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Compile Data Set for Download or QSAR

Found 359 hits Enz. Inhib. hit(s) with all data for entry = 7659   
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
Bcl-2-like protein 1


(Homo sapiens)
BDBM209227
PNG
(US9266877, 173)
Show SMILES Cc1c(cnn1CC1(CCCCCC1)OCC1COCCO1)-c1ccc(nc1C(O)=O)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
Show InChI InChI=1S/C40H44N6O6S/c1-26-31(21-41-46(26)25-40(16-6-2-3-7-17-40)52-24-28-23-50-19-20-51-28)29-13-14-35(43-36(29)38(48)49)45-18-15-27-9-8-10-30(32(27)22-45)37(47)44-39-42-33-11-4-5-12-34(33)53-39/h4-5,8-14,21,28H,2-3,6-7,15-20,22-25H2,1H3,(H,48,49)(H,42,44,47)
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<0.100<-57.1n/an/an/an/an/an/a25



ABBVIE INC.

US Patent


Assay Description
The measurement of competition of compounds of Formula (I) with F-Bak for a Bcl-2 family protein (Bcl-xL) binding site using a Time Resolved Fluoresc...


US Patent US9266877 (2016)


BindingDB Entry DOI: 10.7270/Q2H41Q7V
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens)
BDBM209228
PNG
(US9266877, 174)
Show SMILES Cc1c(cnn1CC1(CCCCC1)OCC(=O)N1CCOCC1)-c1ccc(nc1C(O)=O)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
Show InChI InChI=1S/C40H43N7O6S/c1-26-30(22-41-47(26)25-40(15-5-2-6-16-40)53-24-35(48)45-18-20-52-21-19-45)28-12-13-34(43-36(28)38(50)51)46-17-14-27-8-7-9-29(31(27)23-46)37(49)44-39-42-32-10-3-4-11-33(32)54-39/h3-4,7-13,22H,2,5-6,14-21,23-25H2,1H3,(H,50,51)(H,42,44,49)
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<0.100<-57.1n/an/an/an/an/an/a25



ABBVIE INC.

US Patent


Assay Description
The measurement of competition of compounds of Formula (I) with F-Bak for a Bcl-2 family protein (Bcl-xL) binding site using a Time Resolved Fluoresc...


US Patent US9266877 (2016)


BindingDB Entry DOI: 10.7270/Q2H41Q7V
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens)
BDBM209229
PNG
(US9266877, 175)
Show SMILES Cc1c(cnn1CC1(CCCCCC1)OCC(O)CO)-c1ccc(nc1C(O)=O)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
Show InChI InChI=1S/C38H42N6O6S/c1-24-29(19-39-44(24)23-38(50-22-26(46)21-45)16-6-2-3-7-17-38)27-13-14-33(41-34(27)36(48)49)43-18-15-25-9-8-10-28(30(25)20-43)35(47)42-37-40-31-11-4-5-12-32(31)51-37/h4-5,8-14,19,26,45-46H,2-3,6-7,15-18,20-23H2,1H3,(H,48,49)(H,40,42,47)
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<0.100<-57.1n/an/an/an/an/an/a25



ABBVIE INC.

US Patent


Assay Description
The measurement of competition of compounds of Formula (I) with F-Bak for a Bcl-2 family protein (Bcl-xL) binding site using a Time Resolved Fluoresc...


US Patent US9266877 (2016)


BindingDB Entry DOI: 10.7270/Q2H41Q7V
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens)
BDBM209231
PNG
(US9266877, 177)
Show SMILES CN(C(=O)C1CCCCC1)c1cccc(c1C)-c1ccc(nc1C(O)=O)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
Show InChI InChI=1S/C38H37N5O4S/c1-23-26(13-9-16-31(23)42(2)36(45)25-10-4-3-5-11-25)27-18-19-33(40-34(27)37(46)47)43-21-20-24-12-8-14-28(29(24)22-43)35(44)41-38-39-30-15-6-7-17-32(30)48-38/h6-9,12-19,25H,3-5,10-11,20-22H2,1-2H3,(H,46,47)(H,39,41,44)
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<0.100<-57.1n/an/an/an/an/an/a25



ABBVIE INC.

US Patent


Assay Description
The measurement of competition of compounds of Formula (I) with F-Bak for a Bcl-2 family protein (Bcl-xL) binding site using a Time Resolved Fluoresc...


US Patent US9266877 (2016)


BindingDB Entry DOI: 10.7270/Q2H41Q7V
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens)
BDBM209232
PNG
(US9266877, 178)
Show SMILES Cc1c(cnn1CC1(CCCC(C)(C)C1)OCCS(C)(=O)=O)-c1ccc(nc1C(O)=O)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
Show InChI InChI=1S/C39H44N6O6S2/c1-25-29(21-40-45(25)24-39(51-19-20-53(4,49)50)17-8-16-38(2,3)23-39)27-13-14-33(42-34(27)36(47)48)44-18-15-26-9-7-10-28(30(26)22-44)35(46)43-37-41-31-11-5-6-12-32(31)52-37/h5-7,9-14,21H,8,15-20,22-24H2,1-4H3,(H,47,48)(H,41,43,46)
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<0.100<-57.1n/an/an/an/an/an/a25



ABBVIE INC.

US Patent


Assay Description
The measurement of competition of compounds of Formula (I) with F-Bak for a Bcl-2 family protein (Bcl-xL) binding site using a Time Resolved Fluoresc...


US Patent US9266877 (2016)


BindingDB Entry DOI: 10.7270/Q2H41Q7V
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens)
BDBM209233
PNG
(US9266877, 179)
Show SMILES CN(C(=O)C1(C)CCCCC1)c1cccc(c1C)-c1ccc(nc1C(O)=O)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
Show InChI InChI=1S/C39H39N5O4S/c1-24-26(12-10-15-31(24)43(3)37(48)39(2)20-7-4-8-21-39)27-17-18-33(41-34(27)36(46)47)44-22-19-25-11-9-13-28(29(25)23-44)35(45)42-38-40-30-14-5-6-16-32(30)49-38/h5-6,9-18H,4,7-8,19-23H2,1-3H3,(H,46,47)(H,40,42,45)
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<0.100<-57.1n/an/an/an/an/an/a25



ABBVIE INC.

US Patent


Assay Description
The measurement of competition of compounds of Formula (I) with F-Bak for a Bcl-2 family protein (Bcl-xL) binding site using a Time Resolved Fluoresc...


