BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 2392 hits Enz. Inhib. hit(s) with Target = 'apoptosis regulator bcl-xl'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM?mit=repeat
Kd
nM
EC50/IC50
nM?mit=repeat
koff
s-1
kon
M-1s-1
pHTemp
°C
Bcl-2-like protein 1


(Homo sapiens (Human))
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)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
<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 (Human))
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)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
<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 (Human))
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
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
<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 (Human))
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)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
<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 (Human))
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)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
<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 (Human))
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)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
<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 (Human))
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)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
<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 (Human))
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)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
<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 (Human))
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)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
<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 (Human))
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)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
<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 (Human))
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)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
<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 (Human))
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)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
<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 (Human))
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)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
<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 (Human))
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)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
<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 (Human))
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)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
<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 (Human))
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)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
<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 (Human))
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)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
<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 (Human))
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)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
<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 (Human))
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)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
<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 (Human))
BDBM139040
PNG
(US8883784, 1)
Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1csc(n1)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
Show InChI InChI=1S/C39H38N8O6S4/c1-45(2)19-18-26(23-54-27-10-4-3-5-11-27)40-31-16-15-28(21-34(31)47(50)51)57(52,53)44-37(49)33-24-55-39(42-33)46-20-17-25-9-8-12-29(30(25)22-46)36(48)43-38-41-32-13-6-7-14-35(32)56-38/h3-16,21,24,26,40H,17-20,22-23H2,1-2H3,(H,44,49)(H,41,43,48)/t26-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
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 US8883784 (2014)


BindingDB Entry DOI: 10.7270/Q2GT5KWT
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))
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)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
<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 (Human))
BDBM139049
PNG
(US8883784, 10)
Show SMILES [O-][N+](=O)c1cc(ccc1N[C@H](CCN1CCOCC1)CSc1ccccc1)S(=O)(=O)NC(=O)c1csc(n1)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
Show InChI InChI=1S/C41H40N8O7S4/c50-38(45-40-43-34-11-4-5-12-37(34)59-40)31-10-6-7-27-15-18-48(24-32(27)31)41-44-35(26-58-41)39(51)46-60(54,55)30-13-14-33(36(23-30)49(52)53)42-28(16-17-47-19-21-56-22-20-47)25-57-29-8-2-1-3-9-29/h1-14,23,26,28,42H,15-22,24-25H2,(H,46,51)(H,43,45,50)/t28-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
0.140 -56.2n/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 US8883784 (2014)


BindingDB Entry DOI: 10.7270/Q2GT5KWT
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))
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)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
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
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM209161
PNG
(US9266877, 107)
Show SMILES Cc1c(CC2CCCCC2)cccc1-c1ccc(nc1C(O)=O)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
Show InChI InChI=1S/C37H36N4O3S/c1-23-26(21-24-9-3-2-4-10-24)12-8-13-27(23)28-17-18-33(39-34(28)36(43)44)41-20-19-25-11-7-14-29(30(25)22-41)35(42)40-37-38-31-15-5-6-16-32(31)45-37/h5-8,11-18,24H,2-4,9-10,19-22H2,1H3,(H,43,44)(H,38,40,42)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
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
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM209168
PNG
(US9266877, 114)
Show SMILES Cc1c(OC2CCCCC2)cccc1-c1ccc(nc1C(O)=O)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
Show InChI InChI=1S/C36H34N4O4S/c1-22-25(12-8-15-30(22)44-24-10-3-2-4-11-24)26-17-18-32(38-33(26)35(42)43)40-20-19-23-9-7-13-27(28(23)21-40)34(41)39-36-37-29-14-5-6-16-31(29)45-36/h5-9,12-18,24H,2-4,10-11,19-21H2,1H3,(H,42,43)(H,37,39,41)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
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
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM139053
PNG
(US8883784, 14)
Show SMILES OCC[C@H](CSc1ccccc1)Nc1ccc(cc1S(=O)(=O)C(F)(F)F)S(=O)(=O)NC(=O)c1csc(n1)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
Show InChI InChI=1S/C38H33F3N6O7S5/c39-38(40,41)58(51,52)33-19-26(13-14-30(33)42-24(16-18-48)21-55-25-8-2-1-3-9-25)59(53,54)46-35(50)31-22-56-37(44-31)47-17-15-23-7-6-10-27(28(23)20-47)34(49)45-36-43-29-11-4-5-12-32(29)57-36/h1-14,19,22,24,42,48H,15-18,20-21H2,(H,46,50)(H,43,45,49)/t24-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

