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Compile Data Set for Download or QSAR

Found 603 hits with Last Name = 'kim' and Initial = 'ks'   
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 II receptor (AT-1) type-1


(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
Angiotensin II receptor (AT-1) type-1


(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
Angiotensin II receptor (AT-1) type-1


(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
Angiotensin II receptor (AT-1) type-1


(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
Angiotensin II receptor (AT-1) type-1


(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
Angiotensin II receptor (AT-1) type-1


(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
Angiotensin II receptor (AT-1) type-1


(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
Angiotensin II receptor (AT-1) type-1


(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
Angiotensin II receptor (AT-1) type-1


(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
Angiotensin II receptor (AT-1) type-1


(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
Angiotensin II receptor (AT-1) type-1


(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
Angiotensin II receptor (AT-1) type-1


(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
Angiotensin II receptor (AT-1) type-1


(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
Angiotensin II receptor (AT-1) type-1


(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
Angiotensin II receptor (AT-1) type-1


(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
Angiotensin II receptor (AT-1) type-1


(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
Angiotensin II receptor (AT-1) type-1


(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
Angiotensin II receptor (AT-1) type-1


(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
Angiotensin II receptor (AT-1) type-1


(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
Angiotensin II receptor (AT-1) type-1


(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
Angiotensin II receptor (AT-1) type-1


(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
Angiotensin II receptor (AT-1) type-1


(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
Angiotensin II receptor (AT-1) type-1


(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
Angiotensin II receptor (AT-1) type-1


(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
Angiotensin II receptor (AT-1) type-1


(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
Angiotensin II receptor (AT-1) type-1


(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
Angiotensin II receptor (AT-1) type-1


(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
Angiotensin II receptor (AT-1) type-1


(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
Angiotensin II receptor (AT-1) type-1


(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
X-linked inhibitor of apoptosis protein BIR3 domain (XIAP BIR-3)


(Homo sapiens (Human))
BDBM249169
PNG
(US9453048, 11 | US9453048, 12)
Show SMILES CN[C@@H](C)C(=O)NC(Cc1ccc(OCc2ccc(cc2)C(=O)N[C@H]2CC(N(C2)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)C(=O)N[C@@H]2CCCc3ccccc23)cc1)C(=O)C1CCCC[C@@H]1C(=O)NC1CCCc2ccccc12
Show InChI InChI=1S/C63H82N8O8/c1-38(64-6)57(73)69-53(55(72)49-22-12-13-23-50(49)60(76)67-51-24-14-18-42-16-8-10-20-47(42)51)34-40-28-32-46(33-29-40)79-37-41-26-30-44(31-27-41)59(75)66-45-35-54(61(77)68-52-25-15-19-43-17-9-11-21-48(43)52)71(36-45)62(78)56(63(3,4)5)70-58(74)39(2)65-7/h8-11,16-17,20-21,26-33,38-39,45,49-54,56,64-65H,12-15,18-19,22-25,34-37H2,1-7H3,(H,66,75)(H,67,76)(H,68,77)(H,69,73)(H,70,74)/t38-,39-,45-,49?,50-,51?,52+,53?,54?,56+/m0/s1
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n/an/a 0.0600n/an/an/an/an/a25



Bristol-Myers Squibb Co.

US Patent


Assay Description
Assays were performed in black, flat-bottom, 384-well plates. The final assay volume was 50 μL prepared from additions of N-His-Tb-BIR3(241-356,...


US Patent US9453048 (2016)


BindingDB Entry DOI: 10.7270/Q2057DV5
More data for this
Ligand-Target Pair
X-linked inhibitor of apoptosis protein BIR3 domain (XIAP BIR-3)


(Homo sapiens (Human))
BDBM249167
PNG
(US9453048, 9)
Show SMILES CN[C@@H](C)C(=O)NC(Cc1ccc(OCc2ccc(cc2)C(=O)N[C@H]2C[C@H](N(C2)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)C(=O)NC2CCCc3ccccc23)cc1)C(=O)C1CC=CC[C@H]1C(=O)NC1CCCc2ccccc12
Show InChI InChI=1S/C63H80N8O8/c1-38(64-6)57(73)69-53(55(72)49-22-12-13-23-50(49)60(76)67-51-24-14-18-42-16-8-10-20-47(42)51)34-40-28-32-46(33-29-40)79-37-41-26-30-44(31-27-41)59(75)66-45-35-54(61(77)68-52-25-15-19-43-17-9-11-21-48(43)52)71(36-45)62(78)56(63(3,4)5)70-58(74)39(2)65-7/h8-13,16-17,20-21,26-33,38-39,45,49-54,56,64-65H,14-15,18-19,22-25,34-37H2,1-7H3,(H,66,75)(H,67,76)(H,68,77)(H,69,73)(H,70,74)/t38-,39-,45-,49?,50+,51?,52?,53?,54-,56+/m0/s1
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n/an/a 0.0600n/an/an/an/an/a25



Bristol-Myers Squibb Co.