US Patent US9266877 (2016)


BindingDB Entry DOI: 10.7270/Q2H41Q7V
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens)
BDBM209235
PNG
(US9266877, 181)
Show SMILES CN(c1cccc(-c2ccc(nc2C(O)=O)N2CCc3cccc(C(=O)Nc4nc5ccccc5s4)c3C2)c1C#N)S(=O)(=O)C1CCCCC1
Show InChI InChI=1S/C37H34N6O5S2/c1-42(50(47,48)24-10-3-2-4-11-24)31-15-8-12-25(28(31)21-38)26-17-18-33(40-34(26)36(45)46)43-20-19-23-9-7-13-27(29(23)22-43)35(44)41-37-39-30-14-5-6-16-32(30)49-37/h5-9,12-18,24H,2-4,10-11,19-20,22H2,1H3,(H,45,46)(H,39,41,44)
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<0.100<-57.1n/an/an/an/an/an/a25



ABBVIE INC.

US Patent


Assay Description
The measurement of competition of compounds of Formula (I) with F-Bak for a Bcl-2 family protein (Bcl-xL) binding site using a Time Resolved Fluoresc...


US Patent US9266877 (2016)


BindingDB Entry DOI: 10.7270/Q2H41Q7V
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens)
BDBM209238
PNG
(US9266877, 184)
Show SMILES COCCC(C1CCCCC1)n1ncc(c1C)-c1ccc(nc1C(O)=O)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
Show InChI InChI=1S/C37H40N6O4S/c1-23-28(21-38-43(23)31(18-20-47-2)25-9-4-3-5-10-25)26-15-16-33(40-34(26)36(45)46)42-19-17-24-11-8-12-27(29(24)22-42)35(44)41-37-39-30-13-6-7-14-32(30)48-37/h6-8,11-16,21,25,31H,3-5,9-10,17-20,22H2,1-2H3,(H,45,46)(H,39,41,44)
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<0.100<-57.1n/an/an/an/an/an/a25



ABBVIE INC.

US Patent


Assay Description
The measurement of competition of compounds of Formula (I) with F-Bak for a Bcl-2 family protein (Bcl-xL) binding site using a Time Resolved Fluoresc...


US Patent US9266877 (2016)


BindingDB Entry DOI: 10.7270/Q2H41Q7V
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens)
BDBM209239
PNG
(US9266877, 185)
Show SMILES CNCCOC1(Cn2ncc(c2C)-c2ccc(nc2C(O)=O)N2CCc3cccc(C(=O)Nc4nc5ccccc5s4)c3C2)CCCC(C)(C)C1
Show InChI InChI=1S/C39H45N7O4S/c1-25-29(21-41-46(25)24-39(50-20-18-40-4)17-8-16-38(2,3)23-39)27-13-14-33(43-34(27)36(48)49)45-19-15-26-9-7-10-28(30(26)22-45)35(47)44-37-42-31-11-5-6-12-32(31)51-37/h5-7,9-14,21,40H,8,15-20,22-24H2,1-4H3,(H,48,49)(H,42,44,47)
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<0.100<-57.1n/an/an/an/an/an/a25



ABBVIE INC.

US Patent


Assay Description
The measurement of competition of compounds of Formula (I) with F-Bak for a Bcl-2 family protein (Bcl-xL) binding site using a Time Resolved Fluoresc...


US Patent US9266877 (2016)


BindingDB Entry DOI: 10.7270/Q2H41Q7V
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens)
BDBM209240
PNG
(US9266877, 186)
Show SMILES Cc1c(cnn1CC1(C)CCCC(C)(C)O1)-c1ccc(nc1C(O)=O)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
Show InChI InChI=1S/C36H38N6O4S/c1-22-26(19-37-42(22)21-36(4)17-8-16-35(2,3)46-36)24-13-14-30(39-31(24)33(44)45)41-18-15-23-9-7-10-25(27(23)20-41)32(43)40-34-38-28-11-5-6-12-29(28)47-34/h5-7,9-14,19H,8,15-18,20-21H2,1-4H3,(H,44,45)(H,38,40,43)
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<0.100<-57.1n/an/an/an/an/an/a25



ABBVIE INC.

US Patent


Assay Description
The measurement of competition of compounds of Formula (I) with F-Bak for a Bcl-2 family protein (Bcl-xL) binding site using a Time Resolved Fluoresc...


US Patent US9266877 (2016)


BindingDB Entry DOI: 10.7270/Q2H41Q7V
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens)
BDBM209225
PNG
(US9266877, 171)
Show SMILES Cc1[nH]c(C#N)c(CC2CCCCC2)c1-c1ccc(nc1C(=O)NS(C)(=O)=O)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
Show InChI InChI=1S/C37H37N7O4S2/c1-22-33(27(30(20-38)39-22)19-23-9-4-3-5-10-23)26-15-16-32(41-34(26)36(46)43-50(2,47)48)44-18-17-24-11-8-12-25(28(24)21-44)35(45)42-37-40-29-13-6-7-14-31(29)49-37/h6-8,11-16,23,39H,3-5,9-10,17-19,21H2,1-2H3,(H,43,46)(H,40,42,45)
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<0.100<-57.1n/an/an/an/an/an/a25



ABBVIE INC.

US Patent


Assay Description
The measurement of competition of compounds of Formula (I) with F-Bak for a Bcl-2 family protein (Bcl-xL) binding site using a Time Resolved Fluoresc...


US Patent US9266877 (2016)


BindingDB Entry DOI: 10.7270/Q2H41Q7V
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens)
BDBM209230
PNG
(US9266877, 176)
Show SMILES CN(C)C1(Cn2c(C)c(cc2C#N)-c2ccc(nc2C(O)=O)N2CCc3cccc(C(=O)Nc4nc5ccccc5s4)c3C2)CCCCC1
Show InChI InChI=1S/C38H39N7O3S/c1-24-29(20-26(21-39)45(24)23-38(43(2)3)17-7-4-8-18-38)27-14-15-33(41-34(27)36(47)48)44-19-16-25-10-9-11-28(30(25)22-44)35(46)42-37-40-31-12-5-6-13-32(31)49-37/h5-6,9-15,20H,4,7-8,16-19,22-23H2,1-3H3,(H,47,48)(H,40,42,46)
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<0.100<-57.1n/an/an/an/an/an/a25



ABBVIE INC.

US Patent


Assay Description
The measurement of competition of compounds of Formula (I) with F-Bak for a Bcl-2 family protein (Bcl-xL) binding site using a Time Resolved Fluoresc...


US Patent US9266877 (2016)


BindingDB Entry DOI: 10.7270/Q2H41Q7V
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens)
BDBM209156
PNG
(US9266877, 102)
Show SMILES OC(=O)c1nc(ccc1-c1ccc(Oc2ccccc2)cc1)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
Show InChI InChI=1S/C35H26N4O4S/c40-33(38-35-36-29-11-4-5-12-30(29)44-35)27-10-6-7-22-19-20-39(21-28(22)27)31-18-17-26(32(37-31)34(41)42)23-13-15-25(16-14-23)43-24-8-2-1-3-9-24/h1-18H,19-21H2,(H,41,42)(H,36,38,40)
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<0.100<-57.1n/an/an/an/an/an/a25



ABBVIE INC.