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 US8883784 (2014)


BindingDB Entry DOI: 10.7270/Q2GT5KWT
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM209204
PNG
(US9266877, 150)
Show SMILES COCC[C@@H]1[C@H]2C[C@@H](CC1Cn1cc(cn1)-c1ccc(nc1C(O)=O)N1CCc3cccc(C(=O)Nc4nc5ccccc5s4)c3C1)C2(C)C
Show InChI InChI=1S/C39H42N6O4S/c1-39(2)26-17-24(27(14-16-49-3)31(39)18-26)20-45-21-25(19-40-45)28-11-12-34(42-35(28)37(47)48)44-15-13-23-7-6-8-29(30(23)22-44)36(46)43-38-41-32-9-4-5-10-33(32)50-38/h4-12,19,21,24,26-27,31H,13-18,20,22H2,1-3H3,(H,47,48)(H,41,43,46)/t24?,26-,27+,31-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
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
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM209210
PNG
(US9266877, 156)
Show SMILES CN(c1ccccc1)c1cccc(c1C)-c1ccc(nc1C(O)=O)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
Show InChI InChI=1S/C37H31N5O3S/c1-23-26(13-9-16-31(23)41(2)25-11-4-3-5-12-25)27-18-19-33(39-34(27)36(44)45)42-21-20-24-10-8-14-28(29(24)22-42)35(43)40-37-38-30-15-6-7-17-32(30)46-37/h3-19H,20-22H2,1-2H3,(H,44,45)(H,38,40,43)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
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
Bcl-2-like protein 1


(Homo sapiens (Human))
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

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
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
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM209172
PNG
(US9266877, 118)
Show SMILES Cc1c(NC2CCCCC2)cccc1-c1ccc(nc1C(O)=O)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
Show InChI InChI=1S/C36H35N5O3S/c1-22-25(12-8-15-29(22)37-24-10-3-2-4-11-24)26-17-18-32(39-33(26)35(43)44)41-20-19-23-9-7-13-27(28(23)21-41)34(42)40-36-38-30-14-5-6-16-31(30)45-36/h5-9,12-18,24,37H,2-4,10-11,19-21H2,1H3,(H,43,44)(H,38,40,42)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
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
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM50030756
PNG
(CHEMBL3342197)
Show SMILES CN(C)CC#Cc1ccc(OCCCc2sc(nc2C(O)=O)N2CCc3cccc(C(=O)Nc4nc5ccccc5s4)c3C2)cc1
Show InChI InChI=1S/C35H33N5O4S2/c1-39(2)19-6-8-23-14-16-25(17-15-23)44-21-7-13-30-31(33(42)43)37-35(46-30)40-20-18-24-9-5-10-26(27(24)22-40)32(41)38-34-36-28-11-3-4-12-29(28)45-34/h3-5,9-12,14-17H,7,13,18-22H2,1-2H3,(H,42,43)(H,36,38,41)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.280n/an/an/an/an/an/an/an/a



AbbVie, Inc.

Curated by ChEMBL


Assay Description
Inhibition of BCL-XL (unknown origin) incubated for 1 hr in presence of 1% human serum by TR-FRET assay


ACS Med Chem Lett 5: 1088-93 (2014)


Article DOI: 10.1021/ml5001867
BindingDB Entry DOI: 10.7270/Q2VX0J43
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-XL


(Mus musculus (Mouse))
BDBM178574
PNG
(US9125913, 133)
Show SMILES CN(C)CCOc1ccc(c(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NC4CCN(C)CC4)c(c3)[N+]([O-])=O)c(Oc3ccccc3)c2)c1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C46H52ClN7O7S/c1-50(2)27-28-60-39-14-17-41(33-9-11-35(47)12-10-33)34(29-39)32-52-23-25-53(26-24-52)37-13-16-42(45(30-37)61-38-7-5-4-6-8-38)46(55)49-62(58,59)40-15-18-43(44(31-40)54(56)57)48-36-19-21-51(3)22-20-36/h4-18,29-31,36,48H,19-28,32H2,1-3H3,(H,49,55)
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
0.281n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
The inhibition constant (Ki) is the dissociation constant of an enzyme-inhibitor complex or a protein/small molecule complex, wherein the small molec...


