(22)37)15-16-23(38-4-2)24(25)28(35)36)39-18-13-11-17(12-14-18)19-8-6-7-9-20(19)26-30-32-33-31-26/h6-9,11-16H,3-5,10H2,1-2H3,(H,35,36)(H,30,31,32,33)
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0.400n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity of compound in presence of bovine serum albumin (BSA) at 0% against rat adrenal Angiotensin II receptor, type 1


J Med Chem 36: 2335-42 (1993)


Article DOI: 10.1021/jm00068a010
BindingDB Entry DOI: 10.7270/Q21V5H6B
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor A/B


(RAT)
BDBM50231010
PNG
(CHEMBL312066)
Show SMILES CCCCc1c(Oc2ccc(cc2)-c2ccccc2-c2nn[nH]n2)nc2c(C(O)=O)c(OCC)ccc2[n+]1[O-]
Show InChI InChI=1S/C28H26N6O5/c1-3-5-10-22-27(29-25-21(34(22)37)15-16-23(38-4-2)24(25)28(35)36)39-18-13-11-17(12-14-18)19-8-6-7-9-20(19)26-30-32-33-31-26/h6-9,11-16H,3-5,10H2,1-2H3,(H,35,36)(H,30,31,32,33)
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1.30n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity of compound in presence of bovine serum albumin (BSA) at 0.01% against rat adrenal Angiotensin II receptor, type 1


J Med Chem 36: 2335-42 (1993)


Article DOI: 10.1021/jm00068a010
BindingDB Entry DOI: 10.7270/Q21V5H6B
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor A/B


(RAT)
BDBM50231010
PNG
(CHEMBL312066)
Show SMILES CCCCc1c(Oc2ccc(cc2)-c2ccccc2-c2nn[nH]n2)nc2c(C(O)=O)c(OCC)ccc2[n+]1[O-]
Show InChI InChI=1S/C28H26N6O5/c1-3-5-10-22-27(29-25-21(34(22)37)15-16-23(38-4-2)24(25)28(35)36)39-18-13-11-17(12-14-18)19-8-6-7-9-20(19)26-30-32-33-31-26/h6-9,11-16H,3-5,10H2,1-2H3,(H,35,36)(H,30,31,32,33)
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1.30n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity for Angiotensin II receptor, type 1 in rat adrenal cortical membranes using [125I]Sar1, Ile8-angiotensin II


J Med Chem 36: 2335-42 (1993)


Article DOI: 10.1021/jm00068a010
BindingDB Entry DOI: 10.7270/Q21V5H6B
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor A/B


(RAT)
BDBM50231140
PNG
(CHEMBL77029)
Show SMILES CCCCc1nc2ccccc2[n+]([O-])c1Oc1ccc(cc1)-c1ccccc1-c1nn[nH]n1
Show InChI InChI=1S/C25H22N6O2/c1-2-3-10-22-25(31(32)23-12-7-6-11-21(23)26-22)33-18-15-13-17(14-16-18)19-8-4-5-9-20(19)24-27-29-30-28-24/h4-9,11-16H,2-3,10H2,1H3,(H,27,28,29,30)
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4.5n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity for Angiotensin II receptor, type 1 in rat adrenal cortical membranes using [125I]Sar1, Ile8-angiotensin II


J Med Chem 36: 2335-42 (1993)


Article DOI: 10.1021/jm00068a010
BindingDB Entry DOI: 10.7270/Q21V5H6B
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor A/B


(RAT)
BDBM50231145
PNG
(CHEMBL76785)
Show SMILES CCCCc1nc2cccc(C(O)=O)c2nc1Oc1ccc(cc1)-c1ccccc1-c1nn[nH]n1
Show InChI InChI=1S/C26H22N6O3/c1-2-3-10-22-25(28-23-20(26(33)34)9-6-11-21(23)27-22)35-17-14-12-16(13-15-17)18-7-4-5-8-19(18)24-29-31-32-30-24/h4-9,11-15H,2-3,10H2,1H3,(H,33,34)(H,29,30,31,32)
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5.5n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity of compound in presence of bovine serum albumin (BSA) at 0% against rat Angiotensin II receptor, type 1


J Med Chem 36: 2335-42 (1993)


Article DOI: 10.1021/jm00068a010
BindingDB Entry DOI: 10.7270/Q21V5H6B
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor A/B


(RAT)
BDBM50231150
PNG
(CHEMBL77935)
Show SMILES CCCCc1c(Oc2ccc(cc2)-c2ccccc2-c2nn[nH]n2)nc2c(C(O)=O)c(N)ccc2[n+]1[O-]
Show InChI InChI=1S/C26H23N7O4/c1-2-3-8-21-25(28-23-20(33(21)36)14-13-19(27)22(23)26(34)35)37-16-11-9-15(10-12-16)17-6-4-5-7-18(17)24-29-31-32-30-24/h4-7,9-14H,2-3,8,27H2,1H3,(H,34,35)(H,29,30,31,32)
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7.40n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity for Angiotensin II receptor, type 1 in rat adrenal cortical membranes using [125I]Sar1, Ile8-angiotensin II


J Med Chem 36: 2335-42 (1993)


Article DOI: 10.1021/jm00068a010
BindingDB Entry DOI: 10.7270/Q21V5H6B
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor A/B


(RAT)
BDBM50231139
PNG
(CHEMBL77827)
Show SMILES CCCCc1c(Oc2ccc(cc2)-c2ccccc2-c2nn[nH]n2)nc2c(C(O)=O)c(F)ccc2[n+]1[O-]
Show InChI InChI=1S/C26H21FN6O4/c1-2-3-8-21-25(28-23-20(33(21)36)14-13-19(27)22(23)26(34)35)37-16-11-9-15(10-12-16)17-6-4-5-7-18(17)24-29-31-32-30-24/h4-7,9-14H,2-3,8H2,1H3,(H,34,35)(H,29,30,31,32)
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9n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity for Angiotensin II receptor, type 1 in rat adrenal cortical membranes using [125I]Sar1, Ile8-angiotensin II