US Patent


Assay Description
The measurement of competition of compounds of Formula (I) with F-Bak for a Bcl-2 family protein (Bcl-xL) binding site using a Time Resolved Fluoresc...


US Patent US9266877 (2016)


BindingDB Entry DOI: 10.7270/Q2H41Q7V
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens)
BDBM209160
PNG
(US9266877, 106)
Show SMILES OC(=O)c1nc(ccc1-c1cccc(Cc2ccccc2)c1)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
Show InChI InChI=1S/C36H28N4O3S/c41-34(39-36-37-30-14-4-5-15-31(30)44-36)28-13-7-11-25-18-19-40(22-29(25)28)32-17-16-27(33(38-32)35(42)43)26-12-6-10-24(21-26)20-23-8-2-1-3-9-23/h1-17,21H,18-20,22H2,(H,42,43)(H,37,39,41)
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0.100 -57.1n/an/an/an/an/an/a25



ABBVIE INC.

US Patent


Assay Description
The measurement of competition of compounds of Formula (I) with F-Bak for a Bcl-2 family protein (Bcl-xL) binding site using a Time Resolved Fluoresc...


US Patent US9266877 (2016)


BindingDB Entry DOI: 10.7270/Q2H41Q7V
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens)
BDBM209170
PNG
(US9266877, 116)
Show SMILES OC(=O)c1nc(ccc1-c1cccc(OC2CCCCC2)c1C#N)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
Show InChI InChI=1S/C36H31N5O4S/c37-20-27-24(11-7-14-30(27)45-23-9-2-1-3-10-23)25-16-17-32(39-33(25)35(43)44)41-19-18-22-8-6-12-26(28(22)21-41)34(42)40-36-38-29-13-4-5-15-31(29)46-36/h4-8,11-17,23H,1-3,9-10,18-19,21H2,(H,43,44)(H,38,40,42)
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<0.100<-57.1n/an/an/an/an/an/a25



ABBVIE INC.

US Patent


Assay Description
The measurement of competition of compounds of Formula (I) with F-Bak for a Bcl-2 family protein (Bcl-xL) binding site using a Time Resolved Fluoresc...


US Patent US9266877 (2016)


BindingDB Entry DOI: 10.7270/Q2H41Q7V
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens)
BDBM209171
PNG
(US9266877, 117)
Show SMILES OC(=O)c1nc(ccc1-c1cccc(OC2CCCCC2)c1Cl)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
Show InChI InChI=1S/C35H31ClN4O4S/c36-31-23(11-7-14-28(31)44-22-9-2-1-3-10-22)24-16-17-30(38-32(24)34(42)43)40-19-18-21-8-6-12-25(26(21)20-40)33(41)39-35-37-27-13-4-5-15-29(27)45-35/h4-8,11-17,22H,1-3,9-10,18-20H2,(H,42,43)(H,37,39,41)
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<0.100<-57.1n/an/an/an/an/an/a25



ABBVIE INC.

US Patent


Assay Description
The measurement of competition of compounds of Formula (I) with F-Bak for a Bcl-2 family protein (Bcl-xL) binding site using a Time Resolved Fluoresc...


US Patent US9266877 (2016)


BindingDB Entry DOI: 10.7270/Q2H41Q7V
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens)
BDBM209173
PNG
(US9266877, 119)
Show SMILES OC(=O)c1nc(ccc1-c1cccc(OC2CCCCC2)c1F)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
Show InChI InChI=1S/C35H31FN4O4S/c36-31-23(11-7-14-28(31)44-22-9-2-1-3-10-22)24-16-17-30(38-32(24)34(42)43)40-19-18-21-8-6-12-25(26(21)20-40)33(41)39-35-37-27-13-4-5-15-29(27)45-35/h4-8,11-17,22H,1-3,9-10,18-20H2,(H,42,43)(H,37,39,41)
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<0.100<-57.1n/an/an/an/an/an/a25



ABBVIE INC.

US Patent


Assay Description
The measurement of competition of compounds of Formula (I) with F-Bak for a Bcl-2 family protein (Bcl-xL) binding site using a Time Resolved Fluoresc...


US Patent US9266877 (2016)


BindingDB Entry DOI: 10.7270/Q2H41Q7V
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens)
BDBM209175
PNG
(US9266877, 121)
Show SMILES Cc1c(OC2CCCC(C)(C)C2)cccc1-c1ccc(nc1C(O)=O)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
Show InChI InChI=1S/C38H38N4O4S/c1-23-26(11-7-14-31(23)46-25-10-8-19-38(2,3)21-25)27-16-17-33(40-34(27)36(44)45)42-20-18-24-9-6-12-28(29(24)22-42)35(43)41-37-39-30-13-4-5-15-32(30)47-37/h4-7,9,11-17,25H,8,10,18-22H2,1-3H3,(H,44,45)(H,39,41,43)
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0.100 -57.1n/an/an/an/an/an/a25



ABBVIE INC.

US Patent


Assay Description
The measurement of competition of compounds of Formula (I) with F-Bak for a Bcl-2 family protein (Bcl-xL) binding site using a Time Resolved Fluoresc...


US Patent US9266877 (2016)


BindingDB Entry DOI: 10.7270/Q2H41Q7V
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens)
BDBM209177
PNG
(US9266877, 123)
Show SMILES CCOC(=O)c1cc(c(C)n1Cc1ccccc1)-c1ccc(nc1C(O)=O)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
Show InChI InChI=1S/C38H33N5O5S/c1-3-48-37(47)31-20-28(23(2)43(31)21-24-10-5-4-6-11-24)26-16-17-33(40-34(26)36(45)46)42-19-18-25-12-9-13-27(29(25)22-42)35(44)41-38-39-30-14-7-8-15-32(30)49-38/h4-17,20H,3,18-19,21-22H2,1-2H3,(H,45,46)(H,39,41,44)
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<0.100<-57.1n/an/an/an/an/an/a25



ABBVIE INC.

US Patent


Assay Description
The measurement of competition of compounds of Formula (I) with F-Bak for a Bcl-2 family protein (Bcl-xL) binding site using a Time Resolved Fluoresc...


US Patent US9266877 (2016)


BindingDB Entry DOI: 10.7270/Q2H41Q7V
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens)
BDBM209178
PNG
(US9266877, 124)
Show SMILES Cc1c(cc(C(O)=O)n1Cc1ccccc1)-c1ccc(nc1C(O)=O)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
Show InChI InChI=1S/C36H29N5O5S/c1-21-26(18-29(34(43)44)41(21)19-22-8-3-2-4-9-22)24-14-15-31(38-32(24)35(45)46)40-17-16-23-10-7-11-25(27(23)20-40)33(42)39-36-37-28-12-5-6-13-30(28)47-36/h2-15,18H,16-17,19-20H2,1H3,(H,43,44)(H,45,46)(H,37,39,42)
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<0.100<-57.1n/an/an/an/an/an/a25



ABBVIE INC.

US Patent


Assay Description
The measurement of competition of compounds of Formula (I) with F-Bak for a Bcl-2 family protein (Bcl-xL) binding site using a Time Resolved Fluoresc...


US Patent US9266877 (2016)


BindingDB Entry DOI: 10.7270/Q2H41Q7V
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens)
BDBM209183
PNG
(US9266877, 129)
Show SMILES Cc1c(cc(C#N)n1Cc1ccccc1)-c1ccc(nc1C(O)=O)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
Show InChI InChI=1S/C36H28N6O3S/c1-22-28(18-25(19-37)42(22)20-23-8-3-2-4-9-23)26-14-15-32(39-33(26)35(44)45)41-17-16-24-10-7-11-27(29(24)21-41)34(43)40-36-38-30-12-5-6-13-31(30)46-36/h2-15,18H,16-17,20-21H2,1H3,(H,44,45)(H,38,40,43)
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<0.100<-57.1n/an/an/an/an/an/a25



ABBVIE INC.

US Patent


Assay Description
The measurement of competition of compounds of Formula (I) with F-Bak for a Bcl-2 family protein (Bcl-xL) binding site using a Time Resolved Fluoresc...


US Patent US9266877 (2016)


BindingDB Entry DOI: 10.7270/Q2H41Q7V
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens)
BDBM209184
PNG
(US9266877, 130)
Show SMILES Cc1c(cc(C#N)n1CC1CCCCC1)-c1ccc(nc1C(O)=O)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
Show InChI InChI=1S/C36H34N6O3S/c1-22-28(18-25(19-37)42(22)20-23-8-3-2-4-9-23)26-14-15-32(39-33(26)35(44)45)41-17-16-24-10-7-11-27(29(24)21-41)34(43)40-36-38-30-12-5-6-13-31(30)46-36/h5-7,10-15,18,23H,2-4,8-9,16-17,20-21H2,1H3,(H,44,45)(H,38,40,43)
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<0.100<-57.1n/an/an/an/an/an/a25



ABBVIE INC.

US Patent


Assay Description
The measurement of competition of compounds of Formula (I) with F-Bak for a Bcl-2 family protein (Bcl-xL) binding site using a Time Resolved Fluoresc...


US Patent US9266877 (2016)


BindingDB Entry DOI: 10.7270/Q2H41Q7V
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens)
BDBM209185
PNG
(US9266877, 131)
Show SMILES CC1CCC(CC1(Cn1ccc(c1)-c1ccc(nc1C(O)=O)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1)N1CCCCC1)C#N
Show InChI InChI=1S/C41H43N7O3S/c1-27-12-13-28(23-42)22-41(27,48-18-5-2-6-19-48)26-46-20-16-30(24-46)31-14-15-36(44-37(31)39(50)51)47-21-17-29-8-7-9-32(33(29)25-47)38(49)45-40-43-34-10-3-4-11-35(34)52-40/h3-4,7-11,14-16,20,24,27-28H,2,5-6,12-13,17-19,21-22,25-26H2,1H3,(H,50,51)(H,43,45,49)
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<0.100<-57.1n/an/an/an/an/an/a25



ABBVIE INC.

US Patent


Assay Description
The measurement of competition of compounds of Formula (I) with F-Bak for a Bcl-2 family protein (Bcl-xL) binding site using a Time Resolved Fluoresc...


US Patent US9266877 (2016)


BindingDB Entry DOI: 10.7270/Q2H41Q7V
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens)
BDBM209188
PNG
(US9266877, 134)
Show SMILES COCCC1(Cn2ncc(c2C)-c2ccc(nc2C(O)=O)N2CCc3cccc(C(=O)Nc4nc5ccccc5s4)c3C2)CCCCCC1
Show InChI InChI=1S/C38H42N6O4S/c1-25-29(22-39-44(25)24-38(19-21-48-2)17-7-3-4-8-18-38)27-14-15-33(41-34(27)36(46)47)43-20-16-26-10-9-11-28(30(26)23-43)35(45)42-37-40-31-12-5-6-13-32(31)49-37/h5-6,9-15,22H,3-4,7-8,16-21,23-24H2,1-2H3,(H,46,47)(H,40,42,45)
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<0.100<-57.1n/an/an/an/an/an/a25



ABBVIE INC.

US Patent


Assay Description
The measurement of competition of compounds of Formula (I) with F-Bak for a Bcl-2 family protein (Bcl-xL) binding site using a Time Resolved Fluoresc...


US Patent US9266877 (2016)


BindingDB Entry DOI: 10.7270/Q2H41Q7V
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens)
BDBM209192
PNG
(US9266877, 138)
Show SMILES Cc1c(OC2CCCCC2)nccc1-c1ccc(nc1C(O)=O)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
Show InChI InChI=1S/C35H33N5O4S/c1-21-24(16-18-36-33(21)44-23-9-3-2-4-10-23)25-14-15-30(38-31(25)34(42)43)40-19-17-22-8-7-11-26(27(22)20-40)32(41)39-35-37-28-12-5-6-13-29(28)45-35/h5-8,11-16,18,23H,2-4,9-10,17,19-20H2,1H3,(H,42,43)(H,37,39,41)
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<0.100<-57.1n/an/an/an/an/an/a25



ABBVIE INC.

US Patent


Assay Description
The measurement of competition of compounds of Formula (I) with F-Bak for a Bcl-2 family protein (Bcl-xL) binding site using a Time Resolved Fluoresc...


US Patent US9266877 (2016)


BindingDB Entry DOI: 10.7270/Q2H41Q7V
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens)
BDBM209197
PNG
(US9266877, 143)
Show SMILES CN(c1ccccc1)c1nccc(c1C)-c1ccc(nc1C(O)=O)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
Show InChI InChI=1S/C36H30N6O3S/c1-22-25(17-19-37-33(22)41(2)24-10-4-3-5-11-24)26-15-16-31(39-32(26)35(44)45)42-20-18-23-9-8-12-27(28(23)21-42)34(43)40-36-38-29-13-6-7-14-30(29)46-36/h3-17,19H,18,20-21H2,1-2H3,(H,44,45)(H,38,40,43)
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<0.100<-57.1n/an/an/an/an/an/a25



ABBVIE INC.