US Patent US9125913 (2015)


BindingDB Entry DOI: 10.7270/Q29Z93PP
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM209164
PNG
(US9266877, 110)
Show SMILES Cc1c(Oc2ccccc2)cccc1-c1ccc(nc1C(O)=O)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
Show InChI InChI=1S/C36H28N4O4S/c1-22-25(12-8-15-30(22)44-24-10-3-2-4-11-24)26-17-18-32(38-33(26)35(42)43)40-20-19-23-9-7-13-27(28(23)21-40)34(41)39-36-37-29-14-5-6-16-31(29)45-36/h2-18H,19-21H2,1H3,(H,42,43)(H,37,39,41)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
0.300 -54.4n/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 (Human))
BDBM209179
PNG
(US9266877, 125)
Show SMILES OC(=O)c1nc(ccc1-c1ccn(Cc2ccccc2)c1)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
Show InChI InChI=1S/C34H27N5O3S/c40-32(37-34-35-28-11-4-5-12-29(28)43-34)26-10-6-9-23-16-18-39(21-27(23)26)30-14-13-25(31(36-30)33(41)42)24-15-17-38(20-24)19-22-7-2-1-3-8-22/h1-15,17,20H,16,18-19,21H2,(H,41,42)(H,35,37,40)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
0.300 -54.4n/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 (Human))
BDBM209203
PNG
(US9266877, 149)
Show SMILES OC(=O)c1nc(ccc1-c1cnn(CC2CCCCO2)c1)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
Show InChI InChI=1S/C32H30N6O4S/c39-30(36-32-34-26-9-1-2-10-27(26)43-32)24-8-5-6-20-13-14-37(19-25(20)24)28-12-11-23(29(35-28)31(40)41)21-16-33-38(17-21)18-22-7-3-4-15-42-22/h1-2,5-6,8-12,16-17,22H,3-4,7,13-15,18-19H2,(H,40,41)(H,34,36,39)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
0.300 -54.4n/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 (Human))
BDBM209207
PNG
(US9266877, 153)
Show SMILES OC(=O)c1nc(ccc1-c1ccc2n(Cc3ccccc3)ncc2c1)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
Show InChI InChI=1S/C37H28N6O3S/c44-35(41-37-39-30-11-4-5-12-32(30)47-37)28-10-6-9-24-17-18-42(22-29(24)28)33-16-14-27(34(40-33)36(45)46)25-13-15-31-26(19-25)20-38-43(31)21-23-7-2-1-3-8-23/h1-16,19-20H,17-18,21-22H2,(H,45,46)(H,39,41,44)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
0.300 -54.4n/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 (Human))
BDBM185599
PNG
(US9156856, 9 | US9493431, 9)
Show SMILES CC(C)N(C)CC[C@H](CSc1ccccc1)Nc1sc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(CC2=C(CCC(C)(C)C2)c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C44H55ClN6O5S3/c1-31(2)48(5)22-20-36(30-57-38-9-7-6-8-10-38)46-43-40(51(53)54)27-41(58-43)59(55,56)47-42(52)33-13-17-37(18-14-33)50-25-23-49(24-26-50)29-34-28-44(3,4)21-19-39(34)32-11-15-35(45)16-12-32/h6-18,27,31,36,46H,19-26,28-30H2,1-5H3,(H,47,52)/t36-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
0.307 -54.3n/an/an/an/an/an/a25



AbbVie Inc.

US Patent


Assay Description
Representative compounds were serially diluted in dimethyl sulfoxide (DMSO) starting at 50 μM (2 starting concentration; 10% DMSO) and 10 μ...