US Patent


Assay Description
Assays were performed in black, flat-bottom, 384-well plates. The final assay volume was 50 μL prepared from additions of N-His-Tb-BIR3(241-356,...


US Patent US9453048 (2016)


BindingDB Entry DOI: 10.7270/Q2057DV5
More data for this
Ligand-Target Pair
X-linked inhibitor of apoptosis protein BIR3 domain (XIAP BIR-3)


(Homo sapiens (Human))
BDBM249163
PNG
(US9453048, 4)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](Cc1ccc(OCc2ccc(cc2)C(=O)NC2C[C@H](N(C2)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)C(=O)NC2CCCc3ccccc23)cc1)C(=O)N1CC=CCC1C(=O)N[C@@H]1CCCc2ccccc12
Show InChI InChI=1S/C62H79N9O8/c1-38(63-6)55(72)68-51(60(77)70-33-13-12-24-52(70)58(75)66-49-22-14-18-42-16-8-10-20-47(42)49)34-40-27-31-46(32-28-40)79-37-41-25-29-44(30-26-41)57(74)65-45-35-53(59(76)67-50-23-15-19-43-17-9-11-21-48(43)50)71(36-45)61(78)54(62(3,4)5)69-56(73)39(2)64-7/h8-13,16-17,20-21,25-32,38-39,45,49-54,63-64H,14-15,18-19,22-24,33-37H2,1-7H3,(H,65,74)(H,66,75)(H,67,76)(H,68,72)(H,69,73)/t38-,39-,45?,49+,50?,51-,52?,53-,54+/m0/s1
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n/an/a 0.0600n/an/an/an/an/a25



Bristol-Myers Squibb Co.

US Patent


Assay Description
Assays were performed in black, flat-bottom, 384-well plates. The final assay volume was 50 μL prepared from additions of N-His-Tb-BIR3(241-356,...


US Patent US9453048 (2016)


BindingDB Entry DOI: 10.7270/Q2057DV5
More data for this
Ligand-Target Pair
X-linked inhibitor of apoptosis protein BIR3 domain (XIAP BIR-3)


(Homo sapiens (Human))
BDBM249161
PNG
(US9453048, 2)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](Cc1ccc(OCc2ccc(cc2)C(=O)NC2C[C@H](N(C2)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)C(=O)NC2CCCc3ccccc23)cc1)C(=O)N1CCCC1C(=O)N[C@@H]1CCCc2ccccc12
Show InChI InChI=1S/C61H79N9O8/c1-37(62-6)54(71)67-50(59(76)69-32-14-23-51(69)57(74)65-48-21-12-17-41-15-8-10-19-46(41)48)33-39-26-30-45(31-27-39)78-36-40-24-28-43(29-25-40)56(73)64-44-34-52(58(75)66-49-22-13-18-42-16-9-11-20-47(42)49)70(35-44)60(77)53(61(3,4)5)68-55(72)38(2)63-7/h8-11,15-16,19-20,24-31,37-38,44,48-53,62-63H,12-14,17-18,21-23,32-36H2,1-7H3,(H,64,73)(H,65,74)(H,66,75)(H,67,71)(H,68,72)/t37-,38-,44?,48+,49?,50-,51?,52-,53+/m0/s1
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n/an/a 0.0600n/an/an/an/an/a25



Bristol-Myers Squibb Co.

US Patent


Assay Description
Assays were performed in black, flat-bottom, 384-well plates. The final assay volume was 50 μL prepared from additions of N-His-Tb-BIR3(241-356,...


US Patent US9453048 (2016)


BindingDB Entry DOI: 10.7270/Q2057DV5
More data for this
Ligand-Target Pair
X-linked inhibitor of apoptosis protein BIR3 domain (XIAP BIR-3)


(Homo sapiens (Human))
BDBM249174
PNG
(US9453048, 16)
Show SMILES CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@H](CC1C(=O)N[C@@H]1CCCc2ccccc12)NC(=O)c1ccc(COc2ccc(CN(NC(=O)[C@H](C)NC)C(=O)[C@H]3CCCC[C@H]3C(=O)NC3CCCc4ccccc34)cc2)cc1)C(C)(C)C
Show InChI InChI=1S/C62H81N9O8/c1-38(63-6)55(72)68-54(62(3,4)5)61(78)70-36-45(34-53(70)59(76)67-52-25-15-19-43-17-9-11-21-48(43)52)65-57(74)44-30-26-41(27-31-44)37-79-46-32-28-40(29-33-46)35-71(69-56(73)39(2)64-7)60(77)50-23-13-12-22-49(50)58(75)66-51-24-14-18-42-16-8-10-20-47(42)51/h8-11,16-17,20-21,26-33,38-39,45,49-54,63-64H,12-15,18-19,22-25,34-37H2,1-7H3,(H,65,74)(H,66,75)(H,67,76)(H,68,72)(H,69,73)/t38-,39-,45-,49+,50-,51?,52+,53?,54+/m0/s1
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n/an/a 0.0700n/an/an/an/an/a25



Bristol-Myers Squibb Co.