US Patent


Assay Description
The measurement of competition of compounds of Formula (I) with F-Bak for a Bcl-2 family protein (Bcl-xL) binding site using a Time Resolved Fluoresc...


US Patent US9266877 (2016)


BindingDB Entry DOI: 10.7270/Q2H41Q7V
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens)
BDBM209198
PNG
(US9266877, 144)
Show SMILES COCC1(Cn2ncc(c2C)-c2ccc(nc2C(O)=O)N2CCc3cccc(C(=O)Nc4nc5ccccc5s4)c3C2)CCCCC1
Show InChI InChI=1S/C36H38N6O4S/c1-23-27(19-37-42(23)21-36(22-46-2)16-6-3-7-17-36)25-13-14-31(39-32(25)34(44)45)41-18-15-24-9-8-10-26(28(24)20-41)33(43)40-35-38-29-11-4-5-12-30(29)47-35/h4-5,8-14,19H,3,6-7,15-18,20-22H2,1-2H3,(H,44,45)(H,38,40,43)
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<0.100<-57.1n/an/an/an/an/an/a25



ABBVIE INC.

US Patent


Assay Description
The measurement of competition of compounds of Formula (I) with F-Bak for a Bcl-2 family protein (Bcl-xL) binding site using a Time Resolved Fluoresc...


US Patent US9266877 (2016)


BindingDB Entry DOI: 10.7270/Q2H41Q7V
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens)
BDBM209199
PNG
(US9266877, 145)
Show SMILES Cc1c(cnn1CC1(CCCC(C)(C)C1)N1CCOCC1)-c1ccc(nc1C(O)=O)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
Show InChI InChI=1S/C40H45N7O4S/c1-26-30(22-41-47(26)25-40(46-18-20-51-21-19-46)16-7-15-39(2,3)24-40)28-12-13-34(43-35(28)37(49)50)45-17-14-27-8-6-9-29(31(27)23-45)36(48)44-38-42-32-10-4-5-11-33(32)52-38/h4-6,8-13,22H,7,14-21,23-25H2,1-3H3,(H,49,50)(H,42,44,48)
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<0.100<-57.1n/an/an/an/an/an/a25



ABBVIE INC.

US Patent


Assay Description
The measurement of competition of compounds of Formula (I) with F-Bak for a Bcl-2 family protein (Bcl-xL) binding site using a Time Resolved Fluoresc...


US Patent US9266877 (2016)


BindingDB Entry DOI: 10.7270/Q2H41Q7V
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens)
BDBM209200
PNG
(US9266877, 146)
Show SMILES COCCC1(Cn2ncc(c2C)-c2ccc(nc2C(O)=O)N2CCc3cccc(C(=O)Nc4nc5ccccc5s4)c3C2)CCCC(C)(C)C1
Show InChI InChI=1S/C39H44N6O4S/c1-25-29(21-40-45(25)24-39(18-20-49-4)17-8-16-38(2,3)23-39)27-13-14-33(42-34(27)36(47)48)44-19-15-26-9-7-10-28(30(26)22-44)35(46)43-37-41-31-11-5-6-12-32(31)50-37/h5-7,9-14,21H,8,15-20,22-24H2,1-4H3,(H,47,48)(H,41,43,46)
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<0.100<-57.1n/an/an/an/an/an/a25



ABBVIE INC.

US Patent


Assay Description
The measurement of competition of compounds of Formula (I) with F-Bak for a Bcl-2 family protein (Bcl-xL) binding site using a Time Resolved Fluoresc...


US Patent US9266877 (2016)


BindingDB Entry DOI: 10.7270/Q2H41Q7V
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens)
BDBM209201
PNG
(US9266877, 147)
Show SMILES COCCCC1(Cn2ncc(c2C)-c2ccc(nc2C(O)=O)N2CCc3cccc(C(=O)Nc4nc5ccccc5s4)c3C2)CCCCCC1
Show InChI InChI=1S/C39H44N6O4S/c1-26-30(23-40-45(26)25-39(20-10-22-49-2)18-7-3-4-8-19-39)28-15-16-34(42-35(28)37(47)48)44-21-17-27-11-9-12-29(31(27)24-44)36(46)43-38-41-32-13-5-6-14-33(32)50-38/h5-6,9,11-16,23H,3-4,7-8,10,17-22,24-25H2,1-2H3,(H,47,48)(H,41,43,46)
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<0.100<-57.1n/an/an/an/an/an/a25



ABBVIE INC.

US Patent


Assay Description
The measurement of competition of compounds of Formula (I) with F-Bak for a Bcl-2 family protein (Bcl-xL) binding site using a Time Resolved Fluoresc...


US Patent US9266877 (2016)


BindingDB Entry DOI: 10.7270/Q2H41Q7V
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens)
BDBM209202
PNG
(US9266877, 148)
Show SMILES COCCC1(Cn2ncc(c2C)-c2ccc(nc2C(=O)NS(C)(=O)=O)N2CCc3cccc(C(=O)Nc4nc5ccccc5s4)c3C2)CCCCCC1
Show InChI InChI=1S/C39H45N7O5S2/c1-26-30(23-40-46(26)25-39(20-22-51-2)18-8-4-5-9-19-39)28-15-16-34(42-35(28)37(48)44-53(3,49)50)45-21-17-27-11-10-12-29(31(27)24-45)36(47)43-38-41-32-13-6-7-14-33(32)52-38/h6-7,10-16,23H,4-5,8-9,17-22,24-25H2,1-3H3,(H,44,48)(H,41,43,47)
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<0.100<-57.1n/an/an/an/an/an/a25



ABBVIE INC.

US Patent


Assay Description
The measurement of competition of compounds of Formula (I) with F-Bak for a Bcl-2 family protein (Bcl-xL) binding site using a Time Resolved Fluoresc...


US Patent US9266877 (2016)


BindingDB Entry DOI: 10.7270/Q2H41Q7V
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens)
BDBM209205
PNG
(US9266877, 151)
Show SMILES COCCOC1(Cn2ncc(c2C)-c2ccc(nc2C(O)=O)N2CCc3cccc(C(=O)Nc4nc5ccccc5s4)c3C2)CCCCCC1
Show InChI InChI=1S/C38H42N6O5S/c1-25-29(22-39-44(25)24-38(49-21-20-48-2)17-7-3-4-8-18-38)27-14-15-33(41-34(27)36(46)47)43-19-16-26-10-9-11-28(30(26)23-43)35(45)42-37-40-31-12-5-6-13-32(31)50-37/h5-6,9-15,22H,3-4,7-8,16-21,23-24H2,1-2H3,(H,46,47)(H,40,42,45)
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<0.100<-57.1n/an/an/an/an/an/a25



ABBVIE INC.

US Patent


Assay Description
The measurement of competition of compounds of Formula (I) with F-Bak for a Bcl-2 family protein (Bcl-xL) binding site using a Time Resolved Fluoresc...


US Patent US9266877 (2016)


BindingDB Entry DOI: 10.7270/Q2H41Q7V
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens)
BDBM209206
PNG
(US9266877, 152)
Show SMILES Cc1c(cnn1C(CCN1CCOCC1)C1CCCCC1)-c1ccc(nc1C(O)=O)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
Show InChI InChI=1S/C40H45N7O4S/c1-26-31(24-41-47(26)34(28-8-3-2-4-9-28)17-18-45-20-22-51-23-21-45)29-14-15-36(43-37(29)39(49)50)46-19-16-27-10-7-11-30(32(27)25-46)38(48)44-40-42-33-12-5-6-13-35(33)52-40/h5-7,10-15,24,28,34H,2-4,8-9,16-23,25H2,1H3,(H,49,50)(H,42,44,48)
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<0.100<-57.1n/an/an/an/an/an/a25



ABBVIE INC.

US Patent


Assay Description
The measurement of competition of compounds of Formula (I) with F-Bak for a Bcl-2 family protein (Bcl-xL) binding site using a Time Resolved Fluoresc...


US Patent US9266877 (2016)


BindingDB Entry DOI: 10.7270/Q2H41Q7V
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens)
BDBM209208
PNG
(US9266877, 154)
Show SMILES Cc1c(cnn1CC1CCCCO1)-c1ccc(nc1C(O)=O)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
Show InChI InChI=1S/C33H32N6O4S/c1-20-25(17-34-39(20)18-22-8-4-5-16-43-22)23-12-13-29(36-30(23)32(41)42)38-15-14-21-7-6-9-24(26(21)19-38)31(40)37-33-35-27-10-2-3-11-28(27)44-33/h2-3,6-7,9-13,17,22H,4-5,8,14-16,18-19H2,1H3,(H,41,42)(H,35,37,40)
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<0.100<-57.1n/an/an/an/an/an/a25



ABBVIE INC.

US Patent


Assay Description
The measurement of competition of compounds of Formula (I) with F-Bak for a Bcl-2 family protein (Bcl-xL) binding site using a Time Resolved Fluoresc...


US Patent US9266877 (2016)


BindingDB Entry DOI: 10.7270/Q2H41Q7V
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens)
BDBM209209
PNG
(US9266877, 155)
Show SMILES Cc1c(cnn1CC1(CCCCCC1)OCCCN1CCOCC1)-c1ccc(nc1C(O)=O)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
Show InChI InChI=1S/C42H49N7O5S/c1-29-33(26-43-49(29)28-42(17-6-2-3-7-18-42)54-23-9-19-47-21-24-53-25-22-47)31-14-15-37(45-38(31)40(51)52)48-20-16-30-10-8-11-32(34(30)27-48)39(50)46-41-44-35-12-4-5-13-36(35)55-41/h4-5,8,10-15,26H,2-3,6-7,9,16-25,27-28H2,1H3,(H,51,52)(H,44,46,50)
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<0.100<-57.1n/an/an/an/an/an/a25



ABBVIE INC.

US Patent


Assay Description
The measurement of competition of compounds of Formula (I) with F-Bak for a Bcl-2 family protein (Bcl-xL) binding site using a Time Resolved Fluoresc...


US Patent US9266877 (2016)


BindingDB Entry DOI: 10.7270/Q2H41Q7V
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens)
BDBM209211
PNG
(US9266877, 157)
Show SMILES COC1(Cn2ncc(c2C)-c2ccc(nc2C(O)=O)N2CCc3cccc(C(=O)Nc4nc5ccccc5s4)c3C2)CCCC(C)(C)C1
Show InChI InChI=1S/C37H40N6O4S/c1-23-27(19-38-43(23)22-37(47-4)17-8-16-36(2,3)21-37)25-13-14-31(40-32(25)34(45)46)42-18-15-24-9-7-10-26(28(24)20-42)33(44)41-35-39-29-11-5-6-12-30(29)48-35/h5-7,9-14,19H,8,15-18,20-22H2,1-4H3,(H,45,46)(H,39,41,44)
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<0.100<-57.1n/an/an/an/an/an/a25



ABBVIE INC.

US Patent


Assay Description
The measurement of competition of compounds of Formula (I) with F-Bak for a Bcl-2 family protein (Bcl-xL) binding site using a Time Resolved Fluoresc...


US Patent US9266877 (2016)


BindingDB Entry DOI: 10.7270/Q2H41Q7V
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens)
BDBM209212
PNG
(US9266877, 158)
Show SMILES Cc1nn(C[C@@H]2CC[C@H]3C[C@@H](C2)C3(C)C)cc1-c1ccc(nc1C(O)=O)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
Show InChI InChI=1S/C38H40N6O3S/c1-22-29(21-44(42-22)19-23-11-12-25-18-26(17-23)38(25,2)3)27-13-14-33(40-34(27)36(46)47)43-16-15-24-7-6-8-28(30(24)20-43)35(45)41-37-39-31-9-4-5-10-32(31)48-37/h4-10,13-14,21,23,25-26H,11-12,15-20H2,1-3H3,(H,46,47)(H,39,41,45)/t23-,25+,26-/m1/s1
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<0.100<-57.1n/an/an/an/an/an/a25



ABBVIE INC.

US Patent


Assay Description
The measurement of competition of compounds of Formula (I) with F-Bak for a Bcl-2 family protein (Bcl-xL) binding site using a Time Resolved Fluoresc...


US Patent US9266877 (2016)


BindingDB Entry DOI: 10.7270/Q2H41Q7V
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens)
BDBM209214
PNG
(US9266877, 160)
Show SMILES Cc1c(cnn1CC1(CCCCC1)N1CCOCC1)-c1ccc(nc1C(O)=O)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
Show InChI InChI=1S/C38H41N7O4S/c1-25-29(22-39-45(25)24-38(15-5-2-6-16-38)44-18-20-49-21-19-44)27-12-13-33(41-34(27)36(47)48)43-17-14-26-8-7-9-28(30(26)23-43)35(46)42-37-40-31-10-3-4-11-32(31)50-37/h3-4,7-13,22H,2,5-6,14-21,23-24H2,1H3,(H,47,48)(H,40,42,46)
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<0.100<-57.1n/an/an/an/an/an/a25



ABBVIE INC.