US Patent US9156856 (2015)


BindingDB Entry DOI: 10.7270/Q2125RFF
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM50030751
PNG
(CHEMBL3342334)
Show SMILES CN(C)CC#Cc1cc(F)c(OCCCc2sc(nc2C(O)=O)N2CCc3cccc(C(=O)Nc4nc5ccccc5s4)c3C2)cc1F
Show InChI InChI=1S/C35H31F2N5O4S2/c1-41(2)15-6-9-22-18-26(37)28(19-25(22)36)46-17-7-13-30-31(33(44)45)39-35(48-30)42-16-14-21-8-5-10-23(24(21)20-42)32(43)40-34-38-27-11-3-4-12-29(27)47-34/h3-5,8,10-12,18-19H,7,13-17,20H2,1-2H3,(H,44,45)(H,38,40,43)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.330n/an/an/an/an/an/an/an/a



AbbVie, Inc.

Curated by ChEMBL


Assay Description
Inhibition of BCL-XL (unknown origin) incubated for 1 hr in presence of 1% human serum by TR-FRET assay


ACS Med Chem Lett 5: 1088-93 (2014)


Article DOI: 10.1021/ml5001867
BindingDB Entry DOI: 10.7270/Q2VX0J43
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM50030749
PNG
(CHEMBL3342190)
Show SMILES OC(=O)c1nc(sc1CCCOc1cccc(c1)-n1ncc2cncnc12)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
Show InChI InChI=1S/C35H28N8O4S2/c44-32(41-34-39-27-10-1-2-11-28(27)48-34)25-9-3-6-21-13-14-42(19-26(21)25)35-40-30(33(45)46)29(49-35)12-5-15-47-24-8-4-7-23(16-24)43-31-22(18-38-43)17-36-20-37-31/h1-4,6-11,16-18,20H,5,12-15,19H2,(H,45,46)(H,39,41,44)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.340n/an/an/an/an/an/an/an/a



AbbVie, Inc.

Curated by ChEMBL


Assay Description
Inhibition of BCL-XL (unknown origin) incubated for 1 hr by TR-FRET assay


ACS Med Chem Lett 5: 1088-93 (2014)


Article DOI: 10.1021/ml5001867
BindingDB Entry DOI: 10.7270/Q2VX0J43
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-XL


(Mus musculus (Mouse))
BDBM178866
PNG
(US9125913, 438)
Show SMILES CN(C)CC(=O)N1CCO[C@@H](CNc2ccc(cc2[N+]([O-])=O)S(=O)(=O)NC(=O)c2ccc(cc2Oc2cccc3[nH]cnc23)N2CCN(CC3=C(CC(C)(C)CC3)c3ccc(Cl)cc3)CC2)C1
Show InChI InChI=1S/C48H56ClN9O8S/c1-48(2)17-16-33(39(26-48)32-8-10-34(49)11-9-32)28-55-18-20-56(21-19-55)35-12-14-38(44(24-35)66-43-7-5-6-41-46(43)52-31-51-41)47(60)53-67(63,64)37-13-15-40(42(25-37)58(61)62)50-27-36-29-57(22-23-65-36)45(59)30-54(3)4/h5-15,24-25,31,36,50H,16-23,26-30H2,1-4H3,(H,51,52)(H,53,60)/t36-/m0/s1
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
0.345n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
The inhibition constant (Ki) is the dissociation constant of an enzyme-inhibitor complex or a protein/small molecule complex, wherein the small molec...


US Patent US9125913 (2015)


BindingDB Entry DOI: 10.7270/Q29Z93PP
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM50030761
PNG
(CHEMBL3342192)
Show SMILES OC(=O)c1nc(sc1CCCOc1ccc(cc1)-n1ncc2cncnc12)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
Show InChI InChI=1S/C35H28N8O4S2/c44-32(41-34-39-27-7-1-2-8-28(27)48-34)25-6-3-5-21-14-15-42(19-26(21)25)35-40-30(33(45)46)29(49-35)9-4-16-47-24-12-10-23(11-13-24)43-31-22(18-38-43)17-36-20-37-31/h1-3,5-8,10-13,17-18,20H,4,9,14-16,19H2,(H,45,46)(H,39,41,44)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
0.380n/an/an/an/an/an/an/an/a



AbbVie, Inc.