US Patent


Assay Description
Assays were performed in black, flat-bottom, 384-well plates. The final assay volume was 50 μL prepared from additions of N-His-Tb-BIR3(241-356,...


US Patent US9453048 (2016)


BindingDB Entry DOI: 10.7270/Q2057DV5
More data for this
Ligand-Target Pair
X-linked inhibitor of apoptosis protein BIR3 domain (XIAP BIR-3)


(Homo sapiens (Human))
BDBM249172
PNG
(US9453048, 14)
Show SMILES CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@H](CC1C(=O)N[C@@H]1CCCc2ccccc12)NC(=O)c1ccc(COc2ccc(CN(NC(=O)[C@H](C)NC)C(=O)C3CCC[C@@H]3C(=O)NC3CCCc4ccccc34)cc2)cc1)C(C)(C)C
Show InChI InChI=1S/C61H79N9O8/c1-37(62-6)54(71)67-53(61(3,4)5)60(77)69-35-44(33-52(69)58(75)66-51-24-13-18-42-16-9-11-20-47(42)51)64-56(73)43-29-25-40(26-30-43)36-78-45-31-27-39(28-32-45)34-70(68-55(72)38(2)63-7)59(76)49-22-14-21-48(49)57(74)65-50-23-12-17-41-15-8-10-19-46(41)50/h8-11,15-16,19-20,25-32,37-38,44,48-53,62-63H,12-14,17-18,21-24,33-36H2,1-7H3,(H,64,73)(H,65,74)(H,66,75)(H,67,71)(H,68,72)/t37-,38-,44-,48-,49?,50?,51+,52?,53+/m0/s1
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n/an/a 0.0800n/an/an/an/an/a25



Bristol-Myers Squibb Co.

US Patent


Assay Description
Assays were performed in black, flat-bottom, 384-well plates. The final assay volume was 50 μL prepared from additions of N-His-Tb-BIR3(241-356,...


US Patent US9453048 (2016)


BindingDB Entry DOI: 10.7270/Q2057DV5
More data for this
Ligand-Target Pair
X-linked inhibitor of apoptosis protein BIR3 domain (XIAP BIR-3)


(Homo sapiens (Human))
BDBM249162
PNG
(US9453048, 3)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](Cc1ccc(OCc2ccc(cc2)C(=O)NC2C[C@H](N(C2)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)C(=O)NC2CCCc3ccccc23)cc1)C(=O)N1CCCCC1C(=O)N[C@@H]1CCCc2ccccc12
Show InChI InChI=1S/C62H81N9O8/c1-38(63-6)55(72)68-51(60(77)70-33-13-12-24-52(70)58(75)66-49-22-14-18-42-16-8-10-20-47(42)49)34-40-27-31-46(32-28-40)79-37-41-25-29-44(30-26-41)57(74)65-45-35-53(59(76)67-50-23-15-19-43-17-9-11-21-48(43)50)71(36-45)61(78)54(62(3,4)5)69-56(73)39(2)64-7/h8-11,16-17,20-21,25-32,38-39,45,49-54,63-64H,12-15,18-19,22-24,33-37H2,1-7H3,(H,65,74)(H,66,75)(H,67,76)(H,68,72)(H,69,73)/t38-,39-,45?,49+,50?,51-,52?,53-,54+/m0/s1
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n/an/a 0.0800n/an/an/an/an/a25



Bristol-Myers Squibb Co.

US Patent


Assay Description
Assays were performed in black, flat-bottom, 384-well plates. The final assay volume was 50 μL prepared from additions of N-His-Tb-BIR3(241-356,...


US Patent US9453048 (2016)


BindingDB Entry DOI: 10.7270/Q2057DV5
More data for this
Ligand-Target Pair
X-linked inhibitor of apoptosis protein BIR3 domain (XIAP BIR-3)


(Homo sapiens (Human))
BDBM249168
PNG
(US9453048, 10)
Show SMILES CN[C@@H](C)C(=O)NC(Cc1ccc(OCc2ccc(cc2)C(=O)N[C@H]2CC(N(C2)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)C(=O)N[C@@H]2CCCc3ccccc23)cc1)C(=O)C1CC=CC[C@@H]1C(=O)NC1CCCc2ccccc12
Show InChI InChI=1S/C63H80N8O8/c1-38(64-6)57(73)69-53(55(72)49-22-12-13-23-50(49)60(76)67-51-24-14-18-42-16-8-10-20-47(42)51)34-40-28-32-46(33-29-40)79-37-41-26-30-44(31-27-41)59(75)66-45-35-54(61(77)68-52-25-15-19-43-17-9-11-21-48(43)52)71(36-45)62(78)56(63(3,4)5)70-58(74)39(2)65-7/h8-13,16-17,20-21,26-33,38-39,45,49-54,56,64-65H,14-15,18-19,22-25,34-37H2,1-7H3,(H,66,75)(H,67,76)(H,68,77)(H,69,73)(H,70,74)/t38-,39-,45-,49?,50-,51?,52+,53?,54?,56+/m0/s1
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n/an/a 0.130n/an/an/an/an/a25



Bristol-Myers Squibb Co.

US Patent


Assay Description
Assays were performed in black, flat-bottom, 384-well plates. The final assay volume was 50 μL prepared from additions of N-His-Tb-BIR3(241-356,...


US Patent US9453048 (2016)


BindingDB Entry DOI: 10.7270/Q2057DV5
More data for this
Ligand-Target Pair
X-linked inhibitor of apoptosis protein BIR3 domain (XIAP BIR-3)


(Homo sapiens (Human))
BDBM249160
PNG
(US9453048, 1)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](Cc1ccc(OCc2ccc(cc2)C(=O)N[C@H]2C[C@H](N(C2)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)C(=O)NC2CCCc3ccccc23)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NC1CCCc2ccccc12
Show InChI InChI=1S/C66H81N9O8/c1-40(67-6)59(76)72-55(64(81)74-37-48-19-9-8-18-47(48)35-56(74)62(79)70-53-24-14-20-44-16-10-12-22-51(44)53)34-42-28-32-50(33-29-42)83-39-43-26-30-46(31-27-43)61(78)69-49-36-57(63(80)71-54-25-15-21-45-17-11-13-23-52(45)54)75(38-49)65(82)58(66(3,4)5)73-60(77)41(2)68-7/h8-13,16-19,22-23,26-33,40-41,49,53-58,67-68H,14-15,20-21,24-25,34-39H2,1-7H3,(H,69,78)(H,70,79)(H,71,80)(H,72,76)(H,73,77)/t40-,41-,49-,53?,54?,55-,56-,57-,58+/m0/s1
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n/an/a 0.140n/an/an/an/an/a25



Bristol-Myers Squibb Co.

US Patent


Assay Description
Assays were performed in black, flat-bottom, 384-well plates. The final assay volume was 50 μL prepared from additions of N-His-Tb-BIR3(241-356,...


US Patent US9453048 (2016)


BindingDB Entry DOI: 10.7270/Q2057DV5
More data for this
Ligand-Target Pair
X-linked inhibitor of apoptosis protein BIR3 domain (XIAP BIR-3)


(Homo sapiens (Human))
BDBM249165
PNG
(US9453048, 6)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](Cc1ccc(Oc2ccc(cc2)C(=O)NC2C[C@H](N(C2)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)C(=O)NC2CCCc3ccccc23)cc1)C(=O)N1Cc2ccccc2CC1C(=O)N[C@@H]1CCCc2ccccc12
Show InChI InChI=1S/C65H79N9O8/c1-39(66-6)58(75)71-54(63(80)73-37-46-19-9-8-18-45(46)35-55(73)61(78)69-52-24-14-20-42-16-10-12-22-50(42)52)34-41-26-30-48(31-27-41)82-49-32-28-44(29-33-49)60(77)68-47-36-56(62(79)70-53-25-15-21-43-17-11-13-23-51(43)53)74(38-47)64(81)57(65(3,4)5)72-59(76)40(2)67-7/h8-13,16-19,22-23,26-33,39-40,47,52-57,66-67H,14-15,20-21,24-25,34-38H2,1-7H3,(H,68,77)(H,69,78)(H,70,79)(H,71,75)(H,72,76)/t39-,40-,47?,52+,53?,54-,55?,56-,57+/m0/s1
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n/an/a 0.140n/an/an/an/an/a25



Bristol-Myers Squibb Co.

US Patent


Assay Description
Assays were performed in black, flat-bottom, 384-well plates. The final assay volume was 50 μL prepared from additions of N-His-Tb-BIR3(241-356,...