J Med Chem 36: 2335-42 (1993)


Article DOI: 10.1021/jm00068a010
BindingDB Entry DOI: 10.7270/Q21V5H6B
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor A/B


(RAT)
BDBM50231149
PNG
(CHEMBL306278)
Show SMILES CCCCc1c(Oc2ccc(cc2)-c2ccccc2-c2nn[nH]n2)nc2c(cccc2[n+]1[O-])C(O)=O
Show InChI InChI=1S/C26H22N6O4/c1-2-3-10-22-25(27-23-20(26(33)34)9-6-11-21(23)32(22)35)36-17-14-12-16(13-15-17)18-7-4-5-8-19(18)24-28-30-31-29-24/h4-9,11-15H,2-3,10H2,1H3,(H,33,34)(H,28,29,30,31)
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15n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity for Angiotensin II receptor, type 1 in rat adrenal cortical membranes using [125I]Sar1, Ile8-angiotensin II


J Med Chem 36: 2335-42 (1993)


Article DOI: 10.1021/jm00068a010
BindingDB Entry DOI: 10.7270/Q21V5H6B
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor A/B


(RAT)
BDBM50231143
PNG
(CHEMBL75053)
Show SMILES CCCCc1c(Oc2ccc(cc2)-c2ccccc2-c2nn[nH]n2)nc2c(C(O)=O)c(OC)ccc2[n+]1[O-]
Show InChI InChI=1S/C27H24N6O5/c1-3-4-9-21-26(28-24-20(33(21)36)14-15-22(37-2)23(24)27(34)35)38-17-12-10-16(11-13-17)18-7-5-6-8-19(18)25-29-31-32-30-25/h5-8,10-15H,3-4,9H2,1-2H3,(H,34,35)(H,29,30,31,32)
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17n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity for Angiotensin II receptor, type 1 in rat adrenal cortical membranes using [125I]Sar1, Ile8-angiotensin II


J Med Chem 36: 2335-42 (1993)


Article DOI: 10.1021/jm00068a010
BindingDB Entry DOI: 10.7270/Q21V5H6B
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor A/B


(RAT)
BDBM50231007
PNG
(CHEMBL74445)
Show SMILES CCCCc1nc2ccc(F)c(C(O)=O)c2nc1Oc1ccc(cc1)-c1ccccc1-c1nn[nH]n1
Show InChI InChI=1S/C26H21FN6O3/c1-2-3-8-21-25(29-23-20(28-21)14-13-19(27)22(23)26(34)35)36-16-11-9-15(10-12-16)17-6-4-5-7-18(17)24-30-32-33-31-24/h4-7,9-14H,2-3,8H2,1H3,(H,34,35)(H,30,31,32,33)
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21n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity for Angiotensin II receptor, type 1 in rat adrenal cortical membranes using [125I]Sar1, Ile8-angiotensin II


J Med Chem 36: 2335-42 (1993)


Article DOI: 10.1021/jm00068a010
BindingDB Entry DOI: 10.7270/Q21V5H6B
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor A/B


(RAT)
BDBM50231142
PNG
(CHEMBL312068)
Show SMILES CCCCc1c(Oc2ccc(cc2)-c2ccccc2-c2nn[nH]n2)nc2c(C(O)=O)c(OCC(F)(F)F)ccc2[n+]1[O-]
Show InChI InChI=1S/C28H23F3N6O5/c1-2-3-8-21-26(32-24-20(37(21)40)13-14-22(23(24)27(38)39)41-15-28(29,30)31)42-17-11-9-16(10-12-17)18-6-4-5-7-19(18)25-33-35-36-34-25/h4-7,9-14H,2-3,8,15H2,1H3,(H,38,39)(H,33,34,35,36)
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22n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity for Angiotensin II receptor, type 1 in rat adrenal cortical membranes using [125I]Sar1, Ile8-angiotensin II


J Med Chem 36: 2335-42 (1993)


Article DOI: 10.1021/jm00068a010
BindingDB Entry DOI: 10.7270/Q21V5H6B
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor A/B


(RAT)
BDBM50231148
PNG
(CHEMBL77376)
Show SMILES CCCCc1c(Oc2ccc(cc2)-c2ccccc2-c2nn[nH]n2)nc2c(C(O)=O)c(OC(C)C)ccc2[n+]1[O-]
Show InChI InChI=1S/C29H28N6O5/c1-4-5-10-23-28(30-26-22(35(23)38)15-16-24(39-17(2)3)25(26)29(36)37)40-19-13-11-18(12-14-19)20-8-6-7-9-21(20)27-31-33-34-32-27/h6-9,11-17H,4-5,10H2,1-3H3,(H,36,37)(H,31,32,33,34)
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28n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity for Angiotensin II receptor, type 1 in rat adrenal cortical membranes using [125I]Sar1, Ile8-angiotensin II


J Med Chem 36: 2335-42 (1993)


Article DOI: 10.1021/jm00068a010
BindingDB Entry DOI: 10.7270/Q21V5H6B
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor A/B


(RAT)
BDBM50231011
PNG
(CHEMBL309489)
Show SMILES CCCCc1nc2ccc(OCC)c(C(O)=O)c2nc1Oc1ccc(cc1)-c1ccccc1-c1nn[nH]n1
Show InChI InChI=1S/C28H26N6O4/c1-3-5-10-22-27(30-25-21(29-22)15-16-23(37-4-2)24(25)28(35)36)38-18-13-11-17(12-14-18)19-8-6-7-9-20(19)26-31-33-34-32-26/h6-9,11-16H,3-5,10H2,1-2H3,(H,35,36)(H,31,32,33,34)
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44n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity for Angiotensin II receptor, type 1 in rat adrenal cortical membranes using [125I]Sar1, Ile8-angiotensin II


J Med Chem 36: 2335-42 (1993)


Article DOI: 10.1021/jm00068a010
BindingDB Entry DOI: 10.7270/Q21V5H6B
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor A/B


(RAT)
BDBM50231145
PNG
(CHEMBL76785)
Show SMILES CCCCc1nc2cccc(C(O)=O)c2nc1Oc1ccc(cc1)-c1ccccc1-c1nn[nH]n1
Show InChI InChI=1S/C26H22N6O3/c1-2-3-10-22-25(28-23-20(26(33)34)9-6-11-21(23)27-22)35-17-14-12-16(13-15-17)18-7-4-5-8-19(18)24-29-31-32-30-24/h4-9,11-15H,2-3,10H2,1H3,(H,33,34)(H,29,30,31,32)
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46n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity of compound in presence of bovine serum albumin (BSA) at 0.01% against rat Angiotensin II receptor, type 1


J Med Chem 36: 2335-42 (1993)


Article DOI: 10.1021/jm00068a010
BindingDB Entry DOI: 10.7270/Q21V5H6B
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor A/B


(RAT)
BDBM50231145
PNG
(CHEMBL76785)
Show SMILES CCCCc1nc2cccc(C(O)=O)c2nc1Oc1ccc(cc1)-c1ccccc1-c1nn[nH]n1
Show InChI InChI=1S/C26H22N6O3/c1-2-3-10-22-25(28-23-20(26(33)34)9-6-11-21(23)27-22)35-17-14-12-16(13-15-17)18-7-4-5-8-19(18)24-29-31-32-30-24/h4-9,11-15H,2-3,10H2,1H3,(H,33,34)(H,29,30,31,32)
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46n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity for Angiotensin II receptor, type 1 in rat adrenal cortical membranes using [125I]Sar1, Ile8-angiotensin II


J Med Chem 36: 2335-42 (1993)


Article DOI: 10.1021/jm00068a010
BindingDB Entry DOI: 10.7270/Q21V5H6B
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor A/B


(RAT)
BDBM50231009
PNG
(CHEMBL76765)
Show SMILES CCCCOc1ccc2[n+]([O-])c(CCCC)c(Oc3ccc(cc3)-c3ccccc3-c3nn[nH]n3)nc2c1C(O)=O
Show InChI InChI=1S/C30H30N6O5/c1-3-5-11-24-29(31-27-23(36(24)39)16-17-25(26(27)30(37)38)40-18-6-4-2)41-20-14-12-19(13-15-20)21-9-7-8-10-22(21)28-32-34-35-33-28/h7-10,12-17H,3-6,11,18H2,1-2H3,(H,37,38)(H,32,33,34,35)
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50n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity for Angiotensin II receptor, type 1 in rat adrenal cortical membranes using [125I]Sar1, Ile8-angiotensin II


J Med Chem 36: 2335-42 (1993)


Article DOI: 10.1021/jm00068a010
BindingDB Entry DOI: 10.7270/Q21V5H6B
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor A/B


(RAT)
BDBM50231147
PNG
(CHEMBL433310)
Show SMILES CCCCc1c(Oc2ccc(cc2)-c2ccccc2-c2nn[nH]n2)nc2c(C(O)=O)c(OCCC)ccc2[n+]1[O-]
Show InChI InChI=1S/C29H28N6O5/c1-3-5-10-23-28(30-26-22(35(23)38)15-16-24(39-17-4-2)25(26)29(36)37)40-19-13-11-18(12-14-19)20-8-6-7-9-21(20)27-31-33-34-32-27/h6-9,11-16H,3-5,10,17H2,1-2H3,(H,36,37)(H,31,32,33,34)
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68n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity for Angiotensin II receptor, type 1 in rat adrenal cortical membranes using [125I]Sar1, Ile8-angiotensin II


J Med Chem 36: 2335-42 (1993)


Article DOI: 10.1021/jm00068a010
BindingDB Entry DOI: 10.7270/Q21V5H6B
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor A/B


(RAT)
BDBM50231008
PNG
(CHEMBL75101)
Show SMILES CCCCc1c(Oc2ccc(cc2)-c2ccccc2-c2nn[nH]n2)nc2ccccc2[n+]1[O-]
Show InChI InChI=1S/C25H22N6O2/c1-2-3-11-23-25(26-21-10-6-7-12-22(21)31(23)32)33-18-15-13-17(14-16-18)19-8-4-5-9-20(19)24-27-29-30-28-24/h4-10,12-16H,2-3,11H2,1H3,(H,27,28,29,30)
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71n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity of compound in presence of bovine serum albumin (BSA) at 0.01% against rat adrenal Angiotensin II receptor, type 1


J Med Chem 36: 2335-42 (1993)


Article DOI: 10.1021/jm00068a010
BindingDB Entry DOI: 10.7270/Q21V5H6B
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor A/B


(RAT)
BDBM50231008
PNG
(CHEMBL75101)
Show SMILES CCCCc1c(Oc2ccc(cc2)-c2ccccc2-c2nn[nH]n2)nc2ccccc2[n+]1[O-]
Show InChI InChI=1S/C25H22N6O2/c1-2-3-11-23-25(26-21-10-6-7-12-22(21)31(23)32)33-18-15-13-17(14-16-18)19-8-4-5-9-20(19)24-27-29-30-28-24/h4-10,12-16H,2-3,11H2,1H3,(H,27,28,29,30)
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71n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity for Angiotensin II receptor, type 1 in rat adrenal cortical membranes using [125I]Sar1, Ile8-angiotensin II


J Med Chem 36: 2335-42 (1993)


Article DOI: 10.1021/jm00068a010
BindingDB Entry DOI: 10.7270/Q21V5H6B
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor A/B


(RAT)
BDBM50231144
PNG
(CHEMBL76943)
Show SMILES CCCCc1nc2ccccc2nc1Oc1ccc(cc1)-c1ccccc1-c1nn[nH]n1
Show InChI InChI=1S/C25H22N6O/c1-2-3-10-23-25(27-22-12-7-6-11-21(22)26-23)32-18-15-13-17(14-16-18)19-8-4-5-9-20(19)24-28-30-31-29-24/h4-9,11-16H,2-3,10H2,1H3,(H,28,29,30,31)
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137n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity for Angiotensin II receptor, type 1 in rat adrenal cortical membranes using [125I]Sar1, Ile8-angiotensin II


J Med Chem 36: 2335-42 (1993)


Article DOI: 10.1021/jm00068a010
BindingDB Entry DOI: 10.7270/Q21V5H6B
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor A/B


(RAT)
BDBM50231141
PNG
(CHEMBL77266)
Show SMILES CCCc1nc2cccc(C(O)=O)c2nc1Oc1ccc(cc1)-c1ccccc1-c1nn[nH]n1
Show InChI InChI=1S/C25H20N6O3/c1-2-6-21-24(27-22-19(25(32)33)9-5-10-20(22)26-21)34-16-13-11-15(12-14-16)17-7-3-4-8-18(17)23-28-30-31-29-23/h3-5,7-14H,2,6H2,1H3,(H,32,33)(H,28,29,30,31)
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190n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity for Angiotensin II receptor, type 1 in rat adrenal cortical membranes using [125I]Sar1, Ile8-angiotensin II


J Med Chem 36: 2335-42 (1993)


Article DOI: 10.1021/jm00068a010
BindingDB Entry DOI: 10.7270/Q21V5H6B
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor A/B


(RAT)
BDBM50231146
PNG
(CHEMBL77185)
Show SMILES Cc1c(Oc2ccc(cc2)-c2ccccc2-c2nn[nH]n2)nc2ccccc2[n+]1[O-]
Show InChI InChI=1S/C22H16N6O2/c1-14-22(23-19-8-4-5-9-20(19)28(14)29)30-16-12-10-15(11-13-16)17-6-2-3-7-18(17)21-24-26-27-25-21/h2-13H,1H3,(H,24,25,26,27)
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550n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity of compound in presence of bovine serum albumin (BSA) at 0.01% against rat adrenal Angiotensin II receptor, type 1


J Med Chem 36: 2335-42 (1993)


Article DOI: 10.1021/jm00068a010
BindingDB Entry DOI: 10.7270/Q21V5H6B
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor A/B


(RAT)
BDBM50231146
PNG
(CHEMBL77185)
Show SMILES Cc1c(Oc2ccc(cc2)-c2ccccc2-c2nn[nH]n2)nc2ccccc2[n+]1[O-]
Show InChI InChI=1S/C22H16N6O2/c1-14-22(23-19-8-4-5-9-20(19)28(14)29)30-16-12-10-15(11-13-16)17-6-2-3-7-18(17)21-24-26-27-25-21/h2-13H,1H3,(H,24,25,26,27)
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550n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity for Angiotensin II receptor, type 1 in rat adrenal cortical membranes using [125I]Sar1, Ile8-angiotensin II


J Med Chem 36: 2335-42 (1993)


Article DOI: 10.1021/jm00068a010
BindingDB Entry DOI: 10.7270/Q21V5H6B
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor A/B


(RAT)
BDBM50231008
PNG
(CHEMBL75101)
Show SMILES CCCCc1c(Oc2ccc(cc2)-c2ccccc2-c2nn[nH]n2)nc2ccccc2[n+]1[O-]
Show InChI InChI=1S/C25H22N6O2/c1-2-3-11-23-25(26-21-10-6-7-12-22(21)31(23)32)33-18-15-13-17(14-16-18)19-8-4-5-9-20(19)24-27-29-30-28-24/h4-10,12-16H,2-3,11H2,1H3,(H,27,28,29,30)
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580n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity of compound in presence of bovine serum albumin (BSA) at 0.22% against rat adrenal Angiotensin II receptor, type 1


J Med Chem 36: 2335-42 (1993)


Article DOI: 10.1021/jm00068a010
BindingDB Entry DOI: 10.7270/Q21V5H6B
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor A/B


(RAT)
BDBM50231144
PNG
(CHEMBL76943)
Show SMILES CCCCc1nc2ccccc2nc1Oc1ccc(cc1)-c1ccccc1-c1nn[nH]n1
Show InChI InChI=1S/C25H22N6O/c1-2-3-10-23-25(27-22-12-7-6-11-21(22)26-23)32-18-15-13-17(14-16-18)19-8-4-5-9-20(19)24-28-30-31-29-24/h4-9,11-16H,2-3,10H2,1H3,(H,28,29,30,31)
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2.20E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity of compound in presence of bovine serum albumin (BSA) at 0.22% against rat adrenal Angiotensin II receptor, type 1


J Med Chem 36: 2335-42 (1993)


Article DOI: 10.1021/jm00068a010
BindingDB Entry DOI: 10.7270/Q21V5H6B
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor A/B


(RAT)
BDBM50231006
PNG
(CHEMBL307946)
Show SMILES Cc1nc2ccccc2nc1Oc1ccc(cc1)-c1ccccc1-c1nn[nH]n1
Show InChI InChI=1S/C22H16N6O/c1-14-22(24-20-9-5-4-8-19(20)23-14)29-16-12-10-15(11-13-16)17-6-2-3-7-18(17)21-25-27-28-26-21/h2-13H,1H3,(H,25,26,27,28)
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3.45E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity of compound in presence of bovine serum albumin (BSA) at 0.01% against rat Angiotensin II receptor, type 1