Curated by ChEMBL


Assay Description
Inhibition of BCL-XL (unknown origin) incubated for 1 hr in presence of 1% human serum by TR-FRET assay


ACS Med Chem Lett 5: 1088-93 (2014)


Article DOI: 10.1021/ml5001867
BindingDB Entry DOI: 10.7270/Q2VX0J43
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-XL


(Mus musculus (Mouse))
BDBM178562
PNG
(US9125913, 121)
Show SMILES CN(C)CCOc1ccc(c(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCCCN4CCCC4)c(c3)[N+]([O-])=O)c(Oc3ccccc3)c2)c1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C47H54ClN7O7S/c1-51(2)29-30-61-40-16-19-42(35-11-13-37(48)14-12-35)36(31-40)34-53-25-27-54(28-26-53)38-15-18-43(46(32-38)62-39-9-4-3-5-10-39)47(56)50-63(59,60)41-17-20-44(45(33-41)55(57)58)49-21-8-24-52-22-6-7-23-52/h3-5,9-20,31-33,49H,6-8,21-30,34H2,1-2H3,(H,50,56)
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
0.388n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
The inhibition constant (Ki) is the dissociation constant of an enzyme-inhibitor complex or a protein/small molecule complex, wherein the small molec...


US Patent US9125913 (2015)


BindingDB Entry DOI: 10.7270/Q29Z93PP
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM209241
PNG
(US9266877, 187)
Show SMILES OC(=O)c1nc(ccc1-c1cccc2n(Cc3ccccc3)ncc12)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
Show InChI InChI=1S/C37H28N6O3S/c44-35(41-37-39-30-13-4-5-15-32(30)47-37)27-12-6-10-24-18-19-42(22-29(24)27)33-17-16-26(34(40-33)36(45)46)25-11-7-14-31-28(25)20-38-43(31)21-23-8-2-1-3-9-23/h1-17,20H,18-19,21-22H2,(H,45,46)(H,39,41,44)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
0.400 -53.6n/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 (Human))
BDBM209155
PNG
(US9266877, 101)
Show SMILES COCCOC1(Cn2ncc(c2C)-c2ccc(nc2C(O)=O)N2CCc3cccc(C(=O)Nc4nc5ccccc5s4)c3C2)CCCCC1
Show InChI InChI=1S/C37H40N6O5S/c1-24-28(21-38-43(24)23-37(48-20-19-47-2)16-6-3-7-17-37)26-13-14-32(40-33(26)35(45)46)42-18-15-25-9-8-10-27(29(25)22-42)34(44)41-36-39-30-11-4-5-12-31(30)49-36/h4-5,8-14,21H,3,6-7,15-20,22-23H2,1-2H3,(H,45,46)(H,39,41,44)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
0.400 -53.6n/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 (Human))
BDBM209174
PNG
(US9266877, 120)
Show SMILES OC(=O)c1nc(ccc1-c1cccc(OC2CCCCC2)c1C(F)(F)F)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
Show InChI InChI=1S/C36H31F3N4O4S/c37-36(38,39)31-23(11-7-14-28(31)47-22-9-2-1-3-10-22)24-16-17-30(41-32(24)34(45)46)43-19-18-21-8-6-12-25(26(21)20-43)33(44)42-35-40-27-13-4-5-15-29(27)48-35/h4-8,11-17,22H,1-3,9-10,18-20H2,(H,45,46)(H,40,42,44)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
0.400 -53.6n/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 (Human))
BDBM209193
PNG
(US9266877, 139)
Show SMILES OC(=O)c1nc(ccc1-c1ccnc(OC2CCCCC2)c1)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
Show InChI InChI=1S/C34H31N5O4S/c40-32(38-34-36-27-11-4-5-12-28(27)44-34)25-10-6-7-21-16-18-39(20-26(21)25)29-14-13-24(31(37-29)33(41)42)22-15-17-35-30(19-22)43-23-8-2-1-3-9-23/h4-7,10-15,17,19,23H,1-3,8-9,16,18,20H2,(H,41,42)(H,36,38,40)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
0.400 -53.6n/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 (Human))
BDBM209217
PNG
(US9266877, 163)
Show SMILES CC1N(CCc2cccc(C(=O)Nc3nc4ccccc4s3)c12)c1ccc(-c2cnn(CC3(C)CCCCC3)c2C)c(n1)C(O)=O
Show InChI InChI=1S/C36H38N6O3S/c1-22-27(20-37-42(22)21-36(3)17-7-4-8-18-36)25-14-15-30(39-32(25)34(44)45)41-19-16-24-10-9-11-26(31(24)23(41)2)33(43)40-35-38-28-12-5-6-13-29(28)46-35/h5-6,9-15,20,23H,4,7-8,16-19,21H2,1-3H3,(H,44,45)(H,38,40,43)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
0.400 -53.6n/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 (Human))
BDBM185627
PNG
(US9156856, 40 | US9493431, 40)
Show SMILES Cc1cc(C)n2nc(nc2n1)S(=O)(=O)NC(=O)c1ccc(cc1Oc1cccc(Cl)c1)N1CCN(CC2=C(CC(C)(C)CC2)c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C39H41Cl2N7O4S/c1-25-20-26(2)48-37(42-25)43-38(44-48)53(50,51)45-36(49)33-13-12-31(22-35(33)52-32-7-5-6-30(41)21-32)47-18-16-46(17-19-47)24-28-14-15-39(3,4)23-34(28)27-8-10-29(40)11-9-27/h5-13,20-22H,14-19,23-24H2,1-4H3,(H,45,49)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
0.407 -53.6n/an/an/an/an/an/a25