US Patent


Assay Description
The measurement of competition of compounds of Formula (I) with F-Bak for a Bcl-2 family protein (Bcl-xL) binding site using a Time Resolved Fluoresc...


US Patent US9266877 (2016)


BindingDB Entry DOI: 10.7270/Q2H41Q7V
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens)
BDBM209215
PNG
(US9266877, 161)
Show SMILES CN(Cc1nccc(c1C)-c1ccc(nc1C(O)=O)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1)C1CCCCC1
Show InChI InChI=1S/C37H38N6O3S/c1-23-26(17-19-38-31(23)22-42(2)25-10-4-3-5-11-25)27-15-16-33(40-34(27)36(45)46)43-20-18-24-9-8-12-28(29(24)21-43)35(44)41-37-39-30-13-6-7-14-32(30)47-37/h6-9,12-17,19,25H,3-5,10-11,18,20-22H2,1-2H3,(H,45,46)(H,39,41,44)
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<0.100<-57.1n/an/an/an/an/an/a25



ABBVIE INC.

US Patent


Assay Description
The measurement of competition of compounds of Formula (I) with F-Bak for a Bcl-2 family protein (Bcl-xL) binding site using a Time Resolved Fluoresc...


US Patent US9266877 (2016)


BindingDB Entry DOI: 10.7270/Q2H41Q7V
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens)
BDBM209216
PNG
(US9266877, 162)
Show SMILES COC1(Cn2ncc(c2C)-c2ccc(nc2C(=O)NS(C)(=O)=O)N2CCc3cccc(C(=O)Nc4nc5ccccc5s4)c3C2)CCCC(C)(C)C1
Show InChI InChI=1S/C38H43N7O5S2/c1-24-28(20-39-45(24)23-38(50-4)18-9-17-37(2,3)22-38)26-14-15-32(41-33(26)35(47)43-52(5,48)49)44-19-16-25-10-8-11-27(29(25)21-44)34(46)42-36-40-30-12-6-7-13-31(30)51-36/h6-8,10-15,20H,9,16-19,21-23H2,1-5H3,(H,43,47)(H,40,42,46)
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<0.100<-57.1n/an/an/an/an/an/a25



ABBVIE INC.

US Patent


Assay Description
The measurement of competition of compounds of Formula (I) with F-Bak for a Bcl-2 family protein (Bcl-xL) binding site using a Time Resolved Fluoresc...


US Patent US9266877 (2016)


BindingDB Entry DOI: 10.7270/Q2H41Q7V
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens)
BDBM209218
PNG
(US9266877, 164)
Show SMILES CN(C1CCCCC1)c1nccc(-c2ccc(nc2C(O)=O)N2CCc3cccc(C(=O)Nc4nc5ccccc5s4)c3C2)c1C#N
Show InChI InChI=1S/C36H33N7O3S/c1-42(23-9-3-2-4-10-23)33-27(20-37)24(16-18-38-33)25-14-15-31(40-32(25)35(45)46)43-19-17-22-8-7-11-26(28(22)21-43)34(44)41-36-39-29-12-5-6-13-30(29)47-36/h5-8,11-16,18,23H,2-4,9-10,17,19,21H2,1H3,(H,45,46)(H,39,41,44)
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<0.100<-57.1n/an/an/an/an/an/a25



ABBVIE INC.

US Patent


Assay Description
The measurement of competition of compounds of Formula (I) with F-Bak for a Bcl-2 family protein (Bcl-xL) binding site using a Time Resolved Fluoresc...


US Patent US9266877 (2016)


BindingDB Entry DOI: 10.7270/Q2H41Q7V
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens)
BDBM209219
PNG
(US9266877, 165)
Show SMILES COC1(Cn2ncc(c2C)-c2ccc(nc2C(O)=O)N2CCc3cccc(C(=O)Nc4nc5ccccc5s4)c3C2)CCCCC1
Show InChI InChI=1S/C35H36N6O4S/c1-22-26(19-36-41(22)21-35(45-2)16-6-3-7-17-35)24-13-14-30(38-31(24)33(43)44)40-18-15-23-9-8-10-25(27(23)20-40)32(42)39-34-37-28-11-4-5-12-29(28)46-34/h4-5,8-14,19H,3,6-7,15-18,20-21H2,1-2H3,(H,43,44)(H,37,39,42)
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<0.100<-57.1n/an/an/an/an/an/a25



ABBVIE INC.

US Patent


Assay Description
The measurement of competition of compounds of Formula (I) with F-Bak for a Bcl-2 family protein (Bcl-xL) binding site using a Time Resolved Fluoresc...


US Patent US9266877 (2016)


BindingDB Entry DOI: 10.7270/Q2H41Q7V
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens)
BDBM209220
PNG
(US9266877, 166)
Show SMILES COC1(Cn2nnc(c2C)-c2ccc(nc2C(O)=O)N2CCc3cccc(C(=O)Nc4nc5ccccc5s4)c3C2)CCCC(C)(C)C1
Show InChI InChI=1S/C36H39N7O4S/c1-22-30(40-41-43(22)21-36(47-4)17-8-16-35(2,3)20-36)25-13-14-29(38-31(25)33(45)46)42-18-15-23-9-7-10-24(26(23)19-42)32(44)39-34-37-27-11-5-6-12-28(27)48-34/h5-7,9-14H,8,15-21H2,1-4H3,(H,45,46)(H,37,39,44)
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<0.100<-57.1n/an/an/an/an/an/a25



ABBVIE INC.

US Patent


Assay Description
The measurement of competition of compounds of Formula (I) with F-Bak for a Bcl-2 family protein (Bcl-xL) binding site using a Time Resolved Fluoresc...


US Patent US9266877 (2016)


BindingDB Entry DOI: 10.7270/Q2H41Q7V
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens)
BDBM209221
PNG
(US9266877, 167)
Show SMILES Cc1c(cnn1CC1(CCCCC1)OCCN1CCS(=O)(=O)CC1)-c1ccc(nc1C(O)=O)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
Show InChI InChI=1S/C40H45N7O6S2/c1-27-31(24-41-47(27)26-40(15-5-2-6-16-40)53-21-18-45-19-22-55(51,52)23-20-45)29-12-13-35(43-36(29)38(49)50)46-17-14-28-8-7-9-30(32(28)25-46)37(48)44-39-42-33-10-3-4-11-34(33)54-39/h3-4,7-13,24H,2,5-6,14-23,25-26H2,1H3,(H,49,50)(H,42,44,48)
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<0.100<-57.1n/an/an/an/an/an/a25



ABBVIE INC.

US Patent


Assay Description
The measurement of competition of compounds of Formula (I) with F-Bak for a Bcl-2 family protein (Bcl-xL) binding site using a Time Resolved Fluoresc...