US Patent US9453048 (2016)


BindingDB Entry DOI: 10.7270/Q2057DV5
More data for this
Ligand-Target Pair
X-linked inhibitor of apoptosis protein BIR3 domain (XIAP BIR-3)


(Homo sapiens (Human))
BDBM249166
PNG
(US9453048, 7)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](Cc1ccc(NCc2ccc(cc2)C(=O)NC2C[C@H](N(C2)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)C(=O)NC2CCCc3ccccc23)cc1)C(=O)N1Cc2ccccc2CC1C(=O)N[C@@H]1CCCc2ccccc12
Show InChI InChI=1S/C66H82N10O7/c1-40(67-6)59(77)73-55(64(82)75-38-48-19-9-8-18-47(48)35-56(75)62(80)71-53-24-14-20-44-16-10-12-22-51(44)53)34-42-28-32-49(33-29-42)69-37-43-26-30-46(31-27-43)61(79)70-50-36-57(63(81)72-54-25-15-21-45-17-11-13-23-52(45)54)76(39-50)65(83)58(66(3,4)5)74-60(78)41(2)68-7/h8-13,16-19,22-23,26-33,40-41,50,53-58,67-69H,14-15,20-21,24-25,34-39H2,1-7H3,(H,70,79)(H,71,80)(H,72,81)(H,73,77)(H,74,78)/t40-,41-,50?,53+,54?,55-,56?,57-,58+/m0/s1
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n/an/a 0.140n/an/an/an/an/a25



Bristol-Myers Squibb Co.

US Patent


Assay Description
Assays were performed in black, flat-bottom, 384-well plates. The final assay volume was 50 μL prepared from additions of N-His-Tb-BIR3(241-356,...


US Patent US9453048 (2016)


BindingDB Entry DOI: 10.7270/Q2057DV5
More data for this
Ligand-Target Pair
X-linked inhibitor of apoptosis protein BIR3 domain (XIAP BIR-3)


(Homo sapiens (Human))
BDBM249171
PNG
(US9453048, 13 | US9453048, 15)
Show SMILES CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@H](CC1C(=O)N[C@@H]1CCCc2ccccc12)NC(=O)c1ccc(COc2ccc(CN(NC(=O)[C@H](C)NC)C(=O)C3CCC[C@H]3C(=O)NC3CCCc4ccccc34)cc2)cc1)C(C)(C)C
Show InChI InChI=1S/C61H79N9O8/c1-37(62-6)54(71)67-53(61(3,4)5)60(77)69-35-44(33-52(69)58(75)66-51-24-13-18-42-16-9-11-20-47(42)51)64-56(73)43-29-25-40(26-30-43)36-78-45-31-27-39(28-32-45)34-70(68-55(72)38(2)63-7)59(76)49-22-14-21-48(49)57(74)65-50-23-12-17-41-15-8-10-19-46(41)50/h8-11,15-16,19-20,25-32,37-38,44,48-53,62-63H,12-14,17-18,21-24,33-36H2,1-7H3,(H,64,73)(H,65,74)(H,66,75)(H,67,71)(H,68,72)/t37-,38-,44-,48+,49?,50?,51+,52?,53+/m0/s1
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n/an/a 0.150n/an/an/an/an/a25



Bristol-Myers Squibb Co.

US Patent


Assay Description
Assays were performed in black, flat-bottom, 384-well plates. The final assay volume was 50 μL prepared from additions of N-His-Tb-BIR3(241-356,...


US Patent US9453048 (2016)


BindingDB Entry DOI: 10.7270/Q2057DV5
More data for this
Ligand-Target Pair
X-linked inhibitor of apoptosis protein BIR3 domain (XIAP BIR-3)


(Homo sapiens (Human))
BDBM249164
PNG
(US9453048, 5)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](Cc1ccc(OCc2ccc(C(=O)NC3C[C@H](N(C3)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)C(=O)NC3CCCc4ccccc34)c(F)c2)cc1)C(=O)N1Cc2ccccc2CC1C(=O)N[C@@H]1CCCc2ccccc12
Show InChI InChI=1S/C66H80FN9O8/c1-39(68-6)59(77)73-55(64(82)75-36-46-19-9-8-18-45(46)34-56(75)62(80)71-53-24-14-20-43-16-10-12-22-49(43)53)33-41-26-29-48(30-27-41)84-38-42-28-31-51(52(67)32-42)61(79)70-47-35-57(63(81)72-54-25-15-21-44-17-11-13-23-50(44)54)76(37-47)65(83)58(66(3,4)5)74-60(78)40(2)69-7/h8-13,16-19,22-23,26-32,39-40,47,53-58,68-69H,14-15,20-21,24-25,33-38H2,1-7H3,(H,70,79)(H,71,80)(H,72,81)(H,73,77)(H,74,78)/t39-,40-,47?,53+,54?,55-,56?,57-,58+/m0/s1
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n/an/a 0.160n/an/an/an/an/a25



Bristol-Myers Squibb Co.

US Patent


Assay Description
Assays were performed in black, flat-bottom, 384-well plates. The final assay volume was 50 μL prepared from additions of N-His-Tb-BIR3(241-356,...


US Patent US9453048 (2016)


BindingDB Entry DOI: 10.7270/Q2057DV5
More data for this
Ligand-Target Pair
X-linked inhibitor of apoptosis protein BIR3 domain (XIAP BIR-3)


(Homo sapiens (Human))
BDBM249178
PNG
(US9453048, 20)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](Cc1ccc(\C=C\c2ccc(cc2)C(=O)NC2CC(N(C2)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)C(=O)N[C@@H]2CCCc3ccccc23)cc1)C(=O)N1Cc2ccccc2CC1C(=O)N[C@@H]1CCCc2ccccc12
Show InChI InChI=1S/C67H81N9O7/c1-41(68-6)60(77)73-56(65(82)75-39-50-19-9-8-18-49(50)37-57(75)63(80)71-54-24-14-20-46-16-10-12-22-52(46)54)36-45-30-28-43(29-31-45)26-27-44-32-34-48(35-33-44)62(79)70-51-38-58(64(81)72-55-25-15-21-47-17-11-13-23-53(47)55)76(40-51)66(83)59(67(3,4)5)74-61(78)42(2)69-7/h8-13,16-19,22-23,26-35,41-42,51,54-59,68-69H,14-15,20-21,24-25,36-40H2,1-7H3,(H,70,79)(H,71,80)(H,72,81)(H,73,77)(H,74,78)/b27-26+/t41-,42-,51?,54+,55+,56-,57?,58?,59+/m0/s1
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n/an/a 0.180n/an/an/an/an/a25



Bristol-Myers Squibb Co.

US Patent


Assay Description
Assays were performed in black, flat-bottom, 384-well plates. The final assay volume was 50 μL prepared from additions of N-His-Tb-BIR3(241-356,...


US Patent US9453048 (2016)


BindingDB Entry DOI: 10.7270/Q2057DV5
More data for this
Ligand-Target Pair
X-linked inhibitor of apoptosis protein BIR3 domain (XIAP BIR-3)


(Homo sapiens (Human))
BDBM249177
PNG
(US9453048, 19)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](Cc1ccc(CCc2ccc(cc2)C(=O)NC2C[C@H](N(C2)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)C(=O)NC2CCCc3ccccc23)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NC1CCCc2ccccc12
Show InChI InChI=1S/C67H83N9O7/c1-41(68-6)60(77)73-56(65(82)75-39-50-19-9-8-18-49(50)37-57(75)63(80)71-54-24-14-20-46-16-10-12-22-52(46)54)36-45-30-28-43(29-31-45)26-27-44-32-34-48(35-33-44)62(79)70-51-38-58(64(81)72-55-25-15-21-47-17-11-13-23-53(47)55)76(40-51)66(83)59(67(3,4)5)74-61(78)42(2)69-7/h8-13,16-19,22-23,28-35,41-42,51,54-59,68-69H,14-15,20-21,24-27,36-40H2,1-7H3,(H,70,79)(H,71,80)(H,72,81)(H,73,77)(H,74,78)/t41-,42-,51?,54?,55?,56-,57-,58-,59+/m0/s1
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n/an/a 0.210n/an/an/an/an/a25



Bristol-Myers Squibb Co.

US Patent


Assay Description
Assays were performed in black, flat-bottom, 384-well plates. The final assay volume was 50 μL prepared from additions of N-His-Tb-BIR3(241-356,...


US Patent US9453048 (2016)


BindingDB Entry DOI: 10.7270/Q2057DV5
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase (XIAP-BIR2)(C202A/C213G)


(Homo sapiens (Human))
BDBM249163
PNG
(US9453048, 4)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](Cc1ccc(OCc2ccc(cc2)C(=O)NC2C[C@H](N(C2)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)C(=O)NC2CCCc3ccccc23)cc1)C(=O)N1CC=CCC1C(=O)N[C@@H]1CCCc2ccccc12
Show InChI InChI=1S/C62H79N9O8/c1-38(63-6)55(72)68-51(60(77)70-33-13-12-24-52(70)58(75)66-49-22-14-18-42-16-8-10-20-47(42)49)34-40-27-31-46(32-28-40)79-37-41-25-29-44(30-26-41)57(74)65-45-35-53(59(76)67-50-23-15-19-43-17-9-11-21-48(43)50)71(36-45)61(78)54(62(3,4)5)69-56(73)39(2)64-7/h8-13,16-17,20-21,25-32,38-39,45,49-54,63-64H,14-15,18-19,22-24,33-37H2,1-7H3,(H,65,74)(H,66,75)(H,67,76)(H,68,72)(H,69,73)/t38-,39-,45?,49+,50?,51-,52?,53-,54+/m0/s1
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n/an/a 0.220n/an/an/an/an/a25



Bristol-Myers Squibb Co.

US Patent


Assay Description
Assays were performed in white, flat-bottom, 384-well ProxiPlates (Perkin Elmer). The final assay volume was 10 μL prepared from additions of Hi...


US Patent US9453048 (2016)


BindingDB Entry DOI: 10.7270/Q2057DV5
More data for this
Ligand-Target Pair
X-linked inhibitor of apoptosis protein BIR3 domain (XIAP BIR-3)


(Homo sapiens (Human))
BDBM249176
PNG
(US9453048, 18)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](Cc1ccc(CCc2ccc(cc2)C(=O)NC2C[C@H](N(C2)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)C(=O)NC2CCCc3ccccc23)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N(C)C1CCCc2ccccc12
Show InChI InChI=1S/C68H85N9O7/c1-42(69-6)61(78)73-56(65(82)76-40-51-20-10-9-19-50(51)38-59(76)66(83)75(8)57-26-16-22-48-18-12-14-24-54(48)57)37-46-31-29-44(30-32-46)27-28-45-33-35-49(36-34-45)63(80)71-52-39-58(64(81)72-55-25-15-21-47-17-11-13-23-53(47)55)77(41-52)67(84)60(68(3,4)5)74-62(79)43(2)70-7/h9-14,17-20,23-24,29-36,42-43,52,55-60,69-70H,15-16,21-22,25-28,37-41H2,1-8H3,(H,71,80)(H,72,81)(H,73,78)(H,74,79)/t42-,43-,52?,55?,56-,57?,58-,59-,60+/m0/s1
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n/an/a 0.220n/an/an/an/an/a25



Bristol-Myers Squibb Co.

US Patent


Assay Description
Assays were performed in black, flat-bottom, 384-well plates. The final assay volume was 50 μL prepared from additions of N-His-Tb-BIR3(241-356,...


US Patent US9453048 (2016)


BindingDB Entry DOI: 10.7270/Q2057DV5
More data for this
Ligand-Target Pair
X-linked inhibitor of apoptosis protein BIR3 domain (XIAP BIR-3)


(Homo sapiens (Human))
BDBM249171
PNG
(US9453048, 13 | US9453048, 15)
Show SMILES CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@H](CC1C(=O)N[C@@H]1CCCc2ccccc12)NC(=O)c1ccc(COc2ccc(CN(NC(=O)[C@H](C)NC)C(=O)C3CCC[C@H]3C(=O)NC3CCCc4ccccc34)cc2)cc1)C(C)(C)C
Show InChI InChI=1S/C61H79N9O8/c1-37(62-6)54(71)67-53(61(3,4)5)60(77)69-35-44(33-52(69)58(75)66-51-24-13-18-42-16-9-11-20-47(42)51)64-56(73)43-29-25-40(26-30-43)36-78-45-31-27-39(28-32-45)34-70(68-55(72)38(2)63-7)59(76)49-22-14-21-48(49)57(74)65-50-23-12-17-41-15-8-10-19-46(41)50/h8-11,15-16,19-20,25-32,37-38,44,48-53,62-63H,12-14,17-18,21-24,33-36H2,1-7H3,(H,64,73)(H,65,74)(H,66,75)(H,67,71)(H,68,72)/t37-,38-,44-,48+,49?,50?,51+,52?,53+/m0/s1
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 0.230n/an/an/an/an/a25



Bristol-Myers Squibb Co.

US Patent


Assay Description
Assays were performed in black, flat-bottom, 384-well plates. The final assay volume was 50 μL prepared from additions of N-His-Tb-BIR3(241-356,...