J Med Chem 36: 2335-42 (1993)


Article DOI: 10.1021/jm00068a010
BindingDB Entry DOI: 10.7270/Q21V5H6B
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor A/B


(RAT)
BDBM50231006
PNG
(CHEMBL307946)
Show SMILES Cc1nc2ccccc2nc1Oc1ccc(cc1)-c1ccccc1-c1nn[nH]n1
Show InChI InChI=1S/C22H16N6O/c1-14-22(24-20-9-5-4-8-19(20)23-14)29-16-12-10-15(11-13-16)17-6-2-3-7-18(17)21-25-27-28-26-21/h2-13H,1H3,(H,25,26,27,28)
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3.45E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity for Angiotensin II receptor, type 1 in rat adrenal cortical membranes using [125I]Sar1, Ile8-angiotensin II


J Med Chem 36: 2335-42 (1993)


Article DOI: 10.1021/jm00068a010
BindingDB Entry DOI: 10.7270/Q21V5H6B
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor A/B


(RAT)
BDBM50231146
PNG
(CHEMBL77185)
Show SMILES Cc1c(Oc2ccc(cc2)-c2ccccc2-c2nn[nH]n2)nc2ccccc2[n+]1[O-]
Show InChI InChI=1S/C22H16N6O2/c1-14-22(23-19-8-4-5-9-20(19)28(14)29)30-16-12-10-15(11-13-16)17-6-2-3-7-18(17)21-24-26-27-25-21/h2-13H,1H3,(H,24,25,26,27)
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2.44E+4n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity of compound in presence of bovine serum albumin (BSA) at 0.22% against rat adrenal Angiotensin II receptor, type 1


J Med Chem 36: 2335-42 (1993)


Article DOI: 10.1021/jm00068a010
BindingDB Entry DOI: 10.7270/Q21V5H6B
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor A/B


(RAT)
BDBM50231006
PNG
(CHEMBL307946)
Show SMILES Cc1nc2ccccc2nc1Oc1ccc(cc1)-c1ccccc1-c1nn[nH]n1
Show InChI InChI=1S/C22H16N6O/c1-14-22(24-20-9-5-4-8-19(20)23-14)29-16-12-10-15(11-13-16)17-6-2-3-7-18(17)21-25-27-28-26-21/h2-13H,1H3,(H,25,26,27,28)
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4.00E+4n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity of compound in presence of bovine serum albumin (BSA) at 0.22% against rat Angiotensin II receptor, type 1


J Med Chem 36: 2335-42 (1993)


Article DOI: 10.1021/jm00068a010
BindingDB Entry DOI: 10.7270/Q21V5H6B
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50281226
PNG
(CHEMBL328736 | N-[(S)-1-[(2R,3S)-4-((R)-Butylsulfa...)
Show SMILES CCCCNS(=O)(=O)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)CS(=O)(=O)C(C)(C)C
Show InChI InChI=1S/C35H57N5O8S2/c1-5-6-17-38-50(47,48)23-31(41)32(42)29(19-26-15-11-8-12-16-26)39-34(44)30(20-28-21-36-24-37-28)40-33(43)27(18-25-13-9-7-10-14-25)22-49(45,46)35(2,3)4/h7,9-10,13-14,21,24,26-27,29-32,38,41-42H,5-6,8,11-12,15-20,22-23H2,1-4H3,(H,36,37)(H,39,44)(H,40,43)/t27-,29+,30+,31+,32-/m1/s1
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n/an/a 0.350n/an/an/an/a7.0n/a



TBA

Curated by ChEMBL


Assay Description
The compound was tested for its inhibitory activity against human renal renin at pH 7


Bioorg Med Chem Lett 3: 2739-2744 (1993)


Article DOI: 10.1016/S0960-894X(01)80755-1
BindingDB Entry DOI: 10.7270/Q2Q52PJ2
More data for this
Ligand-Target Pair
Dimer of Protein farnesyltransferase subunit beta


(Homo sapiens (Human))
BDBM50048982
PNG
((R)-2-({(R)-2-[(R)-2-((S)-2-Amino-3-mercapto-propi...)
Show SMILES CSCC[C@@H](NC(=O)[C@H]1Cc2ccccc2CN1C[C@H](NC(=O)[C@H](N)CS)C(C)C)C(O)=O
Show InChI InChI=1S/C23H36N4O4S2/c1-14(2)19(26-21(28)17(24)13-32)12-27-11-16-7-5-4-6-15(16)10-20(27)22(29)25-18(23(30)31)8-9-33-3/h4-7,14,17-20,32H,8-13,24H2,1-3H3,(H,25,29)(H,26,28)(H,30,31)/t17-,18-,19+,20-/m1/s1
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n/an/a 0.370n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Farnesyltransferase


J Med Chem 39: 224-36 (1996)


Article DOI: 10.1021/jm950642a
BindingDB Entry DOI: 10.7270/Q2610ZDS
More data for this
Ligand-Target Pair
Dimer of Protein farnesyltransferase subunit beta


(Homo sapiens (Human))
BDBM50048970
PNG
((R)-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](CCS(C)(=O)=O)C(O)=O
Show InChI InChI=1S/C24H38N4O6S2/c1-24(2,3)20(26-12-17(25)14-35)22(30)28-13-16-8-6-5-7-15(16)11-19(28)21(29)27-18(23(31)32)9-10-36(4,33)34/h5-8,17-20,26,35H,9-14,25H2,1-4H3,(H,27,29)(H,31,32)/t17-,18-,19+,20-/m1/s1
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n/an/a 0.460n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Farnesyltransferase


J Med Chem 39: 224-36 (1996)


Article DOI: 10.1021/jm950642a
BindingDB Entry DOI: 10.7270/Q2610ZDS
More data for this
Ligand-Target Pair
Dimer of Protein farnesyltransferase subunit beta


(Homo sapiens (Human))
BDBM50048963
PNG
((R)-2-({(S)-2-[(S)-2-((R)-2-Amino-3-mercapto-propy...)
Show SMILES CSCC[C@@H](NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](NC[C@@H](N)CS)C(C)(C)C)C(O)=O
Show InChI InChI=1S/C24H38N4O4S2/c1-24(2,3)20(26-12-17(25)14-33)22(30)28-13-16-8-6-5-7-15(16)11-19(28)21(29)27-18(23(31)32)9-10-34-4/h5-8,17-20,26,33H,9-14,25H2,1-4H3,(H,27,29)(H,31,32)/t17-,18-,19+,20-/m1/s1
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n/an/a 0.570n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Farnesyltransferase


J Med Chem 39: 224-36 (1996)


Article DOI: 10.1021/jm950642a
BindingDB Entry DOI: 10.7270/Q2610ZDS
More data for this
Ligand-Target Pair
Dimer of Protein farnesyltransferase subunit beta


(Homo sapiens (Human))
BDBM50048972
PNG
((R)-2-({(R)-2-[(R)-2-((S)-2-Amino-3-mercapto-propy...)
Show SMILES CSCC[C@@H](NC(=O)[C@H]1Cc2ccccc2CN1C(=O)[C@H](NC[C@H](N)CS)C(C)C)C(O)=O
Show InChI InChI=1S/C23H36N4O4S2/c1-14(2)20(25-11-17(24)13-32)22(29)27-12-16-7-5-4-6-15(16)10-19(27)21(28)26-18(23(30)31)8-9-33-3/h4-7,14,17-20,25,32H,8-13,24H2,1-3H3,(H,26,28)(H,30,31)/t17-,18+,19+,20+/m0/s1
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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
In vitro inhibitory activity against Farnesyltransferase


J Med Chem 39: 224-36 (1996)


Article DOI: 10.1021/jm950642a
BindingDB Entry DOI: 10.7270/Q2610ZDS
More data for this
Ligand-Target Pair
Dimer of Protein farnesyltransferase subunit beta


(Homo sapiens (Human))
BDBM50048967
PNG
((R)-2-({(R)-2-[(R)-2-((S)-2-Amino-3-mercapto-propy...)
Show SMILES CSCC[C@@H](NC(=O)[C@H]1Cc2ccccc2CN1C[C@H](NC[C@H](N)CS)C(C)C)C(O)=O
Show InChI InChI=1S/C23H38N4O3S2/c1-15(2)20(25-11-18(24)14-31)13-27-12-17-7-5-4-6-16(17)10-21(27)22(28)26-19(23(29)30)8-9-32-3/h4-7,15,18-21,25,31H,8-14,24H2,1-3H3,(H,26,28)(H,29,30)/t18-,19+,20-,21+/m0/s1
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n/an/a 0.75n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Farnesyltransferase


J Med Chem 39: 224-36 (1996)


Article DOI: 10.1021/jm950642a
BindingDB Entry DOI: 10.7270/Q2610ZDS
More data for this
Ligand-Target Pair
Dimer of Protein farnesyltransferase subunit beta


(Homo sapiens (Human))
BDBM50048964
PNG
((R)-2-({(S)-2-[(S)-2-((R)-2-Amino-3-mercapto-propy...)
Show SMILES CC(C)[C@H](NC[C@@H](N)CS)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@H](CCS(C)(=O)=O)C(O)=O
Show InChI InChI=1S/C23H36N4O6S2/c1-14(2)20(25-11-17(24)13-34)22(29)27-12-16-7-5-4-6-15(16)10-19(27)21(28)26-18(23(30)31)8-9-35(3,32)33/h4-7,14,17-20,25,34H,8-13,24H2,1-3H3,(H,26,28)(H,30,31)/t17-,18-,19+,20+/m1/s1
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n/an/a 0.920n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Farnesyltransferase


J Med Chem 39: 224-36 (1996)


Article DOI: 10.1021/jm950642a
BindingDB Entry DOI: 10.7270/Q2610ZDS
More data for this
Ligand-Target Pair
Dimer of Protein farnesyltransferase subunit beta


(Homo sapiens (Human))
BDBM50048981
PNG
((S)-2-({(R)-2-[(S)-2-((R)-3-Mercapto-2-methyl-prop...)
Show SMILES CSCC[C@H](NC(=O)[C@H]1Cc2ccccc2CN1C(=O)[C@@H](NC(=O)[C@@H](C)CS)C(C)C)C(O)=O
Show InChI InChI=1S/C24H35N3O5S2/c1-14(2)20(26-21(28)15(3)13-33)23(30)27-12-17-8-6-5-7-16(17)11-19(27)22(29)25-18(24(31)32)9-10-34-4/h5-8,14-15,18-20,33H,9-13H2,1-4H3,(H,25,29)(H,26,28)(H,31,32)/t15-,18-,19+,20-/m0/s1
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n/an/a 1n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Farnesyltransferase


J Med Chem 39: 224-36 (1996)


Article DOI: 10.1021/jm950642a
BindingDB Entry DOI: 10.7270/Q2610ZDS
More data for this
Ligand-Target Pair
Geranylgeranyl transferase type-1 subunit beta/Protein farnesyltransferase/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50048966
PNG
((R)-2-({(S)-2-[(S)-2-((R)-2-Amino-3-mercapto-propy...)
Show SMILES CCCC[C@@H](NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](NC[C@@H](N)CS)C(C)C)C(O)=O
Show InChI InChI=1S/C24H38N4O4S/c1-4-5-10-19(24(31)32)27-22(29)20-11-16-8-6-7-9-17(16)13-28(20)23(30)21(15(2)3)26-12-18(25)14-33/h6-9,15,18-21,26,33H,4-5,10-14,25H2,1-3H3,(H,27,29)(H,31,32)/t18-,19-,20+,21+/m1/s1
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n/an/a 1.30n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of Geranylgeranyl transferase type I


J Med Chem 39: 224-36 (1996)


Article DOI: 10.1021/jm950642a
BindingDB Entry DOI: 10.7270/Q2610ZDS
More data for this
Ligand-Target Pair
Dimer of Protein farnesyltransferase subunit beta


(Homo sapiens (Human))
BDBM50048968
PNG
((R)-2-({(S)-2-[(S)-2-((R)-2-Amino-3-mercapto-propy...)
Show SMILES COCC[C@@H](NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](NC[C@@H](N)CS)C(C)(C)C)C(O)=O
Show InChI InChI=1S/C24H38N4O5S/c1-24(2,3)20(26-12-17(25)14-34)22(30)28-13-16-8-6-5-7-15(16)11-19(28)21(29)27-18(23(31)32)9-10-33-4/h5-8,17-20,26,34H,9-14,25H2,1-4H3,(H,27,29)(H,31,32)/t17-,18-,19+,20-/m1/s1
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n/an/a 1.40n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Farnesyltransferase


J Med Chem 39: 224-36 (1996)


Article DOI: 10.1021/jm950642a
BindingDB Entry DOI: 10.7270/Q2610ZDS
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50281231
PNG
((S)-4-Methyl-2-[(S)-2-(2-methyl-propane-2-sulfonyl...)
Show SMILES CCCCNS(=O)(=O)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)CS(=O)(=O)C(C)(C)C
Show InChI InChI=1S/C35H61N3O8S2/c1-7-8-19-36-48(45,46)24-31(39)32(40)29(22-27-17-13-10-14-18-27)37-34(42)30(20-25(2)3)38-33(41)28(21-26-15-11-9-12-16-26)23-47(43,44)35(4,5)6/h9,11-12,15-16,25,27-32,36,39-40H,7-8,10,13-14,17-24H2,1-6H3,(H,37,42)(H,38,41)/t28-,29+,30+,31+,32-/m1/s1
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n/an/a 1.70n/an/an/an/a7.0n/a



TBA

Curated by ChEMBL


Assay Description
The compound was tested for its inhibitory activity against human renal renin at pH 7


Bioorg Med Chem Lett 3: 2739-2744 (1993)


Article DOI: 10.1016/S0960-894X(01)80755-1
BindingDB Entry DOI: 10.7270/Q2Q52PJ2
More data for this
Ligand-Target Pair
Dimer of Protein farnesyltransferase subunit beta


(Homo sapiens (Human))
BDBM50048969
PNG
((R)-2-({(S)-2-[(S)-2-((R)-2-Amino-3-mercapto-propy...)
Show SMILES CN(C)C(=O)CC[C@@H](NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](NC[C@@H](N)CS)C(C)(C)C)C(O)=O
Show InChI InChI=1S/C26H41N5O5S/c1-26(2,3)22(28-13-18(27)15-37)24(34)31-14-17-9-7-6-8-16(17)12-20(31)23(33)29-19(25(35)36)10-11-21(32)30(4)5/h6-9,18-20,22,28,37H,10-15,27H2,1-5H3,(H,29,33)(H,35,36)/t18-,19-,20+,22-/m1/s1
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n/an/a 1.80n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Farnesyltransferase


J Med Chem 39: 224-36 (1996)


Article DOI: 10.1021/jm950642a
BindingDB Entry DOI: 10.7270/Q2610ZDS
More data for this
Ligand-Target Pair
Dimer of Protein farnesyltransferase subunit beta


(Homo sapiens (Human))
BDBM50048974
PNG
((R)-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



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Farnesyltransferase


J Med Chem 39: 224-36 (1996)


Article DOI: 10.1021/jm950642a
BindingDB Entry DOI: 10.7270/Q2610ZDS
More data for this
Ligand-Target Pair
Dimer of Protein farnesyltransferase subunit beta


(Homo sapiens (Human))
BDBM50048975
PNG
((R)-2-({(S)-2-[(S)-2-((R)-2-Amino-3-mercapto-propy...)
Show SMILES CC(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/C23H35N5O5S/c1-13(2)20(26-10-16(24)12-34)22(31)28-11-15-6-4-3-5-14(15)9-18(28)21(30)27-17(23(32)33)7-8-19(25)29/h3-6,13,16-18,20,26,34H,7-12,24H2,1-2H3,(H2,25,29)(H,27,30)(H,32,33)/t16-,17-,18+,20+/m1/s1
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n/an/a 4.40n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Farnesyltransferase


J Med Chem 39: 224-36 (1996)


Article DOI: 10.1021/jm950642a
BindingDB Entry DOI: 10.7270/Q2610ZDS
More data for this
Ligand-Target Pair
Geranylgeranyl transferase type-1 subunit beta/Protein farnesyltransferase/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50048963
PNG
((R)-2-({(S)-2-[(S)-2-((R)-2-Amino-3-mercapto-propy...)
Show SMILES CSCC[C@@H](NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](NC[C@@H](N)CS)C(C)(C)C)C(O)=O
Show InChI InChI=1S/C24H38N4O4S2/c1-24(2,3)20(26-12-17(25)14-33)22(30)28-13-16-8-6-5-7-15(16)11-19(28)21(29)27-18(23(31)32)9-10-34-4/h5-8,17-20,26,33H,9-14,25H2,1-4H3,(H,27,29)(H,31,32)/t17-,18-,19+,20-/m1/s1
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n/an/a 4.80n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of Geranylgeranyl transferase type I


J Med Chem 39: 224-36 (1996)


Article DOI: 10.1021/jm950642a
BindingDB Entry DOI: 10.7270/Q2610ZDS
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50281229
PNG
(1H-Indole-2-carboxylic acid [(S)-1-[4-((S,S,R)-but...)
Show SMILES CCCCNS(=O)(=O)C[C@@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)c1cc2ccccc2[nH]1
Show InChI InChI=1S/C30H44N6O6S/c1-2-3-13-33-43(41,42)18-27(37)28(38)24(14-20-9-5-4-6-10-20)35-30(40)26(16-22-17-31-19-32-22)36-29(39)25-15-21-11-7-8-12-23(21)34-25/h7-8,11-12,15,17,19-20,24,26-28,33-34,37-38H,2-6,9-10,13-14,16,18H2,1H3,(H,31,32)(H,35,40)(H,36,39)/t24-,26-,27+,28+/m0/s1
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n/an/a 11n/an/an/an/a7.0n/a



TBA

Curated by ChEMBL


Assay Description
The compound was tested for its inhibitory activity against human renal renin at pH 7


Bioorg Med Chem Lett 3: 2739-2744 (1993)


Article DOI: 10.1016/S0960-894X(01)80755-1
BindingDB Entry DOI: 10.7270/Q2Q52PJ2
More data for this
Ligand-Target Pair
Dimer of Protein farnesyltransferase subunit beta


(Homo sapiens (Human))
BDBM50048983
PNG
((R)-2-({(S)-2-[(S)-2-((R)-2-Amino-3-mercapto-propy...)
Show SMILES CC[C@H](NC[C@@H](N)CS)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@H](CCSC)C(O)=O
Show InChI InChI=1S/C22H34N4O4S2/c1-3-17(24-11-16(23)13-31)21(28)26-12-15-7-5-4-6-14(15)10-19(26)20(27)25-18(22(29)30)8-9-32-2/h4-7,16-19,24,31H,3,8-13,23H2,1-2H3,(H,25,27)(H,29,30)/t16-,17+,18-,19+/m1/s1
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n/an/a 14n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Farnesyltransferase


J Med Chem 39: 224-36 (1996)


Article DOI: 10.1021/jm950642a
BindingDB Entry DOI: 10.7270/Q2610ZDS
More data for this
Ligand-Target Pair
Geranylgeranyl transferase type-1 subunit beta/Protein farnesyltransferase/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50048970
PNG
((R)-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](CCS(C)(=O)=O)C(O)=O
Show InChI InChI=1S/C24H38N4O6S2/c1-24(2,3)20(26-12-17(25)14-35)22(30)28-13-16-8-6-5-7-15(16)11-19(28)21(29)27-18(23(31)32)9-10-36(4,33)34/h5-8,17-20,26,35H,9-14,25H2,1-4H3,(H,27,29)(H,31,32)/t17-,18-,19+,20-/m1/s1
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n/an/a 14n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of Geranylgeranyl transferase type I


J Med Chem 39: 224-36 (1996)


Article DOI: 10.1021/jm950642a
BindingDB Entry DOI: 10.7270/Q2610ZDS
More data for this
Ligand-Target Pair
Geranylgeranyl transferase type-1 subunit beta/Protein farnesyltransferase/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50048968
PNG
((R)-2-({(S)-2-[(S)-2-((R)-2-Amino-3-mercapto-propy...)
Show SMILES COCC[C@@H](NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](NC[C@@H](N)CS)C(C)(C)C)C(O)=O
Show InChI InChI=1S/C24H38N4O5S/c1-24(2,3)20(26-12-17(25)14-34)22(30)28-13-16-8-6-5-7-15(16)11-19(28)21(29)27-18(23(31)32)9-10-33-4/h5-8,17-20,26,34H,9-14,25H2,1-4H3,(H,27,29)(H,31,32)/t17-,18-,19+,20-/m1/s1
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n/an/a 22n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of Geranylgeranyl transferase type I


J Med Chem 39: 224-36 (1996)


Article DOI: 10.1021/jm950642a
BindingDB Entry DOI: 10.7270/Q2610ZDS
More data for this
Ligand-Target Pair
Dimer of Protein farnesyltransferase subunit beta


(Homo sapiens (Human))
BDBM50048965
PNG
((S)-2-{(R)-2-[(S)-2-((R)-2-Amino-3-mercapto-propio...)
Show SMILES CSCC[C@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@@H](N)CS)C(C)C)C(O)=O
Show InChI InChI=1S/C22H34N4O5S2/c1-13(2)18(26-19(27)15(23)12-32)21(29)25-17(11-14-7-5-4-6-8-14)20(28)24-16(22(30)31)9-10-33-3/h4-8,13,15-18,32H,9-12,23H2,1-3H3,(H,24,28)(H,25,29)(H,26,27)(H,30,31)/t15-,16-,17+,18-/m0/s1
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n/an/a 37n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Farnesyltransferase


J Med Chem 39: 224-36 (1996)


Article DOI: 10.1021/jm950642a
BindingDB Entry DOI: 10.7270/Q2610ZDS
More data for this
Ligand-Target Pair
Dimer of Protein farnesyltransferase subunit beta


(Homo sapiens (Human))
BDBM50048973
PNG
((R)-2-({(S)-2-[(S)-2-((R)-2-Amino-3-mercapto-propy...)
Show SMILES CSCC[C@@H](NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@H](C)NC[C@@H](N)CS)C(O)=O
Show InChI InChI=1S/C21H32N4O4S2/c1-13(23-10-16(22)12-30)20(27)25-11-15-6-4-3-5-14(15)9-18(25)19(26)24-17(21(28)29)7-8-31-2/h3-6,13,16-18,23,30H,7-12,22H2,1-2H3,(H,24,26)(H,28,29)/t13-,16+,17+,18-/m0/s1
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n/an/a 45n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Farnesyltransferase


J Med Chem 39: 224-36 (1996)


Article DOI: 10.1021/jm950642a
BindingDB Entry DOI: 10.7270/Q2610ZDS
More data for this
Ligand-Target Pair
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