US Patent US9266877 (2016)


BindingDB Entry DOI: 10.7270/Q2H41Q7V
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens)
BDBM209222
PNG
(US9266877, 168)
Show SMILES Cc1c(cc(C#N)n1CC1(CCCCC1)N1CCOCC1)-c1ccc(nc1C(O)=O)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
Show InChI InChI=1S/C40H41N7O4S/c1-26-31(22-28(23-41)47(26)25-40(15-5-2-6-16-40)46-18-20-51-21-19-46)29-12-13-35(43-36(29)38(49)50)45-17-14-27-8-7-9-30(32(27)24-45)37(48)44-39-42-33-10-3-4-11-34(33)52-39/h3-4,7-13,22H,2,5-6,14-21,24-25H2,1H3,(H,49,50)(H,42,44,48)
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<0.100<-57.1n/an/an/an/an/an/a25



ABBVIE INC.

US Patent


Assay Description
The measurement of competition of compounds of Formula (I) with F-Bak for a Bcl-2 family protein (Bcl-xL) binding site using a Time Resolved Fluoresc...


US Patent US9266877 (2016)


BindingDB Entry DOI: 10.7270/Q2H41Q7V
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens)
BDBM209223
PNG
(US9266877, 169)
Show SMILES Cc1c(cnn1CC1(CCCCC1)OCCO)-c1ccc(nc1C(O)=O)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
Show InChI InChI=1S/C36H38N6O5S/c1-23-27(20-37-42(23)22-36(47-19-18-43)15-5-2-6-16-36)25-12-13-31(39-32(25)34(45)46)41-17-14-24-8-7-9-26(28(24)21-41)33(44)40-35-38-29-10-3-4-11-30(29)48-35/h3-4,7-13,20,43H,2,5-6,14-19,21-22H2,1H3,(H,45,46)(H,38,40,44)
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<0.100<-57.1n/an/an/an/an/an/a25



ABBVIE INC.

US Patent


Assay Description
The measurement of competition of compounds of Formula (I) with F-Bak for a Bcl-2 family protein (Bcl-xL) binding site using a Time Resolved Fluoresc...


US Patent US9266877 (2016)


BindingDB Entry DOI: 10.7270/Q2H41Q7V
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens)
BDBM209224
PNG
(US9266877, 170)
Show SMILES COCC(COC1(Cn2ncc(c2C)-c2ccc(nc2C(O)=O)N2CCc3cccc(C(=O)Nc4nc5ccccc5s4)c3C2)CCCCCC1)OC
Show InChI InChI=1S/C40H46N6O6S/c1-26-31(21-41-46(26)25-40(18-8-4-5-9-19-40)52-24-28(51-3)23-50-2)29-15-16-35(43-36(29)38(48)49)45-20-17-27-11-10-12-30(32(27)22-45)37(47)44-39-42-33-13-6-7-14-34(33)53-39/h6-7,10-16,21,28H,4-5,8-9,17-20,22-25H2,1-3H3,(H,48,49)(H,42,44,47)
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<0.100<-57.1n/an/an/an/an/an/a25



ABBVIE INC.

US Patent


Assay Description
The measurement of competition of compounds of Formula (I) with F-Bak for a Bcl-2 family protein (Bcl-xL) binding site using a Time Resolved Fluoresc...


US Patent US9266877 (2016)


BindingDB Entry DOI: 10.7270/Q2H41Q7V
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens)
BDBM209226
PNG
(US9266877, 172)
Show SMILES COCCOC1(Cn2c(C)c(cc2C#N)-c2ccc(nc2C(O)=O)N2CCc3cccc(C(=O)Nc4nc5ccccc5s4)c3C2)CCCCCC1
Show InChI InChI=1S/C40H42N6O5S/c1-26-31(22-28(23-41)46(26)25-40(51-21-20-50-2)17-7-3-4-8-18-40)29-14-15-35(43-36(29)38(48)49)45-19-16-27-10-9-11-30(32(27)24-45)37(47)44-39-42-33-12-5-6-13-34(33)52-39/h5-6,9-15,22H,3-4,7-8,16-21,24-25H2,1-2H3,(H,48,49)(H,42,44,47)
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<0.100<-57.1n/an/an/an/an/an/a25



ABBVIE INC.

US Patent


Assay Description
The measurement of competition of compounds of Formula (I) with F-Bak for a Bcl-2 family protein (Bcl-xL) binding site using a Time Resolved Fluoresc...


US Patent US9266877 (2016)


BindingDB Entry DOI: 10.7270/Q2H41Q7V
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens)
BDBM209236
PNG
(US9266877, 182)
Show SMILES OC(=O)c1nc(ccc1-c1cccc(N2CCCC2C23CC4CC(CC(C4)C2)C3)c1C#N)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
Show InChI InChI=1S/C44H42N6O3S/c45-24-33-30(7-4-10-36(33)50-16-5-12-38(50)44-21-26-18-27(22-44)20-28(19-26)23-44)31-13-14-39(47-40(31)42(52)53)49-17-15-29-6-3-8-32(34(29)25-49)41(51)48-43-46-35-9-1-2-11-37(35)54-43/h1-4,6-11,13-14,26-28,38H,5,12,15-23,25H2,(H,52,53)(H,46,48,51)
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0.200 -55.4n/an/an/an/an/an/a25



ABBVIE INC.

US Patent


Assay Description
The measurement of competition of compounds of Formula (I) with F-Bak for a Bcl-2 family protein (Bcl-xL) binding site using a Time Resolved Fluoresc...


US Patent US9266877 (2016)


BindingDB Entry DOI: 10.7270/Q2H41Q7V
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens)
BDBM209213
PNG
(US9266877, 159)
Show SMILES Cc1c(NCC2CCCC(C)(C)C2)cccc1-c1ccc(nc1C(O)=O)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
Show InChI InChI=1S/C39H41N5O3S/c1-24-27(11-7-14-31(24)40-22-25-9-8-19-39(2,3)21-25)28-16-17-34(42-35(28)37(46)47)44-20-18-26-10-6-12-29(30(26)23-44)36(45)43-38-41-32-13-4-5-15-33(32)48-38/h4-7,10-17,25,40H,8-9,18-23H2,1-3H3,(H,46,47)(H,41,43,45)
PDB
MMDB

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KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
0.200 -55.4n/an/an/an/an/an/a25



ABBVIE INC.

US Patent


Assay Description
The measurement of competition of compounds of Formula (I) with F-Bak for a Bcl-2 family protein (Bcl-xL) binding site using a Time Resolved Fluoresc...


US Patent US9266877 (2016)


BindingDB Entry DOI: 10.7270/Q2H41Q7V
More data for this
Ligand-Target Pair
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