US Patent US9453048 (2016)


BindingDB Entry DOI: 10.7270/Q2057DV5
More data for this
Ligand-Target Pair
X-linked inhibitor of apoptosis protein BIR3 domain (XIAP BIR-3)


(Homo sapiens (Human))
BDBM249169
PNG
(US9453048, 11 | US9453048, 12)
Show SMILES CN[C@@H](C)C(=O)NC(Cc1ccc(OCc2ccc(cc2)C(=O)N[C@H]2CC(N(C2)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)C(=O)N[C@@H]2CCCc3ccccc23)cc1)C(=O)C1CCCC[C@@H]1C(=O)NC1CCCc2ccccc12
Show InChI InChI=1S/C63H82N8O8/c1-38(64-6)57(73)69-53(55(72)49-22-12-13-23-50(49)60(76)67-51-24-14-18-42-16-8-10-20-47(42)51)34-40-28-32-46(33-29-40)79-37-41-26-30-44(31-27-41)59(75)66-45-35-54(61(77)68-52-25-15-19-43-17-9-11-21-48(43)52)71(36-45)62(78)56(63(3,4)5)70-58(74)39(2)65-7/h8-11,16-17,20-21,26-33,38-39,45,49-54,56,64-65H,12-15,18-19,22-25,34-37H2,1-7H3,(H,66,75)(H,67,76)(H,68,77)(H,69,73)(H,70,74)/t38-,39-,45-,49?,50-,51?,52+,53?,54?,56+/m0/s1
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 0.25n/an/an/an/an/a25



Bristol-Myers Squibb Co.

US Patent


Assay Description
Assays were performed in black, flat-bottom, 384-well plates. The final assay volume was 50 μL prepared from additions of N-His-Tb-BIR3(241-356,...


US Patent US9453048 (2016)


BindingDB Entry DOI: 10.7270/Q2057DV5
More data for this
Ligand-Target Pair
X-linked inhibitor of apoptosis protein BIR3 domain (XIAP BIR-3)


(Homo sapiens (Human))
BDBM249175
PNG
(US9453048, 17)
Show SMILES CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@H](CC1C(=O)N[C@@H]1CCCc2ccccc12)NC(=O)c1ccc(COc2ccc(CN(NC(=O)[C@H](C)NC)C(=O)[C@@H]3CCCC[C@H]3C(=O)NC3CCCc4ccccc34)cc2)cc1)C(C)(C)C
Show InChI InChI=1S/C62H81N9O8/c1-38(63-6)55(72)68-54(62(3,4)5)61(78)70-36-45(34-53(70)59(76)67-52-25-15-19-43-17-9-11-21-48(43)52)65-57(74)44-30-26-41(27-31-44)37-79-46-32-28-40(29-33-46)35-71(69-56(73)39(2)64-7)60(77)50-23-13-12-22-49(50)58(75)66-51-24-14-18-42-16-8-10-20-47(42)51/h8-11,16-17,20-21,26-33,38-39,45,49-54,63-64H,12-15,18-19,22-25,34-37H2,1-7H3,(H,65,74)(H,66,75)(H,67,76)(H,68,72)(H,69,73)/t38-,39-,45-,49+,50+,51?,52+,53?,54+/m0/s1
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 0.270n/an/an/an/an/a25



Bristol-Myers Squibb Co.

US Patent


Assay Description
Assays were performed in black, flat-bottom, 384-well plates. The final assay volume was 50 μL prepared from additions of N-His-Tb-BIR3(241-356,...


US Patent US9453048 (2016)


BindingDB Entry DOI: 10.7270/Q2057DV5
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase (XIAP-BIR2)(C202A/C213G)


(Homo sapiens (Human))
BDBM249162
PNG
(US9453048, 3)
Show SMILES CN[C@@H](C)C(=O)N[C@@H](Cc1ccc(OCc2ccc(cc2)C(=O)NC2C[C@H](N(C2)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)C(=O)NC2CCCc3ccccc23)cc1)C(=O)N1CCCCC1C(=O)N[C@@H]1CCCc2ccccc12
Show InChI InChI=1S/C62H81N9O8/c1-38(63-6)55(72)68-51(60(77)70-33-13-12-24-52(70)58(75)66-49-22-14-18-42-16-8-10-20-47(42)49)34-40-27-31-46(32-28-40)79-37-41-25-29-44(30-26-41)57(74)65-45-35-53(59(76)67-50-23-15-19-43-17-9-11-21-48(43)50)71(36-45)61(78)54(62(3,4)5)69-56(73)39(2)64-7/h8-11,16-17,20-21,25-32,38-39,45,49-54,63-64H,12-15,18-19,22-24,33-37H2,1-7H3,(H,65,74)(H,66,75)(H,67,76)(H,68,72)(H,69,73)/t38-,39-,45?,49+,50?,51-,52?,53-,54+/m0/s1
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 0.460n/an/an/an/an/a25



Bristol-Myers Squibb Co.

US Patent


Assay Description
Assays were performed in white, flat-bottom, 384-well ProxiPlates (Perkin Elmer). The final assay volume was 10 μL prepared from additions of Hi...


US Patent US9453048 (2016)


BindingDB Entry DOI: 10.7270/Q2057DV5
More data for this
Ligand-Target Pair
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