AbbVie Inc.

US Patent


Assay Description
Representative compounds were serially diluted in dimethyl sulfoxide (DMSO) starting at 50 μM (2 starting concentration; 10% DMSO) and 10 μ...


US Patent US9156856 (2015)


BindingDB Entry DOI: 10.7270/Q2125RFF
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM50030755
PNG
(CHEMBL3342198)
Show SMILES CN(C)CC#Cc1ccc(OCCCc2sc(nc2C(O)=O)N2CCc3cccc(C(=O)Nc4nc5ccccc5s4)c3C2)c(Cl)c1
Show InChI InChI=1S/C35H32ClN5O4S2/c1-40(2)17-6-8-22-14-15-28(26(36)20-22)45-19-7-13-30-31(33(43)44)38-35(47-30)41-18-16-23-9-5-10-24(25(23)21-41)32(42)39-34-37-27-11-3-4-12-29(27)46-34/h3-5,9-12,14-15,20H,7,13,16-19,21H2,1-2H3,(H,43,44)(H,37,39,42)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.410n/an/an/an/an/an/an/an/a



AbbVie, Inc.

Curated by ChEMBL


Assay Description
Inhibition of BCL-XL (unknown origin) incubated for 1 hr in presence of 1% human serum by TR-FRET assay


ACS Med Chem Lett 5: 1088-93 (2014)


Article DOI: 10.1021/ml5001867
BindingDB Entry DOI: 10.7270/Q2VX0J43
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-XL


(Mus musculus (Mouse))
BDBM178593
PNG
(US9125913, 152)
Show SMILES CN1CCC(CC1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1Oc1ccccc1)N1CCN(CC2=C(CC(C)(C)CC2)c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C44H51ClN6O6S/c1-44(2)20-17-32(39(29-44)31-9-11-33(45)12-10-31)30-49-23-25-50(26-24-49)35-13-15-38(42(27-35)57-36-7-5-4-6-8-36)43(52)47-58(55,56)37-14-16-40(41(28-37)51(53)54)46-34-18-21-48(3)22-19-34/h4-16,27-28,34,46H,17-26,29-30H2,1-3H3,(H,47,52)
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
0.412n/an/an/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
The inhibition constant (Ki) is the dissociation constant of an enzyme-inhibitor complex or a protein/small molecule complex, wherein the small molec...


US Patent US9125913 (2015)


BindingDB Entry DOI: 10.7270/Q29Z93PP
More data for this
Ligand-Target Pair
<<  First   |  Previous   |  Displayed 51 to 100 (of 2392 total )  |  Next  |  Last  >>
Jump to: