Found 64 hits Enz. Inhib. hit(s) with all data for entry = 50039798 Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Bcl-2-like protein 1
(Homo sapiens (Human)) | BDBM50384321
(CHEMBL2030856 | US9346795, 245)Show SMILES CCCCc1c(c(CO)nn1-c1ccc(CCO)cc1)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2ccccc2c1 |(-.54,-26.2,;-1.85,-25.39,;-1.8,-23.85,;-3.11,-23.04,;-3.07,-21.5,;-2.91,-19.96,;-4.31,-19.34,;-4.63,-17.83,;-6.1,-17.35,;-5.34,-20.48,;-4.58,-21.81,;-5.3,-23.17,;-6.84,-23.22,;-7.57,-24.57,;-6.76,-25.88,;-7.48,-27.24,;-9.02,-27.29,;-9.75,-28.65,;-5.21,-25.83,;-4.49,-24.47,;-1.57,-19.19,;-1.57,-17.66,;-.23,-16.88,;1.11,-17.66,;1.1,-19.2,;-.24,-19.97,;-.25,-21.51,;-1.59,-22.27,;1.08,-22.28,;1.08,-23.82,;2.4,-24.59,;3.74,-23.83,;5.06,-24.61,;6.4,-23.86,;6.41,-22.32,;5.08,-21.53,;3.75,-22.29,;2.42,-21.51,;2.44,-16.9,;2.45,-15.36,;3.77,-17.67,;5.1,-16.9,;4.32,-15.58,;5.86,-15.57,;6.44,-17.68,;6.43,-19.22,;7.76,-20,;9.11,-19.23,;10.45,-19.99,;11.79,-19.21,;11.77,-17.65,;10.42,-16.9,;9.1,-17.68,;7.77,-16.91,)| Show InChI InChI=1S/C43H42N4O6S/c1-2-3-12-40-41(39(28-49)44-47(40)35-17-13-29(14-18-35)22-24-48)37-20-16-33(26-38(37)43(51)46-23-21-31-9-5-7-11-34(31)27-46)42(50)45-54(52,53)36-19-15-30-8-4-6-10-32(30)25-36/h4-11,13-20,25-26,48-49H,2-3,12,21-24,27-28H2,1H3,(H,45,50) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research
Curated by ChEMBL
| Assay Description
Inhibition of biotin-labelled Bcl-xL using [FAM]-IWIAQELRRIGDEFNAYY-NH2 as substrate after 60 mins by FRET analysis |
Bioorg Med Chem Lett 22: 3951-6 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.106
BindingDB Entry DOI: 10.7270/Q2416Z2Z |
More data for this
Ligand-Target Pair | |
Apoptosis regulator Bcl-2
(Homo sapiens (Human)) | BDBM50384329
(CHEMBL2030864 | US9346795, 252)Show SMILES CCCCc1c(c(CO)nn1-c1ccc(Oc2cccc(Cl)c2)cc1)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2cccc(Cl)c2c1 |(-.35,-2.86,;.94,-3.7,;2.31,-3,;2.4,-1.46,;3.78,-.76,;5.2,-.17,;5.07,1.37,;6.24,2.37,;5.96,3.88,;3.58,1.72,;2.77,.41,;1.24,.4,;.46,1.73,;-1.08,1.72,;-1.84,.38,;-3.38,.36,;-4.16,1.69,;-5.7,1.67,;-6.48,2.99,;-5.73,4.34,;-4.19,4.35,;-3.43,5.69,;-3.41,3.02,;-1.05,-.96,;.48,-.94,;6.51,-.97,;7.86,-.24,;9.19,-1.04,;9.14,-2.59,;7.79,-3.32,;6.47,-2.51,;5.12,-3.24,;3.81,-2.43,;5.07,-4.78,;3.72,-5.51,;3.68,-7.04,;4.98,-7.85,;4.93,-9.38,;6.24,-10.2,;7.59,-9.48,;7.65,-7.93,;6.34,-7.13,;6.39,-5.58,;10.45,-3.39,;11.81,-2.66,;10.41,-4.93,;11.73,-5.75,;10.95,-7.08,;12.49,-7.08,;13.07,-4.99,;13.1,-3.45,;14.44,-2.69,;15.76,-3.47,;17.11,-2.71,;18.44,-3.49,;18.43,-5.05,;17.08,-5.81,;17.06,-7.35,;15.75,-5.02,;14.4,-5.78,)| Show InChI InChI=1S/C47H40Cl2N4O6S/c1-2-3-14-44-45(43(29-54)50-53(44)35-17-19-36(20-18-35)59-37-12-7-11-34(48)26-37)39-22-16-32(25-41(39)47(56)52-24-23-30-8-4-5-9-33(30)28-52)46(55)51-60(57,58)38-21-15-31-10-6-13-42(49)40(31)27-38/h4-13,15-22,25-27,54H,2-3,14,23-24,28-29H2,1H3,(H,51,55) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research
Curated by ChEMBL
| Assay Description
Inhibition of GST-tagged Bcl2 using [FAM]-IWIAQELRRIGDEFNAYY-NH2 as substrate after 60 mins by fluorescence polarization assay |
Bioorg Med Chem Lett 22: 3951-6 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.106
BindingDB Entry DOI: 10.7270/Q2416Z2Z |
More data for this
Ligand-Target Pair | |
Bcl-2-like protein 1
(Homo sapiens (Human)) | BDBM50384325
(CHEMBL2030860)Show SMILES CCCCc1c(c(CO)nn1-c1ccccc1)-c1ccc(cc1C(=O)N1Cc2ccccc2C[C@H]1CN)C(=O)NS(=O)(=O)c1ccc2ccccc2c1 |r,wU:34.39,(11.77,-38.55,;13.06,-39.38,;14.43,-38.69,;14.52,-37.15,;15.9,-36.45,;17.32,-35.86,;17.2,-34.32,;18.37,-33.32,;18.08,-31.81,;15.7,-33.96,;14.89,-35.28,;13.36,-35.29,;12.58,-33.96,;11.04,-33.97,;10.28,-35.31,;11.07,-36.64,;12.6,-36.63,;18.63,-36.66,;19.98,-35.92,;21.31,-36.73,;21.26,-38.28,;19.91,-39.01,;18.59,-38.2,;17.24,-38.93,;15.93,-38.12,;17.2,-40.47,;18.51,-41.27,;18.46,-42.82,;19.77,-43.62,;19.72,-45.16,;18.36,-45.89,;17.05,-45.07,;17.1,-43.54,;15.8,-42.73,;15.84,-41.2,;14.53,-40.39,;13.18,-41.12,;22.57,-39.08,;23.93,-38.35,;22.53,-40.62,;23.84,-41.42,;24.63,-40.1,;25.38,-41.45,;23.8,-42.97,;22.44,-43.7,;22.39,-45.24,;23.72,-46.05,;23.7,-47.6,;25.02,-48.39,;26.38,-47.63,;26.39,-46.09,;25.07,-45.3,;25.11,-43.77,)| Show InChI InChI=1S/C42H41N5O5S/c1-2-3-17-39-40(38(27-48)44-47(39)33-15-5-4-6-16-33)36-21-19-31(41(49)45-53(51,52)35-20-18-28-11-7-8-13-30(28)23-35)24-37(36)42(50)46-26-32-14-10-9-12-29(32)22-34(46)25-43/h4-16,18-21,23-24,34,48H,2-3,17,22,25-27,43H2,1H3,(H,45,49)/t34-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research
Curated by ChEMBL
| Assay Description
Inhibition of biotin-labelled Bcl-xL using [FAM]-IWIAQELRRIGDEFNAYY-NH2 as substrate after 60 mins by FRET analysis |
Bioorg Med Chem Lett 22: 3951-6 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.106
BindingDB Entry DOI: 10.7270/Q2416Z2Z |
More data for this
Ligand-Target Pair | |
Bcl-2-like protein 1
(Homo sapiens (Human)) | BDBM50384322
(CHEMBL2030857)Show SMILES CCCCc1c(c(CO)nn1-c1ccc(CCCO)cc1)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2ccccc2c1 |(23.77,-26.25,;22.46,-25.44,;22.51,-23.9,;21.2,-23.1,;21.24,-21.55,;21.4,-20.02,;20,-19.39,;19.68,-17.88,;18.21,-17.41,;18.97,-20.53,;19.73,-21.87,;19.01,-23.22,;17.47,-23.27,;16.74,-24.62,;17.55,-25.93,;16.83,-27.29,;15.29,-27.34,;14.57,-28.7,;13.03,-28.75,;19.1,-25.88,;19.82,-24.52,;22.74,-19.25,;22.74,-17.71,;24.08,-16.94,;25.42,-17.71,;25.41,-19.25,;24.07,-20.02,;24.06,-21.56,;22.72,-22.32,;25.39,-22.33,;25.39,-23.87,;26.71,-24.65,;28.05,-23.89,;29.37,-24.66,;30.71,-23.91,;30.72,-22.37,;29.39,-21.58,;28.06,-22.35,;26.73,-21.56,;26.75,-16.95,;26.76,-15.41,;28.08,-17.73,;29.41,-16.96,;28.63,-15.63,;30.17,-15.62,;30.75,-17.74,;30.74,-19.28,;32.07,-20.06,;33.42,-19.28,;34.76,-20.04,;36.1,-19.26,;36.08,-17.71,;34.73,-16.95,;33.41,-17.74,;32.08,-16.96,)| Show InChI InChI=1S/C44H44N4O6S/c1-2-3-14-41-42(40(29-50)45-48(41)36-19-15-30(16-20-36)9-8-25-49)38-22-18-34(27-39(38)44(52)47-24-23-32-11-5-7-13-35(32)28-47)43(51)46-55(53,54)37-21-17-31-10-4-6-12-33(31)26-37/h4-7,10-13,15-22,26-27,49-50H,2-3,8-9,14,23-25,28-29H2,1H3,(H,46,51) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research
Curated by ChEMBL
| Assay Description
Inhibition of biotin-labelled Bcl-xL using [FAM]-IWIAQELRRIGDEFNAYY-NH2 as substrate after 60 mins by FRET analysis |
Bioorg Med Chem Lett 22: 3951-6 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.106
BindingDB Entry DOI: 10.7270/Q2416Z2Z |
More data for this
Ligand-Target Pair | |
Apoptosis regulator Bcl-2
(Homo sapiens (Human)) | BDBM50384320
(CHEMBL2030855)Show SMILES CCCCc1c(c(CO)nn1-c1ccc(cc1)-c1ccccc1)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2ccccc2c1 |(46.25,-7.57,;44.94,-6.76,;44.98,-5.22,;43.67,-4.42,;43.72,-2.87,;43.88,-1.34,;42.47,-.71,;42.15,.8,;40.69,1.27,;41.44,-1.85,;42.21,-3.19,;41.49,-4.54,;39.95,-4.59,;39.22,-5.94,;40.03,-7.25,;41.58,-7.2,;42.3,-5.84,;39.31,-8.61,;37.77,-8.66,;37.04,-10.02,;37.86,-11.32,;39.4,-11.27,;40.12,-9.91,;45.22,-.57,;45.22,.97,;46.56,1.74,;47.89,.97,;47.89,-.57,;46.54,-1.34,;46.54,-2.88,;45.2,-3.64,;47.87,-3.65,;47.86,-5.19,;49.19,-5.97,;50.52,-5.21,;51.84,-5.98,;53.18,-5.23,;53.2,-3.69,;51.87,-2.9,;50.54,-3.67,;49.21,-2.88,;49.23,1.73,;49.24,3.27,;50.56,.95,;51.89,1.72,;51.11,3.05,;52.65,3.06,;53.23,.94,;53.21,-.6,;54.55,-1.38,;55.9,-.6,;57.24,-1.36,;58.57,-.58,;58.56,.97,;57.21,1.73,;55.89,.94,;54.56,1.72,)| Show InChI InChI=1S/C47H42N4O5S/c1-2-3-17-44-45(43(31-52)48-51(44)39-22-18-35(19-23-39)32-11-5-4-6-12-32)41-25-21-37(29-42(41)47(54)50-27-26-34-14-8-10-16-38(34)30-50)46(53)49-57(55,56)40-24-20-33-13-7-9-15-36(33)28-40/h4-16,18-25,28-29,52H,2-3,17,26-27,30-31H2,1H3,(H,49,53) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research
Curated by ChEMBL
| Assay Description
Inhibition of GST-tagged Bcl2 using [FAM]-IWIAQELRRIGDEFNAYY-NH2 as substrate after 60 mins by fluorescence polarization assay |
Bioorg Med Chem Lett 22: 3951-6 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.106
BindingDB Entry DOI: 10.7270/Q2416Z2Z |
More data for this
Ligand-Target Pair | |
Bcl-2-like protein 1
(Homo sapiens (Human)) | BDBM50384324
(CHEMBL2030859 | US9346795, 260)Show SMILES CCCCc1c(c(CO)nn1-c1ccccc1)-c1ccc(cc1C(=O)N1Cc2ccccc2C[C@H]1CO)C(=O)NS(=O)(=O)c1ccc2ccccc2c1 |r,wU:34.39,(-8.12,-38.1,;-6.89,-39.03,;-5.47,-38.44,;-5.28,-36.91,;-3.85,-36.31,;-2.39,-35.82,;-2.4,-34.28,;-1.16,-33.36,;-1.34,-31.83,;-3.87,-33.82,;-4.77,-35.07,;-6.3,-34.97,;-6.98,-33.59,;-8.52,-33.49,;-9.37,-34.77,;-8.68,-36.16,;-7.15,-36.25,;-1.14,-36.72,;.21,-35.98,;1.54,-36.79,;1.49,-38.33,;.14,-39.06,;-1.18,-38.25,;-2.53,-38.98,;-3.84,-38.18,;-2.57,-40.52,;-1.26,-41.33,;-1.31,-42.87,;0,-43.68,;-.05,-45.22,;-1.41,-45.94,;-2.72,-45.13,;-2.67,-43.6,;-3.97,-42.79,;-3.93,-41.25,;-5.24,-40.45,;-6.59,-41.18,;2.8,-39.14,;4.16,-38.41,;2.76,-40.68,;4.07,-41.48,;4.86,-40.16,;5.61,-41.5,;4.03,-43.02,;2.67,-43.75,;2.62,-45.29,;3.95,-46.11,;3.93,-47.65,;5.25,-48.45,;6.61,-47.69,;6.63,-46.14,;5.3,-45.36,;5.34,-43.82,)| Show InChI InChI=1S/C42H40N4O6S/c1-2-3-17-39-40(38(27-48)43-46(39)33-15-5-4-6-16-33)36-21-19-31(41(49)44-53(51,52)35-20-18-28-11-7-8-13-30(28)23-35)24-37(36)42(50)45-25-32-14-10-9-12-29(32)22-34(45)26-47/h4-16,18-21,23-24,34,47-48H,2-3,17,22,25-27H2,1H3,(H,44,49)/t34-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research
Curated by ChEMBL
| Assay Description
Inhibition of biotin-labelled Bcl-xL using [FAM]-IWIAQELRRIGDEFNAYY-NH2 as substrate after 60 mins by FRET analysis |
Bioorg Med Chem Lett 22: 3951-6 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.106
BindingDB Entry DOI: 10.7270/Q2416Z2Z |
More data for this
Ligand-Target Pair | |
Apoptosis regulator Bcl-2
(Homo sapiens (Human)) | BDBM50384318
(CHEMBL2030853 | US9346795, 243)Show SMILES CCCCc1c(c(CO)nn1-c1ccc(Oc2cccc(Cl)c2)cc1)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2ccccc2c1 |(-1.41,-6.84,;-2.72,-6.03,;-2.67,-4.49,;-3.99,-3.68,;-3.94,-2.14,;-3.78,-.6,;-5.18,.02,;-5.5,1.53,;-6.97,2,;-6.22,-1.12,;-5.45,-2.46,;-6.17,-3.81,;-7.71,-3.86,;-8.44,-5.21,;-7.63,-6.52,;-8.35,-7.88,;-7.53,-9.19,;-8.27,-10.54,;-7.45,-11.85,;-5.91,-11.8,;-5.19,-10.43,;-3.65,-10.37,;-6,-9.13,;-6.08,-6.47,;-5.36,-5.11,;-2.44,.16,;-2.44,1.7,;-1.1,2.48,;.23,1.7,;.23,.16,;-1.11,-.61,;-1.12,-2.15,;-2.46,-2.91,;.21,-2.92,;.21,-4.46,;1.53,-5.23,;2.86,-4.47,;4.18,-5.25,;5.53,-4.5,;5.54,-2.96,;4.21,-2.17,;2.88,-2.93,;1.55,-2.15,;1.57,2.46,;1.58,4,;2.9,1.69,;4.23,2.45,;3.45,3.78,;4.99,3.79,;5.57,1.67,;5.56,.13,;6.89,-.65,;8.24,.13,;9.58,-.63,;10.92,.15,;10.9,1.71,;9.55,2.46,;8.23,1.68,;6.9,2.45,)| Show InChI InChI=1S/C47H41ClN4O6S/c1-2-3-15-44-45(43(30-53)49-52(44)37-18-20-38(21-19-37)58-39-14-8-13-36(48)28-39)41-23-17-34(27-42(41)47(55)51-25-24-32-10-5-7-12-35(32)29-51)46(54)50-59(56,57)40-22-16-31-9-4-6-11-33(31)26-40/h4-14,16-23,26-28,53H,2-3,15,24-25,29-30H2,1H3,(H,50,54) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research
Curated by ChEMBL
| Assay Description
Inhibition of GST-tagged Bcl2 using [FAM]-IWIAQELRRIGDEFNAYY-NH2 as substrate after 60 mins by fluorescence polarization assay |
Bioorg Med Chem Lett 22: 3951-6 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.106
BindingDB Entry DOI: 10.7270/Q2416Z2Z |
More data for this
Ligand-Target Pair | |
Bcl-2-like protein 1
(Homo sapiens (Human)) | BDBM50384340
(CHEMBL2031009 | US9346795, 328)Show SMILES CCCN(CCC)c1ncc(Cl)c(n1)-c1ccc(cc1C(=O)N1Cc2ccccc2C[C@H]1CO)C(=O)NS(=O)(=O)c1ccc2cccc(Cl)c2c1 |r| Show InChI InChI=1S/C38H37Cl2N5O5S/c1-3-16-44(17-4-2)38-41-21-34(40)35(42-38)30-15-13-26(19-32(30)37(48)45-22-27-9-6-5-8-25(27)18-28(45)23-46)36(47)43-51(49,50)29-14-12-24-10-7-11-33(39)31(24)20-29/h5-15,19-21,28,46H,3-4,16-18,22-23H2,1-2H3,(H,43,47)/t28-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research
Curated by ChEMBL
| Assay Description
Inhibition of biotin-labelled Bcl-xL using [FAM]-IWIAQELRRIGDEFNAYY-NH2 as substrate after 60 mins by FRET analysis |
Bioorg Med Chem Lett 22: 3951-6 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.106
BindingDB Entry DOI: 10.7270/Q2416Z2Z |
More data for this
Ligand-Target Pair | |
Apoptosis regulator Bcl-2
(Homo sapiens (Human)) | BDBM50384340
(CHEMBL2031009 | US9346795, 328)Show SMILES CCCN(CCC)c1ncc(Cl)c(n1)-c1ccc(cc1C(=O)N1Cc2ccccc2C[C@H]1CO)C(=O)NS(=O)(=O)c1ccc2cccc(Cl)c2c1 |r| Show InChI InChI=1S/C38H37Cl2N5O5S/c1-3-16-44(17-4-2)38-41-21-34(40)35(42-38)30-15-13-26(19-32(30)37(48)45-22-27-9-6-5-8-25(27)18-28(45)23-46)36(47)43-51(49,50)29-14-12-24-10-7-11-33(39)31(24)20-29/h5-15,19-21,28,46H,3-4,16-18,22-23H2,1-2H3,(H,43,47)/t28-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research
Curated by ChEMBL
| Assay Description
Inhibition of GST-tagged Bcl2 using [FAM]-IWIAQELRRIGDEFNAYY-NH2 as substrate after 60 mins by fluorescence polarization assay |
Bioorg Med Chem Lett 22: 3951-6 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.106
BindingDB Entry DOI: 10.7270/Q2416Z2Z |
More data for this
Ligand-Target Pair | |
Apoptosis regulator Bcl-2
(Homo sapiens (Human)) | BDBM50384324
(CHEMBL2030859 | US9346795, 260)Show SMILES CCCCc1c(c(CO)nn1-c1ccccc1)-c1ccc(cc1C(=O)N1Cc2ccccc2C[C@H]1CO)C(=O)NS(=O)(=O)c1ccc2ccccc2c1 |r,wU:34.39,(-8.12,-38.1,;-6.89,-39.03,;-5.47,-38.44,;-5.28,-36.91,;-3.85,-36.31,;-2.39,-35.82,;-2.4,-34.28,;-1.16,-33.36,;-1.34,-31.83,;-3.87,-33.82,;-4.77,-35.07,;-6.3,-34.97,;-6.98,-33.59,;-8.52,-33.49,;-9.37,-34.77,;-8.68,-36.16,;-7.15,-36.25,;-1.14,-36.72,;.21,-35.98,;1.54,-36.79,;1.49,-38.33,;.14,-39.06,;-1.18,-38.25,;-2.53,-38.98,;-3.84,-38.18,;-2.57,-40.52,;-1.26,-41.33,;-1.31,-42.87,;0,-43.68,;-.05,-45.22,;-1.41,-45.94,;-2.72,-45.13,;-2.67,-43.6,;-3.97,-42.79,;-3.93,-41.25,;-5.24,-40.45,;-6.59,-41.18,;2.8,-39.14,;4.16,-38.41,;2.76,-40.68,;4.07,-41.48,;4.86,-40.16,;5.61,-41.5,;4.03,-43.02,;2.67,-43.75,;2.62,-45.29,;3.95,-46.11,;3.93,-47.65,;5.25,-48.45,;6.61,-47.69,;6.63,-46.14,;5.3,-45.36,;5.34,-43.82,)| Show InChI InChI=1S/C42H40N4O6S/c1-2-3-17-39-40(38(27-48)43-46(39)33-15-5-4-6-16-33)36-21-19-31(41(49)44-53(51,52)35-20-18-28-11-7-8-13-30(28)23-35)24-37(36)42(50)45-25-32-14-10-9-12-29(32)22-34(45)26-47/h4-16,18-21,23-24,34,47-48H,2-3,17,22,25-27H2,1H3,(H,44,49)/t34-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research
Curated by ChEMBL
| Assay Description
Inhibition of GST-tagged Bcl2 using [FAM]-IWIAQELRRIGDEFNAYY-NH2 as substrate after 60 mins by fluorescence polarization assay |
Bioorg Med Chem Lett 22: 3951-6 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.106
BindingDB Entry DOI: 10.7270/Q2416Z2Z |
More data for this
Ligand-Target Pair | |
Bcl-2-like protein 1
(Homo sapiens (Human)) | BDBM50384312
(CHEMBL2030847)Show SMILES CCCCc1c(c(CO)nn1-c1ccccc1)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2ccccc2c1 |(-.21,-22.28,;-1.52,-21.47,;-1.48,-19.93,;-2.79,-19.12,;-2.74,-17.58,;-2.58,-16.04,;-3.99,-15.42,;-4.31,-13.91,;-5.77,-13.43,;-5.02,-16.56,;-4.25,-17.89,;-4.97,-19.25,;-6.52,-19.3,;-7.24,-20.65,;-6.43,-21.96,;-4.88,-21.91,;-4.16,-20.55,;-1.24,-15.27,;-1.24,-13.74,;.1,-12.96,;1.43,-13.74,;1.43,-15.28,;.08,-16.05,;.08,-17.59,;-1.26,-18.35,;1.41,-18.36,;1.4,-19.9,;2.73,-20.67,;4.06,-19.91,;5.38,-20.69,;6.72,-19.94,;6.74,-18.4,;5.41,-17.61,;4.08,-18.37,;2.75,-17.59,;2.77,-12.98,;2.78,-11.44,;4.1,-13.75,;5.43,-12.98,;4.65,-11.66,;6.19,-11.65,;6.77,-13.76,;6.75,-15.3,;8.09,-16.08,;9.44,-15.31,;10.78,-16.07,;12.11,-15.29,;12.1,-13.73,;10.75,-12.98,;9.43,-13.76,;8.1,-12.99,)| Show InChI InChI=1S/C41H38N4O5S/c1-2-3-17-38-39(37(27-46)42-45(38)33-15-5-4-6-16-33)35-21-19-31(25-36(35)41(48)44-23-22-29-12-8-10-14-32(29)26-44)40(47)43-51(49,50)34-20-18-28-11-7-9-13-30(28)24-34/h4-16,18-21,24-25,46H,2-3,17,22-23,26-27H2,1H3,(H,43,47) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research
Curated by ChEMBL
| Assay Description
Inhibition of biotin-labelled Bcl-xL using [FAM]-IWIAQELRRIGDEFNAYY-NH2 as substrate after 60 mins by FRET analysis |
Bioorg Med Chem Lett 22: 3951-6 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.106
BindingDB Entry DOI: 10.7270/Q2416Z2Z |
More data for this
Ligand-Target Pair | |
Bcl-2-like protein 1
(Homo sapiens (Human)) | BDBM50384326
(CHEMBL2030861)Show SMILES CCCCc1c(c(CO)nn1-c1ccccc1)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)CC[Si](C)(C)C |(33.41,-39.78,;34.7,-40.62,;36.07,-39.92,;36.15,-38.39,;37.53,-37.68,;38.96,-37.09,;38.83,-35.56,;40,-34.56,;39.72,-33.04,;37.33,-35.2,;36.53,-36.51,;35,-36.53,;34.22,-35.2,;32.68,-35.21,;31.92,-36.55,;32.71,-37.88,;34.24,-37.86,;40.27,-37.9,;41.62,-37.16,;42.94,-37.97,;42.9,-39.51,;41.54,-40.24,;40.23,-39.43,;38.87,-40.17,;37.56,-39.36,;38.83,-41.71,;37.48,-42.44,;37.43,-43.97,;38.74,-44.78,;38.69,-46.31,;39.99,-47.13,;41.35,-46.4,;41.41,-44.86,;40.1,-44.05,;40.15,-42.51,;44.21,-40.32,;45.57,-39.59,;44.17,-41.86,;45.48,-42.66,;46.27,-41.34,;47.02,-42.69,;45.43,-44.21,;46.75,-45.01,;46.72,-46.55,;48.03,-47.35,;45.37,-47.29,;46.7,-48.08,)| Show InChI InChI=1S/C36H44N4O5SSi/c1-5-6-16-33-34(32(25-41)37-40(33)29-14-8-7-9-15-29)30-18-17-27(35(42)38-46(44,45)21-22-47(2,3)4)23-31(30)36(43)39-20-19-26-12-10-11-13-28(26)24-39/h7-15,17-18,23,41H,5-6,16,19-22,24-25H2,1-4H3,(H,38,42) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research
Curated by ChEMBL
| Assay Description
Inhibition of biotin-labelled Bcl-xL using [FAM]-IWIAQELRRIGDEFNAYY-NH2 as substrate after 60 mins by FRET analysis |
Bioorg Med Chem Lett 22: 3951-6 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.106
BindingDB Entry DOI: 10.7270/Q2416Z2Z |
More data for this
Ligand-Target Pair | |
Bcl-2-like protein 1
(Homo sapiens (Human)) | BDBM50384320
(CHEMBL2030855)Show SMILES CCCCc1c(c(CO)nn1-c1ccc(cc1)-c1ccccc1)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2ccccc2c1 |(46.25,-7.57,;44.94,-6.76,;44.98,-5.22,;43.67,-4.42,;43.72,-2.87,;43.88,-1.34,;42.47,-.71,;42.15,.8,;40.69,1.27,;41.44,-1.85,;42.21,-3.19,;41.49,-4.54,;39.95,-4.59,;39.22,-5.94,;40.03,-7.25,;41.58,-7.2,;42.3,-5.84,;39.31,-8.61,;37.77,-8.66,;37.04,-10.02,;37.86,-11.32,;39.4,-11.27,;40.12,-9.91,;45.22,-.57,;45.22,.97,;46.56,1.74,;47.89,.97,;47.89,-.57,;46.54,-1.34,;46.54,-2.88,;45.2,-3.64,;47.87,-3.65,;47.86,-5.19,;49.19,-5.97,;50.52,-5.21,;51.84,-5.98,;53.18,-5.23,;53.2,-3.69,;51.87,-2.9,;50.54,-3.67,;49.21,-2.88,;49.23,1.73,;49.24,3.27,;50.56,.95,;51.89,1.72,;51.11,3.05,;52.65,3.06,;53.23,.94,;53.21,-.6,;54.55,-1.38,;55.9,-.6,;57.24,-1.36,;58.57,-.58,;58.56,.97,;57.21,1.73,;55.89,.94,;54.56,1.72,)| Show InChI InChI=1S/C47H42N4O5S/c1-2-3-17-44-45(43(31-52)48-51(44)39-22-18-35(19-23-39)32-11-5-4-6-12-32)41-25-21-37(29-42(41)47(54)50-27-26-34-14-8-10-16-38(34)30-50)46(53)49-57(55,56)40-24-20-33-13-7-9-15-36(33)28-40/h4-16,18-25,28-29,52H,2-3,17,26-27,30-31H2,1H3,(H,49,53) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research
Curated by ChEMBL
| Assay Description
Inhibition of biotin-labelled Bcl-xL using [FAM]-IWIAQELRRIGDEFNAYY-NH2 as substrate after 60 mins by FRET analysis |
Bioorg Med Chem Lett 22: 3951-6 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.106
BindingDB Entry DOI: 10.7270/Q2416Z2Z |
More data for this
Ligand-Target Pair | |
Apoptosis regulator Bcl-2
(Homo sapiens (Human)) | BDBM50384322
(CHEMBL2030857)Show SMILES CCCCc1c(c(CO)nn1-c1ccc(CCCO)cc1)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2ccccc2c1 |(23.77,-26.25,;22.46,-25.44,;22.51,-23.9,;21.2,-23.1,;21.24,-21.55,;21.4,-20.02,;20,-19.39,;19.68,-17.88,;18.21,-17.41,;18.97,-20.53,;19.73,-21.87,;19.01,-23.22,;17.47,-23.27,;16.74,-24.62,;17.55,-25.93,;16.83,-27.29,;15.29,-27.34,;14.57,-28.7,;13.03,-28.75,;19.1,-25.88,;19.82,-24.52,;22.74,-19.25,;22.74,-17.71,;24.08,-16.94,;25.42,-17.71,;25.41,-19.25,;24.07,-20.02,;24.06,-21.56,;22.72,-22.32,;25.39,-22.33,;25.39,-23.87,;26.71,-24.65,;28.05,-23.89,;29.37,-24.66,;30.71,-23.91,;30.72,-22.37,;29.39,-21.58,;28.06,-22.35,;26.73,-21.56,;26.75,-16.95,;26.76,-15.41,;28.08,-17.73,;29.41,-16.96,;28.63,-15.63,;30.17,-15.62,;30.75,-17.74,;30.74,-19.28,;32.07,-20.06,;33.42,-19.28,;34.76,-20.04,;36.1,-19.26,;36.08,-17.71,;34.73,-16.95,;33.41,-17.74,;32.08,-16.96,)| Show InChI InChI=1S/C44H44N4O6S/c1-2-3-14-41-42(40(29-50)45-48(41)36-19-15-30(16-20-36)9-8-25-49)38-22-18-34(27-39(38)44(52)47-24-23-32-11-5-7-13-35(32)28-47)43(51)46-55(53,54)37-21-17-31-10-4-6-12-33(31)26-37/h4-7,10-13,15-22,26-27,49-50H,2-3,8-9,14,23-25,28-29H2,1H3,(H,46,51) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research
Curated by ChEMBL
| Assay Description
Inhibition of GST-tagged Bcl2 using [FAM]-IWIAQELRRIGDEFNAYY-NH2 as substrate after 60 mins by fluorescence polarization assay |
Bioorg Med Chem Lett 22: 3951-6 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.106
BindingDB Entry DOI: 10.7270/Q2416Z2Z |
More data for this
Ligand-Target Pair | |
Bcl-2-like protein 1
(Homo sapiens (Human)) | BDBM50384339
(CHEMBL2031008 | US9346795, 329)Show SMILES CCCN(CCC)c1ncc(Cl)c(n1)-c1ccc(cc1C(=O)N1Cc2ccccc2C[C@H]1CN)C(=O)NS(=O)(=O)c1ccc2cccc(Cl)c2c1 |r| Show InChI InChI=1S/C38H38Cl2N6O4S/c1-3-16-45(17-4-2)38-42-22-34(40)35(43-38)30-15-13-26(19-32(30)37(48)46-23-27-9-6-5-8-25(27)18-28(46)21-41)36(47)44-51(49,50)29-14-12-24-10-7-11-33(39)31(24)20-29/h5-15,19-20,22,28H,3-4,16-18,21,23,41H2,1-2H3,(H,44,47)/t28-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research
Curated by ChEMBL
| Assay Description
Inhibition of biotin-labelled Bcl-xL using [FAM]-IWIAQELRRIGDEFNAYY-NH2 as substrate after 60 mins by FRET analysis |
Bioorg Med Chem Lett 22: 3951-6 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.106
BindingDB Entry DOI: 10.7270/Q2416Z2Z |
More data for this
Ligand-Target Pair | |
Apoptosis regulator Bcl-2
(Homo sapiens (Human)) | BDBM50384339
(CHEMBL2031008 | US9346795, 329)Show SMILES CCCN(CCC)c1ncc(Cl)c(n1)-c1ccc(cc1C(=O)N1Cc2ccccc2C[C@H]1CN)C(=O)NS(=O)(=O)c1ccc2cccc(Cl)c2c1 |r| Show InChI InChI=1S/C38H38Cl2N6O4S/c1-3-16-45(17-4-2)38-42-22-34(40)35(43-38)30-15-13-26(19-32(30)37(48)46-23-27-9-6-5-8-25(27)18-28(46)21-41)36(47)44-51(49,50)29-14-12-24-10-7-11-33(39)31(24)20-29/h5-15,19-20,22,28H,3-4,16-18,21,23,41H2,1-2H3,(H,44,47)/t28-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research
Curated by ChEMBL
| Assay Description
Inhibition of GST-tagged Bcl2 using [FAM]-IWIAQELRRIGDEFNAYY-NH2 as substrate after 60 mins by fluorescence polarization assay |
Bioorg Med Chem Lett 22: 3951-6 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.106
BindingDB Entry DOI: 10.7270/Q2416Z2Z |
More data for this
Ligand-Target Pair | |
Bcl-2-like protein 1
(Homo sapiens (Human)) | BDBM50384329
(CHEMBL2030864 | US9346795, 252)Show SMILES CCCCc1c(c(CO)nn1-c1ccc(Oc2cccc(Cl)c2)cc1)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2cccc(Cl)c2c1 |(-.35,-2.86,;.94,-3.7,;2.31,-3,;2.4,-1.46,;3.78,-.76,;5.2,-.17,;5.07,1.37,;6.24,2.37,;5.96,3.88,;3.58,1.72,;2.77,.41,;1.24,.4,;.46,1.73,;-1.08,1.72,;-1.84,.38,;-3.38,.36,;-4.16,1.69,;-5.7,1.67,;-6.48,2.99,;-5.73,4.34,;-4.19,4.35,;-3.43,5.69,;-3.41,3.02,;-1.05,-.96,;.48,-.94,;6.51,-.97,;7.86,-.24,;9.19,-1.04,;9.14,-2.59,;7.79,-3.32,;6.47,-2.51,;5.12,-3.24,;3.81,-2.43,;5.07,-4.78,;3.72,-5.51,;3.68,-7.04,;4.98,-7.85,;4.93,-9.38,;6.24,-10.2,;7.59,-9.48,;7.65,-7.93,;6.34,-7.13,;6.39,-5.58,;10.45,-3.39,;11.81,-2.66,;10.41,-4.93,;11.73,-5.75,;10.95,-7.08,;12.49,-7.08,;13.07,-4.99,;13.1,-3.45,;14.44,-2.69,;15.76,-3.47,;17.11,-2.71,;18.44,-3.49,;18.43,-5.05,;17.08,-5.81,;17.06,-7.35,;15.75,-5.02,;14.4,-5.78,)| Show InChI InChI=1S/C47H40Cl2N4O6S/c1-2-3-14-44-45(43(29-54)50-53(44)35-17-19-36(20-18-35)59-37-12-7-11-34(48)26-37)39-22-16-32(25-41(39)47(56)52-24-23-30-8-4-5-9-33(30)28-52)46(55)51-60(57,58)38-21-15-31-10-6-13-42(49)40(31)27-38/h4-13,15-22,25-27,54H,2-3,14,23-24,28-29H2,1H3,(H,51,55) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research
Curated by ChEMBL
| Assay Description
Inhibition of biotin-labelled Bcl-xL using [FAM]-IWIAQELRRIGDEFNAYY-NH2 as substrate after 60 mins by FRET analysis |
Bioorg Med Chem Lett 22: 3951-6 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.106
BindingDB Entry DOI: 10.7270/Q2416Z2Z |
More data for this
Ligand-Target Pair | |
Bcl-2-like protein 1
(Homo sapiens (Human)) | BDBM50384323
(CHEMBL2030858)Show SMILES CCCCc1c(c(CO)nn1-c1cccc(CO)c1)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2ccccc2c1 |(48.56,-26.2,;47.25,-25.39,;47.3,-23.85,;45.99,-23.04,;46.03,-21.5,;46.2,-19.96,;44.79,-19.34,;44.47,-17.83,;43,-17.35,;43.76,-20.48,;44.52,-21.82,;43.8,-23.17,;42.26,-23.22,;41.53,-24.57,;42.34,-25.88,;43.89,-25.83,;44.71,-27.13,;43.99,-28.49,;44.61,-24.47,;47.53,-19.2,;47.53,-17.66,;48.87,-16.88,;50.21,-17.66,;50.2,-19.2,;48.86,-19.97,;48.85,-21.51,;47.52,-22.27,;50.18,-22.28,;50.18,-23.82,;51.5,-24.59,;52.84,-23.83,;54.16,-24.61,;55.5,-23.86,;55.51,-22.32,;54.19,-21.53,;52.85,-22.29,;51.52,-21.51,;51.54,-16.9,;51.55,-15.36,;52.87,-17.67,;54.21,-16.91,;53.43,-15.58,;54.97,-15.57,;55.54,-17.69,;55.53,-19.23,;56.86,-20.01,;58.21,-19.23,;59.56,-19.99,;60.89,-19.21,;60.87,-17.65,;59.53,-16.9,;58.2,-17.68,;56.87,-16.91,)| Show InChI InChI=1S/C42H40N4O6S/c1-2-3-15-39-40(38(27-48)43-46(39)34-14-8-9-28(22-34)26-47)36-19-17-32(24-37(36)42(50)45-21-20-30-11-5-7-13-33(30)25-45)41(49)44-53(51,52)35-18-16-29-10-4-6-12-31(29)23-35/h4-14,16-19,22-24,47-48H,2-3,15,20-21,25-27H2,1H3,(H,44,49) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
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| CHEMBL
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PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research
Curated by ChEMBL
| Assay Description
Inhibition of biotin-labelled Bcl-xL using [FAM]-IWIAQELRRIGDEFNAYY-NH2 as substrate after 60 mins by FRET analysis |
Bioorg Med Chem Lett 22: 3951-6 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.106
BindingDB Entry DOI: 10.7270/Q2416Z2Z |
More data for this
Ligand-Target Pair | |
Bcl-2-like protein 1
(Homo sapiens (Human)) | BDBM50384318
(CHEMBL2030853 | US9346795, 243)Show SMILES CCCCc1c(c(CO)nn1-c1ccc(Oc2cccc(Cl)c2)cc1)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2ccccc2c1 |(-1.41,-6.84,;-2.72,-6.03,;-2.67,-4.49,;-3.99,-3.68,;-3.94,-2.14,;-3.78,-.6,;-5.18,.02,;-5.5,1.53,;-6.97,2,;-6.22,-1.12,;-5.45,-2.46,;-6.17,-3.81,;-7.71,-3.86,;-8.44,-5.21,;-7.63,-6.52,;-8.35,-7.88,;-7.53,-9.19,;-8.27,-10.54,;-7.45,-11.85,;-5.91,-11.8,;-5.19,-10.43,;-3.65,-10.37,;-6,-9.13,;-6.08,-6.47,;-5.36,-5.11,;-2.44,.16,;-2.44,1.7,;-1.1,2.48,;.23,1.7,;.23,.16,;-1.11,-.61,;-1.12,-2.15,;-2.46,-2.91,;.21,-2.92,;.21,-4.46,;1.53,-5.23,;2.86,-4.47,;4.18,-5.25,;5.53,-4.5,;5.54,-2.96,;4.21,-2.17,;2.88,-2.93,;1.55,-2.15,;1.57,2.46,;1.58,4,;2.9,1.69,;4.23,2.45,;3.45,3.78,;4.99,3.79,;5.57,1.67,;5.56,.13,;6.89,-.65,;8.24,.13,;9.58,-.63,;10.92,.15,;10.9,1.71,;9.55,2.46,;8.23,1.68,;6.9,2.45,)| Show InChI InChI=1S/C47H41ClN4O6S/c1-2-3-15-44-45(43(30-53)49-52(44)37-18-20-38(21-19-37)58-39-14-8-13-36(48)28-39)41-23-17-34(27-42(41)47(55)51-25-24-32-10-5-7-12-35(32)29-51)46(54)50-59(56,57)40-22-16-31-9-4-6-11-33(31)26-40/h4-14,16-23,26-28,53H,2-3,15,24-25,29-30H2,1H3,(H,50,54) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research
Curated by ChEMBL
| Assay Description
Inhibition of biotin-labelled Bcl-xL using [FAM]-IWIAQELRRIGDEFNAYY-NH2 as substrate after 60 mins by FRET analysis |
Bioorg Med Chem Lett 22: 3951-6 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.106
BindingDB Entry DOI: 10.7270/Q2416Z2Z |
More data for this
Ligand-Target Pair | |
Apoptosis regulator Bcl-2
(Homo sapiens (Human)) | BDBM50384321
(CHEMBL2030856 | US9346795, 245)Show SMILES CCCCc1c(c(CO)nn1-c1ccc(CCO)cc1)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2ccccc2c1 |(-.54,-26.2,;-1.85,-25.39,;-1.8,-23.85,;-3.11,-23.04,;-3.07,-21.5,;-2.91,-19.96,;-4.31,-19.34,;-4.63,-17.83,;-6.1,-17.35,;-5.34,-20.48,;-4.58,-21.81,;-5.3,-23.17,;-6.84,-23.22,;-7.57,-24.57,;-6.76,-25.88,;-7.48,-27.24,;-9.02,-27.29,;-9.75,-28.65,;-5.21,-25.83,;-4.49,-24.47,;-1.57,-19.19,;-1.57,-17.66,;-.23,-16.88,;1.11,-17.66,;1.1,-19.2,;-.24,-19.97,;-.25,-21.51,;-1.59,-22.27,;1.08,-22.28,;1.08,-23.82,;2.4,-24.59,;3.74,-23.83,;5.06,-24.61,;6.4,-23.86,;6.41,-22.32,;5.08,-21.53,;3.75,-22.29,;2.42,-21.51,;2.44,-16.9,;2.45,-15.36,;3.77,-17.67,;5.1,-16.9,;4.32,-15.58,;5.86,-15.57,;6.44,-17.68,;6.43,-19.22,;7.76,-20,;9.11,-19.23,;10.45,-19.99,;11.79,-19.21,;11.77,-17.65,;10.42,-16.9,;9.1,-17.68,;7.77,-16.91,)| Show InChI InChI=1S/C43H42N4O6S/c1-2-3-12-40-41(39(28-49)44-47(40)35-17-13-29(14-18-35)22-24-48)37-20-16-33(26-38(37)43(51)46-23-21-31-9-5-7-11-34(31)27-46)42(50)45-54(52,53)36-19-15-30-8-4-6-10-32(30)25-36/h4-11,13-20,25-26,48-49H,2-3,12,21-24,27-28H2,1H3,(H,45,50) | PDB
UniProtKB/SwissProt
antibodypedia
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AffyNet
| CHEMBL
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PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research
Curated by ChEMBL
| Assay Description
Inhibition of GST-tagged Bcl2 using [FAM]-IWIAQELRRIGDEFNAYY-NH2 as substrate after 60 mins by fluorescence polarization assay |
Bioorg Med Chem Lett 22: 3951-6 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.106
BindingDB Entry DOI: 10.7270/Q2416Z2Z |
More data for this
Ligand-Target Pair | |
Apoptosis regulator Bcl-2
(Homo sapiens (Human)) | BDBM50384317
(CHEMBL2030852 | US9346795, 242)Show SMILES CCCCc1c(c(CO)nn1-c1ccc(Oc2ccc(Cl)cc2)cc1)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2ccccc2c1 |(47.67,-42.35,;46.36,-41.54,;46.4,-40,;45.09,-39.19,;45.14,-37.65,;45.3,-36.11,;43.89,-35.49,;43.58,-33.98,;42.11,-33.5,;42.86,-36.63,;43.63,-37.96,;42.91,-39.32,;41.37,-39.37,;40.64,-40.72,;41.45,-42.03,;40.73,-43.39,;41.54,-44.69,;40.81,-46.05,;41.63,-47.36,;43.17,-47.31,;43.98,-48.61,;43.89,-45.94,;43.07,-44.64,;43,-41.98,;43.72,-40.62,;46.64,-35.34,;46.64,-33.81,;47.98,-33.03,;49.31,-33.81,;49.31,-35.35,;47.96,-36.12,;47.96,-37.66,;46.62,-38.42,;49.29,-38.43,;49.28,-39.97,;50.61,-40.74,;51.94,-39.98,;53.26,-40.76,;54.6,-40.01,;54.62,-38.47,;53.29,-37.68,;51.96,-38.44,;50.63,-37.66,;50.65,-33.05,;50.66,-31.51,;51.98,-33.82,;53.31,-33.06,;52.53,-31.73,;54.07,-31.72,;54.65,-33.83,;54.63,-35.38,;55.97,-36.15,;57.32,-35.38,;58.66,-36.14,;59.99,-35.36,;59.98,-33.8,;58.63,-33.05,;57.31,-33.83,;55.98,-33.06,)| Show InChI InChI=1S/C47H41ClN4O6S/c1-2-3-12-44-45(43(30-53)49-52(44)37-17-21-39(22-18-37)58-38-19-15-36(48)16-20-38)41-24-14-34(28-42(41)47(55)51-26-25-32-9-5-7-11-35(32)29-51)46(54)50-59(56,57)40-23-13-31-8-4-6-10-33(31)27-40/h4-11,13-24,27-28,53H,2-3,12,25-26,29-30H2,1H3,(H,50,54) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 22 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research
Curated by ChEMBL
| Assay Description
Inhibition of GST-tagged Bcl2 using [FAM]-IWIAQELRRIGDEFNAYY-NH2 as substrate after 60 mins by fluorescence polarization assay |
Bioorg Med Chem Lett 22: 3951-6 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.106
BindingDB Entry DOI: 10.7270/Q2416Z2Z |
More data for this
Ligand-Target Pair | |
Apoptosis regulator Bcl-2
(Homo sapiens (Human)) | BDBM50384325
(CHEMBL2030860)Show SMILES CCCCc1c(c(CO)nn1-c1ccccc1)-c1ccc(cc1C(=O)N1Cc2ccccc2C[C@H]1CN)C(=O)NS(=O)(=O)c1ccc2ccccc2c1 |r,wU:34.39,(11.77,-38.55,;13.06,-39.38,;14.43,-38.69,;14.52,-37.15,;15.9,-36.45,;17.32,-35.86,;17.2,-34.32,;18.37,-33.32,;18.08,-31.81,;15.7,-33.96,;14.89,-35.28,;13.36,-35.29,;12.58,-33.96,;11.04,-33.97,;10.28,-35.31,;11.07,-36.64,;12.6,-36.63,;18.63,-36.66,;19.98,-35.92,;21.31,-36.73,;21.26,-38.28,;19.91,-39.01,;18.59,-38.2,;17.24,-38.93,;15.93,-38.12,;17.2,-40.47,;18.51,-41.27,;18.46,-42.82,;19.77,-43.62,;19.72,-45.16,;18.36,-45.89,;17.05,-45.07,;17.1,-43.54,;15.8,-42.73,;15.84,-41.2,;14.53,-40.39,;13.18,-41.12,;22.57,-39.08,;23.93,-38.35,;22.53,-40.62,;23.84,-41.42,;24.63,-40.1,;25.38,-41.45,;23.8,-42.97,;22.44,-43.7,;22.39,-45.24,;23.72,-46.05,;23.7,-47.6,;25.02,-48.39,;26.38,-47.63,;26.39,-46.09,;25.07,-45.3,;25.11,-43.77,)| Show InChI InChI=1S/C42H41N5O5S/c1-2-3-17-39-40(38(27-48)44-47(39)33-15-5-4-6-16-33)36-21-19-31(41(49)45-53(51,52)35-20-18-28-11-7-8-13-30(28)23-35)24-37(36)42(50)46-26-32-14-10-9-12-29(32)22-34(46)25-43/h4-16,18-21,23-24,34,48H,2-3,17,22,25-27,43H2,1H3,(H,45,49)/t34-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
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AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 24 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research
Curated by ChEMBL
| Assay Description
Inhibition of GST-tagged Bcl2 using [FAM]-IWIAQELRRIGDEFNAYY-NH2 as substrate after 60 mins by fluorescence polarization assay |
Bioorg Med Chem Lett 22: 3951-6 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.106
BindingDB Entry DOI: 10.7270/Q2416Z2Z |
More data for this
Ligand-Target Pair | |
Bcl-2-like protein 1
(Homo sapiens (Human)) | BDBM50384319
(CHEMBL2030854)Show SMILES CCCCOc1ccc(cc1)-n1nc(CO)c(c1CCCC)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2ccccc2c1 |(15.14,-13.86,;15.87,-12.5,;15.06,-11.2,;15.78,-9.84,;14.97,-8.53,;15.69,-7.18,;14.88,-5.87,;15.6,-4.51,;17.14,-4.46,;17.95,-5.77,;17.23,-7.12,;17.87,-3.11,;17.1,-1.78,;18.13,-.63,;17.81,.87,;16.35,1.35,;19.54,-1.26,;19.37,-2.79,;19.33,-4.34,;20.64,-5.15,;20.6,-6.68,;21.91,-7.49,;20.87,-.49,;20.87,1.05,;22.22,1.82,;23.55,1.04,;23.54,-.5,;22.2,-1.26,;22.2,-2.8,;20.86,-3.57,;23.53,-3.58,;23.52,-5.11,;24.84,-5.89,;26.18,-5.13,;27.5,-5.91,;28.84,-5.15,;28.86,-3.61,;27.53,-2.83,;26.19,-3.59,;24.86,-2.8,;24.89,1.81,;24.89,3.35,;26.22,1.03,;27.55,1.8,;26.77,3.13,;28.31,3.14,;28.88,1.02,;28.87,-.52,;30.2,-1.3,;31.55,-.52,;32.9,-1.29,;34.23,-.5,;34.21,1.05,;32.87,1.81,;31.54,1.02,;30.22,1.79,)| Show InChI InChI=1S/C45H46N4O6S/c1-3-5-15-42-43(41(30-50)46-49(42)36-18-20-37(21-19-36)55-26-6-4-2)39-23-17-34(28-40(39)45(52)48-25-24-32-12-8-10-14-35(32)29-48)44(51)47-56(53,54)38-22-16-31-11-7-9-13-33(31)27-38/h7-14,16-23,27-28,50H,3-6,15,24-26,29-30H2,1-2H3,(H,47,51) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 26 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research
Curated by ChEMBL
| Assay Description
Inhibition of biotin-labelled Bcl-xL using [FAM]-IWIAQELRRIGDEFNAYY-NH2 as substrate after 60 mins by FRET analysis |
Bioorg Med Chem Lett 22: 3951-6 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.106
BindingDB Entry DOI: 10.7270/Q2416Z2Z |
More data for this
Ligand-Target Pair | |
Bcl-2-like protein 1
(Homo sapiens (Human)) | BDBM50384311
(CHEMBL2030846)Show SMILES CCCCc1c(c(nn1-c1ccccc1)C(O)=O)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2ccccc2c1 |(47.07,-6.48,;45.76,-5.67,;45.8,-4.14,;44.49,-3.33,;44.54,-1.78,;44.7,-.25,;43.29,.38,;42.26,-.76,;43.03,-2.1,;42.31,-3.45,;40.77,-3.5,;40.04,-4.86,;40.85,-6.17,;42.4,-6.11,;43.12,-4.76,;42.98,1.89,;41.51,2.36,;44.12,2.92,;46.04,.52,;46.04,2.06,;47.38,2.83,;48.71,2.06,;48.71,.51,;47.36,-.25,;47.36,-1.79,;46.02,-2.55,;48.69,-2.57,;48.69,-4.1,;50.01,-4.88,;51.34,-4.12,;52.66,-4.9,;54.01,-4.14,;54.02,-2.6,;52.69,-1.82,;51.36,-2.58,;50.03,-1.79,;50.05,2.82,;50.06,4.36,;51.38,2.04,;52.71,2.81,;51.93,4.14,;53.47,4.15,;54.05,2.03,;54.04,.49,;55.37,-.29,;56.72,.49,;58.06,-.27,;59.4,.51,;59.38,2.06,;58.03,2.82,;56.71,2.03,;55.38,2.8,)| Show InChI InChI=1S/C41H36N4O6S/c1-2-3-17-36-37(38(41(48)49)42-45(36)32-15-5-4-6-16-32)34-21-19-30(25-35(34)40(47)44-23-22-28-12-8-10-14-31(28)26-44)39(46)43-52(50,51)33-20-18-27-11-7-9-13-29(27)24-33/h4-16,18-21,24-25H,2-3,17,22-23,26H2,1H3,(H,43,46)(H,48,49) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research
Curated by ChEMBL
| Assay Description
Inhibition of biotin-labelled Bcl-xL using [FAM]-IWIAQELRRIGDEFNAYY-NH2 as substrate after 60 mins by FRET analysis |
Bioorg Med Chem Lett 22: 3951-6 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.106
BindingDB Entry DOI: 10.7270/Q2416Z2Z |
More data for this
Ligand-Target Pair | |
Bcl-2-like protein 1
(Homo sapiens (Human)) | BDBM50384317
(CHEMBL2030852 | US9346795, 242)Show SMILES CCCCc1c(c(CO)nn1-c1ccc(Oc2ccc(Cl)cc2)cc1)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2ccccc2c1 |(47.67,-42.35,;46.36,-41.54,;46.4,-40,;45.09,-39.19,;45.14,-37.65,;45.3,-36.11,;43.89,-35.49,;43.58,-33.98,;42.11,-33.5,;42.86,-36.63,;43.63,-37.96,;42.91,-39.32,;41.37,-39.37,;40.64,-40.72,;41.45,-42.03,;40.73,-43.39,;41.54,-44.69,;40.81,-46.05,;41.63,-47.36,;43.17,-47.31,;43.98,-48.61,;43.89,-45.94,;43.07,-44.64,;43,-41.98,;43.72,-40.62,;46.64,-35.34,;46.64,-33.81,;47.98,-33.03,;49.31,-33.81,;49.31,-35.35,;47.96,-36.12,;47.96,-37.66,;46.62,-38.42,;49.29,-38.43,;49.28,-39.97,;50.61,-40.74,;51.94,-39.98,;53.26,-40.76,;54.6,-40.01,;54.62,-38.47,;53.29,-37.68,;51.96,-38.44,;50.63,-37.66,;50.65,-33.05,;50.66,-31.51,;51.98,-33.82,;53.31,-33.06,;52.53,-31.73,;54.07,-31.72,;54.65,-33.83,;54.63,-35.38,;55.97,-36.15,;57.32,-35.38,;58.66,-36.14,;59.99,-35.36,;59.98,-33.8,;58.63,-33.05,;57.31,-33.83,;55.98,-33.06,)| Show InChI InChI=1S/C47H41ClN4O6S/c1-2-3-12-44-45(43(30-53)49-52(44)37-17-21-39(22-18-37)58-38-19-15-36(48)16-20-38)41-24-14-34(28-42(41)47(55)51-26-25-32-9-5-7-11-35(32)29-51)46(54)50-59(56,57)40-23-13-31-8-4-6-10-33(31)27-40/h4-11,13-24,27-28,53H,2-3,12,25-26,29-30H2,1H3,(H,50,54) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 35 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research
Curated by ChEMBL
| Assay Description
Inhibition of biotin-labelled Bcl-xL using [FAM]-IWIAQELRRIGDEFNAYY-NH2 as substrate after 60 mins by FRET analysis |
Bioorg Med Chem Lett 22: 3951-6 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.106
BindingDB Entry DOI: 10.7270/Q2416Z2Z |
More data for this
Ligand-Target Pair | |
Bcl-2-like protein 1
(Homo sapiens (Human)) | BDBM50384316
(CHEMBL2030851 | US9346795, 241)Show SMILES CCCCc1c(c(CO)nn1-c1ccc(Oc2ccccc2)cc1)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2ccccc2c1 |(23.83,-40.71,;22.52,-39.91,;22.56,-38.37,;21.25,-37.56,;21.29,-36.01,;21.46,-34.48,;20.05,-33.85,;19.73,-32.35,;18.27,-31.87,;19.02,-35,;19.79,-36.33,;19.06,-37.69,;17.52,-37.73,;16.8,-39.09,;17.61,-40.4,;16.89,-41.75,;17.7,-43.06,;16.97,-44.42,;17.78,-45.72,;19.32,-45.67,;20.05,-44.3,;19.23,-43,;19.16,-40.34,;19.88,-38.99,;22.79,-33.71,;22.79,-32.17,;24.14,-31.4,;25.47,-32.18,;25.46,-33.72,;24.12,-34.48,;24.12,-36.02,;22.78,-36.79,;25.45,-36.8,;25.44,-38.33,;26.76,-39.11,;28.1,-38.35,;29.42,-39.13,;30.76,-38.38,;30.78,-36.84,;29.45,-36.05,;28.12,-36.81,;26.78,-36.03,;26.81,-31.41,;26.81,-29.87,;28.14,-32.19,;29.47,-31.42,;28.69,-30.09,;30.23,-30.08,;30.8,-32.2,;30.79,-33.74,;32.12,-34.52,;33.47,-33.75,;34.82,-34.51,;36.15,-33.72,;36.13,-32.17,;34.79,-31.42,;33.46,-32.2,;32.14,-31.43,)| Show InChI InChI=1S/C47H42N4O6S/c1-2-3-17-44-45(43(31-52)48-51(44)37-20-22-39(23-21-37)57-38-15-5-4-6-16-38)41-25-19-35(29-42(41)47(54)50-27-26-33-12-8-10-14-36(33)30-50)46(53)49-58(55,56)40-24-18-32-11-7-9-13-34(32)28-40/h4-16,18-25,28-29,52H,2-3,17,26-27,30-31H2,1H3,(H,49,53) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 35 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research
Curated by ChEMBL
| Assay Description
Inhibition of biotin-labelled Bcl-xL using [FAM]-IWIAQELRRIGDEFNAYY-NH2 as substrate after 60 mins by FRET analysis |
Bioorg Med Chem Lett 22: 3951-6 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.106
BindingDB Entry DOI: 10.7270/Q2416Z2Z |
More data for this
Ligand-Target Pair | |
Bcl-2-like protein 1
(Homo sapiens (Human)) | BDBM50384310
(CHEMBL2030845)Show SMILES CCCCc1c(c(nn1-c1ccccc1)C(=O)OCC)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2ccccc2c1 |(24.15,-7.18,;22.84,-6.37,;22.88,-4.84,;21.57,-4.03,;21.62,-2.48,;21.78,-.95,;20.37,-.32,;19.34,-1.46,;20.11,-2.8,;19.39,-4.15,;17.84,-4.2,;17.12,-5.56,;17.93,-6.87,;19.48,-6.81,;20.2,-5.46,;20.05,1.19,;21.2,2.22,;18.59,1.66,;18.27,3.17,;16.81,3.65,;23.12,-.18,;23.12,1.36,;24.46,2.13,;25.79,1.36,;25.79,-.19,;24.44,-.95,;24.44,-2.49,;23.1,-3.25,;25.77,-3.27,;25.76,-4.8,;27.09,-5.58,;28.42,-4.82,;29.74,-5.6,;31.08,-4.84,;31.1,-3.3,;29.77,-2.52,;28.44,-3.28,;27.11,-2.49,;27.13,2.12,;27.14,3.66,;28.46,1.34,;29.79,2.11,;29.01,3.44,;30.55,3.45,;31.13,1.33,;31.11,-.21,;32.45,-.99,;33.8,-.21,;35.14,-.97,;36.47,-.19,;36.46,1.36,;35.11,2.12,;33.79,1.33,;32.46,2.1,)| Show InChI InChI=1S/C43H40N4O6S/c1-3-5-19-38-39(40(43(50)53-4-2)44-47(38)34-17-7-6-8-18-34)36-23-21-32(27-37(36)42(49)46-25-24-30-14-10-12-16-33(30)28-46)41(48)45-54(51,52)35-22-20-29-13-9-11-15-31(29)26-35/h6-18,20-23,26-27H,3-5,19,24-25,28H2,1-2H3,(H,45,48) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 42 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research
Curated by ChEMBL
| Assay Description
Inhibition of biotin-labelled Bcl-xL using [FAM]-IWIAQELRRIGDEFNAYY-NH2 as substrate after 60 mins by FRET analysis |
Bioorg Med Chem Lett 22: 3951-6 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.106
BindingDB Entry DOI: 10.7270/Q2416Z2Z |
More data for this
Ligand-Target Pair | |
Apoptosis regulator Bcl-2
(Homo sapiens (Human)) | BDBM50384319
(CHEMBL2030854)Show SMILES CCCCOc1ccc(cc1)-n1nc(CO)c(c1CCCC)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2ccccc2c1 |(15.14,-13.86,;15.87,-12.5,;15.06,-11.2,;15.78,-9.84,;14.97,-8.53,;15.69,-7.18,;14.88,-5.87,;15.6,-4.51,;17.14,-4.46,;17.95,-5.77,;17.23,-7.12,;17.87,-3.11,;17.1,-1.78,;18.13,-.63,;17.81,.87,;16.35,1.35,;19.54,-1.26,;19.37,-2.79,;19.33,-4.34,;20.64,-5.15,;20.6,-6.68,;21.91,-7.49,;20.87,-.49,;20.87,1.05,;22.22,1.82,;23.55,1.04,;23.54,-.5,;22.2,-1.26,;22.2,-2.8,;20.86,-3.57,;23.53,-3.58,;23.52,-5.11,;24.84,-5.89,;26.18,-5.13,;27.5,-5.91,;28.84,-5.15,;28.86,-3.61,;27.53,-2.83,;26.19,-3.59,;24.86,-2.8,;24.89,1.81,;24.89,3.35,;26.22,1.03,;27.55,1.8,;26.77,3.13,;28.31,3.14,;28.88,1.02,;28.87,-.52,;30.2,-1.3,;31.55,-.52,;32.9,-1.29,;34.23,-.5,;34.21,1.05,;32.87,1.81,;31.54,1.02,;30.22,1.79,)| Show InChI InChI=1S/C45H46N4O6S/c1-3-5-15-42-43(41(30-50)46-49(42)36-18-20-37(21-19-36)55-26-6-4-2)39-23-17-34(28-40(39)45(52)48-25-24-32-12-8-10-14-35(32)29-48)44(51)47-56(53,54)38-22-16-31-11-7-9-13-33(31)27-38/h7-14,16-23,27-28,50H,3-6,15,24-26,29-30H2,1-2H3,(H,47,51) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 45 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research
Curated by ChEMBL
| Assay Description
Inhibition of GST-tagged Bcl2 using [FAM]-IWIAQELRRIGDEFNAYY-NH2 as substrate after 60 mins by fluorescence polarization assay |
Bioorg Med Chem Lett 22: 3951-6 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.106
BindingDB Entry DOI: 10.7270/Q2416Z2Z |
More data for this
Ligand-Target Pair | |
Bcl-2-like protein 1
(Homo sapiens (Human)) | BDBM50384313
(CHEMBL2030848)Show SMILES CCCCc1c(c(nn1-c1ccc(OC)cc1)C(=O)OCC)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2ccccc2c1 |(24.33,-23.45,;23.02,-22.64,;23.06,-21.1,;21.75,-20.29,;21.8,-18.74,;21.96,-17.21,;20.55,-16.58,;19.52,-17.73,;20.29,-19.06,;19.56,-20.42,;18.02,-20.46,;17.3,-21.82,;18.11,-23.13,;17.39,-24.49,;18.2,-25.79,;19.66,-23.08,;20.38,-21.72,;20.23,-15.08,;21.38,-14.05,;18.77,-14.6,;18.45,-13.09,;16.99,-12.62,;23.29,-16.44,;23.29,-14.9,;24.64,-14.13,;25.97,-14.91,;25.96,-16.45,;24.62,-17.21,;24.62,-18.75,;23.28,-19.52,;25.95,-19.53,;25.94,-21.07,;27.27,-21.84,;28.6,-21.08,;29.92,-21.86,;31.26,-21.11,;31.28,-19.57,;29.95,-18.78,;28.62,-19.54,;27.29,-18.76,;27.31,-14.14,;27.32,-12.6,;28.64,-14.92,;29.97,-14.15,;29.19,-12.83,;30.73,-12.81,;31.31,-14.93,;31.29,-16.47,;32.63,-17.25,;33.98,-16.48,;35.32,-17.24,;36.65,-16.45,;36.64,-14.9,;35.29,-14.15,;33.97,-14.93,;32.64,-14.16,)| Show InChI InChI=1S/C44H42N4O7S/c1-4-6-15-39-40(41(44(51)55-5-2)45-48(39)34-18-20-35(54-3)21-19-34)37-23-17-32(27-38(37)43(50)47-25-24-30-12-8-10-14-33(30)28-47)42(49)46-56(52,53)36-22-16-29-11-7-9-13-31(29)26-36/h7-14,16-23,26-27H,4-6,15,24-25,28H2,1-3H3,(H,46,49) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 48 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research
Curated by ChEMBL
| Assay Description
Inhibition of biotin-labelled Bcl-xL using [FAM]-IWIAQELRRIGDEFNAYY-NH2 as substrate after 60 mins by FRET analysis |
Bioorg Med Chem Lett 22: 3951-6 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.106
BindingDB Entry DOI: 10.7270/Q2416Z2Z |
More data for this
Ligand-Target Pair | |
Bcl-2-like protein 1
(Homo sapiens (Human)) | BDBM50384315
(CHEMBL2030850 | US9346795, 228)Show SMILES CCCCc1c(c(nn1-c1ccc(Oc2ccccc2)cc1)C(=O)OCC)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2ccccc2c1 |(-1.21,-39.36,;-2.52,-38.55,;-2.47,-37.01,;-3.78,-36.2,;-3.74,-34.66,;-3.57,-33.12,;-4.98,-32.5,;-6.01,-33.64,;-5.25,-34.98,;-5.97,-36.33,;-7.51,-36.38,;-8.24,-37.73,;-7.43,-39.04,;-8.15,-40.4,;-7.33,-41.71,;-8.06,-43.06,;-7.25,-44.37,;-5.71,-44.32,;-4.99,-42.95,;-5.8,-41.65,;-5.88,-38.99,;-5.16,-37.63,;-5.3,-30.99,;-4.16,-29.96,;-6.77,-30.51,;-7.08,-29.01,;-8.55,-28.53,;-2.24,-32.36,;-2.24,-30.82,;-.9,-30.04,;.44,-30.82,;.43,-32.36,;-.91,-33.13,;-.92,-34.67,;-2.25,-35.43,;.41,-35.44,;.41,-36.98,;1.73,-37.75,;3.07,-36.99,;4.39,-37.77,;5.73,-37.02,;5.74,-35.48,;4.42,-34.69,;3.08,-35.45,;1.75,-34.67,;1.77,-30.06,;1.78,-28.52,;3.1,-30.83,;4.44,-30.07,;3.66,-28.74,;5.2,-28.73,;5.77,-30.85,;5.76,-32.39,;7.09,-33.17,;8.44,-32.39,;9.79,-33.15,;11.12,-32.37,;11.1,-30.81,;9.76,-30.06,;8.43,-30.84,;7.1,-30.07,)| Show InChI InChI=1S/C49H44N4O7S/c1-3-5-19-44-45(46(49(56)59-4-2)50-53(44)38-22-24-40(25-23-38)60-39-17-7-6-8-18-39)42-27-21-36(31-43(42)48(55)52-29-28-34-14-10-12-16-37(34)32-52)47(54)51-61(57,58)41-26-20-33-13-9-11-15-35(33)30-41/h6-18,20-27,30-31H,3-5,19,28-29,32H2,1-2H3,(H,51,54) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 55 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research
Curated by ChEMBL
| Assay Description
Inhibition of biotin-labelled Bcl-xL using [FAM]-IWIAQELRRIGDEFNAYY-NH2 as substrate after 60 mins by FRET analysis |
Bioorg Med Chem Lett 22: 3951-6 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.106
BindingDB Entry DOI: 10.7270/Q2416Z2Z |
More data for this
Ligand-Target Pair | |
Apoptosis regulator Bcl-2
(Homo sapiens (Human)) | BDBM50384312
(CHEMBL2030847)Show SMILES CCCCc1c(c(CO)nn1-c1ccccc1)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2ccccc2c1 |(-.21,-22.28,;-1.52,-21.47,;-1.48,-19.93,;-2.79,-19.12,;-2.74,-17.58,;-2.58,-16.04,;-3.99,-15.42,;-4.31,-13.91,;-5.77,-13.43,;-5.02,-16.56,;-4.25,-17.89,;-4.97,-19.25,;-6.52,-19.3,;-7.24,-20.65,;-6.43,-21.96,;-4.88,-21.91,;-4.16,-20.55,;-1.24,-15.27,;-1.24,-13.74,;.1,-12.96,;1.43,-13.74,;1.43,-15.28,;.08,-16.05,;.08,-17.59,;-1.26,-18.35,;1.41,-18.36,;1.4,-19.9,;2.73,-20.67,;4.06,-19.91,;5.38,-20.69,;6.72,-19.94,;6.74,-18.4,;5.41,-17.61,;4.08,-18.37,;2.75,-17.59,;2.77,-12.98,;2.78,-11.44,;4.1,-13.75,;5.43,-12.98,;4.65,-11.66,;6.19,-11.65,;6.77,-13.76,;6.75,-15.3,;8.09,-16.08,;9.44,-15.31,;10.78,-16.07,;12.11,-15.29,;12.1,-13.73,;10.75,-12.98,;9.43,-13.76,;8.1,-12.99,)| Show InChI InChI=1S/C41H38N4O5S/c1-2-3-17-38-39(37(27-46)42-45(38)33-15-5-4-6-16-33)35-21-19-31(25-36(35)41(48)44-23-22-29-12-8-10-14-32(29)26-44)40(47)43-51(49,50)34-20-18-28-11-7-9-13-30(28)24-34/h4-16,18-21,24-25,46H,2-3,17,22-23,26-27H2,1H3,(H,43,47) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 61 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research
Curated by ChEMBL
| Assay Description
Inhibition of GST-tagged Bcl2 using [FAM]-IWIAQELRRIGDEFNAYY-NH2 as substrate after 60 mins by fluorescence polarization assay |
Bioorg Med Chem Lett 22: 3951-6 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.106
BindingDB Entry DOI: 10.7270/Q2416Z2Z |
More data for this
Ligand-Target Pair | |
Apoptosis regulator Bcl-2
(Homo sapiens (Human)) | BDBM50384328
(CHEMBL2030863)Show SMILES CCCCCS(=O)(=O)NC(=O)c1ccc(-c2c(CO)nn(c2CCCC)-c2ccc(Oc3cccc(Cl)c3)cc2)c(c1)C(=O)N1CCc2ccccc2C1 |(32.41,-13.03,;32.45,-11.49,;31.13,-10.69,;31.17,-9.15,;29.85,-8.35,;29.89,-6.8,;30.69,-5.48,;31.43,-6.83,;28.58,-6,;28.63,-4.46,;29.98,-3.73,;27.32,-3.65,;27.36,-2.11,;26.04,-1.3,;24.69,-2.04,;23.37,-1.23,;23.25,.3,;24.42,1.3,;24.14,2.82,;21.75,.66,;20.95,-.65,;21.95,-1.82,;20.57,-2.53,;20.49,-4.06,;19.11,-4.76,;17.82,-3.92,;19.41,-.67,;18.63,.66,;17.09,.65,;16.33,-.69,;14.79,-.7,;14.01,.62,;12.47,.6,;11.7,1.92,;12.44,3.27,;13.98,3.28,;14.74,4.63,;14.76,1.96,;17.12,-2.02,;18.66,-2,;24.65,-3.57,;25.96,-4.38,;23.29,-4.31,;21.98,-3.5,;23.25,-5.84,;21.9,-6.58,;21.85,-8.11,;23.16,-8.92,;23.11,-10.45,;24.41,-11.27,;25.77,-10.54,;25.82,-9,;24.52,-8.19,;24.57,-6.65,)| Show InChI InChI=1S/C42H45ClN4O6S/c1-3-5-9-24-54(51,52)45-41(49)30-16-21-36(37(25-30)42(50)46-23-22-29-11-7-8-12-31(29)27-46)40-38(28-48)44-47(39(40)15-6-4-2)33-17-19-34(20-18-33)53-35-14-10-13-32(43)26-35/h7-8,10-14,16-21,25-26,48H,3-6,9,15,22-24,27-28H2,1-2H3,(H,45,49) | PDB
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| n/a | n/a | 65 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research
Curated by ChEMBL
| Assay Description
Inhibition of GST-tagged Bcl2 using [FAM]-IWIAQELRRIGDEFNAYY-NH2 as substrate after 60 mins by fluorescence polarization assay |
Bioorg Med Chem Lett 22: 3951-6 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.106
BindingDB Entry DOI: 10.7270/Q2416Z2Z |
More data for this
Ligand-Target Pair | |
Apoptosis regulator Bcl-2
(Homo sapiens (Human)) | BDBM50384323
(CHEMBL2030858)Show SMILES CCCCc1c(c(CO)nn1-c1cccc(CO)c1)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2ccccc2c1 |(48.56,-26.2,;47.25,-25.39,;47.3,-23.85,;45.99,-23.04,;46.03,-21.5,;46.2,-19.96,;44.79,-19.34,;44.47,-17.83,;43,-17.35,;43.76,-20.48,;44.52,-21.82,;43.8,-23.17,;42.26,-23.22,;41.53,-24.57,;42.34,-25.88,;43.89,-25.83,;44.71,-27.13,;43.99,-28.49,;44.61,-24.47,;47.53,-19.2,;47.53,-17.66,;48.87,-16.88,;50.21,-17.66,;50.2,-19.2,;48.86,-19.97,;48.85,-21.51,;47.52,-22.27,;50.18,-22.28,;50.18,-23.82,;51.5,-24.59,;52.84,-23.83,;54.16,-24.61,;55.5,-23.86,;55.51,-22.32,;54.19,-21.53,;52.85,-22.29,;51.52,-21.51,;51.54,-16.9,;51.55,-15.36,;52.87,-17.67,;54.21,-16.91,;53.43,-15.58,;54.97,-15.57,;55.54,-17.69,;55.53,-19.23,;56.86,-20.01,;58.21,-19.23,;59.56,-19.99,;60.89,-19.21,;60.87,-17.65,;59.53,-16.9,;58.2,-17.68,;56.87,-16.91,)| Show InChI InChI=1S/C42H40N4O6S/c1-2-3-15-39-40(38(27-48)43-46(39)34-14-8-9-28(22-34)26-47)36-19-17-32(24-37(36)42(50)45-21-20-30-11-5-7-13-33(30)25-45)41(49)44-53(51,52)35-18-16-29-10-4-6-12-31(29)23-35/h4-14,16-19,22-24,47-48H,2-3,15,20-21,25-27H2,1H3,(H,44,49) | PDB
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| n/a | n/a | 71 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research
Curated by ChEMBL
| Assay Description
Inhibition of GST-tagged Bcl2 using [FAM]-IWIAQELRRIGDEFNAYY-NH2 as substrate after 60 mins by fluorescence polarization assay |
Bioorg Med Chem Lett 22: 3951-6 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.106
BindingDB Entry DOI: 10.7270/Q2416Z2Z |
More data for this
Ligand-Target Pair | |
Apoptosis regulator Bcl-2
(Homo sapiens (Human)) | BDBM50384315
(CHEMBL2030850 | US9346795, 228)Show SMILES CCCCc1c(c(nn1-c1ccc(Oc2ccccc2)cc1)C(=O)OCC)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2ccccc2c1 |(-1.21,-39.36,;-2.52,-38.55,;-2.47,-37.01,;-3.78,-36.2,;-3.74,-34.66,;-3.57,-33.12,;-4.98,-32.5,;-6.01,-33.64,;-5.25,-34.98,;-5.97,-36.33,;-7.51,-36.38,;-8.24,-37.73,;-7.43,-39.04,;-8.15,-40.4,;-7.33,-41.71,;-8.06,-43.06,;-7.25,-44.37,;-5.71,-44.32,;-4.99,-42.95,;-5.8,-41.65,;-5.88,-38.99,;-5.16,-37.63,;-5.3,-30.99,;-4.16,-29.96,;-6.77,-30.51,;-7.08,-29.01,;-8.55,-28.53,;-2.24,-32.36,;-2.24,-30.82,;-.9,-30.04,;.44,-30.82,;.43,-32.36,;-.91,-33.13,;-.92,-34.67,;-2.25,-35.43,;.41,-35.44,;.41,-36.98,;1.73,-37.75,;3.07,-36.99,;4.39,-37.77,;5.73,-37.02,;5.74,-35.48,;4.42,-34.69,;3.08,-35.45,;1.75,-34.67,;1.77,-30.06,;1.78,-28.52,;3.1,-30.83,;4.44,-30.07,;3.66,-28.74,;5.2,-28.73,;5.77,-30.85,;5.76,-32.39,;7.09,-33.17,;8.44,-32.39,;9.79,-33.15,;11.12,-32.37,;11.1,-30.81,;9.76,-30.06,;8.43,-30.84,;7.1,-30.07,)| Show InChI InChI=1S/C49H44N4O7S/c1-3-5-19-44-45(46(49(56)59-4-2)50-53(44)38-22-24-40(25-23-38)60-39-17-7-6-8-18-39)42-27-21-36(31-43(42)48(55)52-29-28-34-14-10-12-16-37(34)32-52)47(54)51-61(57,58)41-26-20-33-13-9-11-15-35(33)30-41/h6-18,20-27,30-31H,3-5,19,28-29,32H2,1-2H3,(H,51,54) | PDB
UniProtKB/SwissProt
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| n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research
Curated by ChEMBL
| Assay Description
Inhibition of GST-tagged Bcl2 using [FAM]-IWIAQELRRIGDEFNAYY-NH2 as substrate after 60 mins by fluorescence polarization assay |
Bioorg Med Chem Lett 22: 3951-6 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.106
BindingDB Entry DOI: 10.7270/Q2416Z2Z |
More data for this
Ligand-Target Pair | |
Apoptosis regulator Bcl-2
(Homo sapiens (Human)) | BDBM50384337
(CHEMBL2031006)Show SMILES CCCCN(CCCC)c1ncc(C)c(n1)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2ccccc2c1 Show InChI InChI=1S/C40H43N5O4S/c1-4-6-21-44(22-7-5-2)40-41-26-28(3)37(42-40)35-19-17-32(25-36(35)39(47)45-23-20-30-13-9-11-15-33(30)27-45)38(46)43-50(48,49)34-18-16-29-12-8-10-14-31(29)24-34/h8-19,24-26H,4-7,20-23,27H2,1-3H3,(H,43,46) | PDB
UniProtKB/SwissProt
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| n/a | n/a | 110 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research
Curated by ChEMBL
| Assay Description
Inhibition of GST-tagged Bcl2 using [FAM]-IWIAQELRRIGDEFNAYY-NH2 as substrate after 60 mins by fluorescence polarization assay |
Bioorg Med Chem Lett 22: 3951-6 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.106
BindingDB Entry DOI: 10.7270/Q2416Z2Z |
More data for this
Ligand-Target Pair | |
Apoptosis regulator Bcl-2
(Homo sapiens (Human)) | BDBM50384331
(CHEMBL2030866)Show SMILES CCCCN(CCCC)c1nccc(n1)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2cccc(Cl)c2c1 Show InChI InChI=1S/C39H40ClN5O4S/c1-3-5-21-44(22-6-4-2)39-41-20-18-36(42-39)32-17-15-29(24-34(32)38(47)45-23-19-27-10-7-8-11-30(27)26-45)37(46)43-50(48,49)31-16-14-28-12-9-13-35(40)33(28)25-31/h7-18,20,24-25H,3-6,19,21-23,26H2,1-2H3,(H,43,46) | PDB
UniProtKB/SwissProt
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| n/a | n/a | 120 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research
Curated by ChEMBL
| Assay Description
Inhibition of GST-tagged Bcl2 using [FAM]-IWIAQELRRIGDEFNAYY-NH2 as substrate after 60 mins by fluorescence polarization assay |
Bioorg Med Chem Lett 22: 3951-6 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.106
BindingDB Entry DOI: 10.7270/Q2416Z2Z |
More data for this
Ligand-Target Pair | |
Apoptosis regulator Bcl-2
(Homo sapiens (Human)) | BDBM50384333
(CHEMBL2031002)Show SMILES CCCCN(CCCC)c1nccc(n1)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2N(Cc3ccc(Cl)c(Cl)c3)CCc2c1 Show InChI InChI=1S/C44H46Cl2N6O4S/c1-3-5-21-50(22-6-4-2)44-47-20-17-40(48-44)36-14-12-33(27-37(36)43(54)52-24-18-31-9-7-8-10-34(31)29-52)42(53)49-57(55,56)35-13-16-41-32(26-35)19-23-51(41)28-30-11-15-38(45)39(46)25-30/h7-17,20,25-27H,3-6,18-19,21-24,28-29H2,1-2H3,(H,49,53) | PDB
UniProtKB/SwissProt
antibodypedia
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| CHEMBL
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| n/a | n/a | 120 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research
Curated by ChEMBL
| Assay Description
Inhibition of GST-tagged Bcl2 using [FAM]-IWIAQELRRIGDEFNAYY-NH2 as substrate after 60 mins by fluorescence polarization assay |
Bioorg Med Chem Lett 22: 3951-6 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.106
BindingDB Entry DOI: 10.7270/Q2416Z2Z |
More data for this
Ligand-Target Pair | |
Bcl-2-like protein 1
(Homo sapiens (Human)) | BDBM50384328
(CHEMBL2030863)Show SMILES CCCCCS(=O)(=O)NC(=O)c1ccc(-c2c(CO)nn(c2CCCC)-c2ccc(Oc3cccc(Cl)c3)cc2)c(c1)C(=O)N1CCc2ccccc2C1 |(32.41,-13.03,;32.45,-11.49,;31.13,-10.69,;31.17,-9.15,;29.85,-8.35,;29.89,-6.8,;30.69,-5.48,;31.43,-6.83,;28.58,-6,;28.63,-4.46,;29.98,-3.73,;27.32,-3.65,;27.36,-2.11,;26.04,-1.3,;24.69,-2.04,;23.37,-1.23,;23.25,.3,;24.42,1.3,;24.14,2.82,;21.75,.66,;20.95,-.65,;21.95,-1.82,;20.57,-2.53,;20.49,-4.06,;19.11,-4.76,;17.82,-3.92,;19.41,-.67,;18.63,.66,;17.09,.65,;16.33,-.69,;14.79,-.7,;14.01,.62,;12.47,.6,;11.7,1.92,;12.44,3.27,;13.98,3.28,;14.74,4.63,;14.76,1.96,;17.12,-2.02,;18.66,-2,;24.65,-3.57,;25.96,-4.38,;23.29,-4.31,;21.98,-3.5,;23.25,-5.84,;21.9,-6.58,;21.85,-8.11,;23.16,-8.92,;23.11,-10.45,;24.41,-11.27,;25.77,-10.54,;25.82,-9,;24.52,-8.19,;24.57,-6.65,)| Show InChI InChI=1S/C42H45ClN4O6S/c1-3-5-9-24-54(51,52)45-41(49)30-16-21-36(37(25-30)42(50)46-23-22-29-11-7-8-12-31(29)27-46)40-38(28-48)44-47(39(40)15-6-4-2)33-17-19-34(20-18-33)53-35-14-10-13-32(43)26-35/h7-8,10-14,16-21,25-26,48H,3-6,9,15,22-24,27-28H2,1-2H3,(H,45,49) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
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PubMed
| n/a | n/a | 120 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research
Curated by ChEMBL
| Assay Description
Inhibition of biotin-labelled Bcl-xL using [FAM]-IWIAQELRRIGDEFNAYY-NH2 as substrate after 60 mins by FRET analysis |
Bioorg Med Chem Lett 22: 3951-6 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.106
BindingDB Entry DOI: 10.7270/Q2416Z2Z |
More data for this
Ligand-Target Pair | |
Bcl-2-like protein 1
(Homo sapiens (Human)) | BDBM50384337
(CHEMBL2031006)Show SMILES CCCCN(CCCC)c1ncc(C)c(n1)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2ccccc2c1 Show InChI InChI=1S/C40H43N5O4S/c1-4-6-21-44(22-7-5-2)40-41-26-28(3)37(42-40)35-19-17-32(25-36(35)39(47)45-23-20-30-13-9-11-15-33(30)27-45)38(46)43-50(48,49)34-18-16-29-12-8-10-14-31(29)24-34/h8-19,24-26H,4-7,20-23,27H2,1-3H3,(H,43,46) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 120 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research
Curated by ChEMBL
| Assay Description
Inhibition of biotin-labelled Bcl-xL using [FAM]-IWIAQELRRIGDEFNAYY-NH2 as substrate after 60 mins by FRET analysis |
Bioorg Med Chem Lett 22: 3951-6 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.106
BindingDB Entry DOI: 10.7270/Q2416Z2Z |
More data for this
Ligand-Target Pair | |
Bcl-2-like protein 1
(Homo sapiens (Human)) | BDBM50384335
(CHEMBL2031004)Show SMILES CCCCN(CCCC)c1nccc(n1)-c1ccc(cc1C(=O)N1Cc2ccccc2C[C@H]1CO)C(=O)NS(=O)(=O)c1ccc2cccc(Cl)c2c1 |r| Show InChI InChI=1S/C40H42ClN5O5S/c1-3-5-20-45(21-6-4-2)40-42-19-18-37(43-40)33-17-15-29(23-35(33)39(49)46-25-30-11-8-7-10-28(30)22-31(46)26-47)38(48)44-52(50,51)32-16-14-27-12-9-13-36(41)34(27)24-32/h7-19,23-24,31,47H,3-6,20-22,25-26H2,1-2H3,(H,44,48)/t31-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 130 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research
Curated by ChEMBL
| Assay Description
Inhibition of biotin-labelled Bcl-xL using [FAM]-IWIAQELRRIGDEFNAYY-NH2 as substrate after 60 mins by FRET analysis |
Bioorg Med Chem Lett 22: 3951-6 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.106
BindingDB Entry DOI: 10.7270/Q2416Z2Z |
More data for this
Ligand-Target Pair | |
Apoptosis regulator Bcl-2
(Homo sapiens (Human)) | BDBM50384316
(CHEMBL2030851 | US9346795, 241)Show SMILES CCCCc1c(c(CO)nn1-c1ccc(Oc2ccccc2)cc1)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2ccccc2c1 |(23.83,-40.71,;22.52,-39.91,;22.56,-38.37,;21.25,-37.56,;21.29,-36.01,;21.46,-34.48,;20.05,-33.85,;19.73,-32.35,;18.27,-31.87,;19.02,-35,;19.79,-36.33,;19.06,-37.69,;17.52,-37.73,;16.8,-39.09,;17.61,-40.4,;16.89,-41.75,;17.7,-43.06,;16.97,-44.42,;17.78,-45.72,;19.32,-45.67,;20.05,-44.3,;19.23,-43,;19.16,-40.34,;19.88,-38.99,;22.79,-33.71,;22.79,-32.17,;24.14,-31.4,;25.47,-32.18,;25.46,-33.72,;24.12,-34.48,;24.12,-36.02,;22.78,-36.79,;25.45,-36.8,;25.44,-38.33,;26.76,-39.11,;28.1,-38.35,;29.42,-39.13,;30.76,-38.38,;30.78,-36.84,;29.45,-36.05,;28.12,-36.81,;26.78,-36.03,;26.81,-31.41,;26.81,-29.87,;28.14,-32.19,;29.47,-31.42,;28.69,-30.09,;30.23,-30.08,;30.8,-32.2,;30.79,-33.74,;32.12,-34.52,;33.47,-33.75,;34.82,-34.51,;36.15,-33.72,;36.13,-32.17,;34.79,-31.42,;33.46,-32.2,;32.14,-31.43,)| Show InChI InChI=1S/C47H42N4O6S/c1-2-3-17-44-45(43(31-52)48-51(44)37-20-22-39(23-21-37)57-38-15-5-4-6-16-38)41-25-19-35(29-42(41)47(54)50-27-26-33-12-8-10-14-36(33)30-50)46(53)49-58(55,56)40-24-18-32-11-7-9-13-34(32)28-40/h4-16,18-25,28-29,52H,2-3,17,26-27,30-31H2,1H3,(H,49,53) | PDB
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| n/a | n/a | 130 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research
Curated by ChEMBL
| Assay Description
Inhibition of GST-tagged Bcl2 using [FAM]-IWIAQELRRIGDEFNAYY-NH2 as substrate after 60 mins by fluorescence polarization assay |
Bioorg Med Chem Lett 22: 3951-6 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.106
BindingDB Entry DOI: 10.7270/Q2416Z2Z |
More data for this
Ligand-Target Pair | |
Bcl-2-like protein 1
(Homo sapiens (Human)) | BDBM50384327
(CHEMBL2030862)Show SMILES CCCCc1c(c(CO)nn1-c1ccc(Oc2cccc(Cl)c2)cc1)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)CC |(-5.26,-3.34,;-3.97,-4.18,;-2.6,-3.48,;-2.52,-1.94,;-1.14,-1.24,;.29,-.65,;.16,.88,;1.33,1.89,;1.05,3.4,;-1.33,1.24,;-2.14,-.07,;-3.67,-.08,;-4.45,1.25,;-5.99,1.23,;-6.75,-.11,;-8.29,-.12,;-9.07,1.21,;-10.61,1.18,;-11.4,2.5,;-10.64,3.85,;-9.1,3.87,;-8.34,5.21,;-8.32,2.54,;-5.96,-1.44,;-4.43,-1.42,;1.6,-1.45,;2.95,-.72,;4.28,-1.53,;4.23,-3.07,;2.88,-3.8,;1.56,-2.99,;.21,-3.72,;-1.1,-2.91,;.16,-5.26,;-1.19,-5.99,;-1.23,-7.53,;.07,-8.34,;.02,-9.87,;1.32,-10.68,;2.68,-9.96,;2.74,-8.42,;1.43,-7.61,;1.48,-6.07,;5.54,-3.88,;6.9,-3.15,;5.5,-5.42,;6.81,-6.22,;7.6,-4.9,;8.35,-6.24,;6.77,-7.76,;8.08,-8.56,)| Show InChI InChI=1S/C39H39ClN4O6S/c1-3-5-13-36-37(35(25-45)41-44(36)30-15-17-31(18-16-30)50-32-12-8-11-29(40)23-32)33-19-14-27(38(46)42-51(48,49)4-2)22-34(33)39(47)43-21-20-26-9-6-7-10-28(26)24-43/h6-12,14-19,22-23,45H,3-5,13,20-21,24-25H2,1-2H3,(H,42,46) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
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| CHEMBL
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PC sid
UniChem
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PubMed
| n/a | n/a | 140 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research
Curated by ChEMBL
| Assay Description
Inhibition of biotin-labelled Bcl-xL using [FAM]-IWIAQELRRIGDEFNAYY-NH2 as substrate after 60 mins by FRET analysis |
Bioorg Med Chem Lett 22: 3951-6 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.106
BindingDB Entry DOI: 10.7270/Q2416Z2Z |
More data for this
Ligand-Target Pair | |
Apoptosis regulator Bcl-2
(Homo sapiens (Human)) | BDBM50384314
(CHEMBL2030849)Show SMILES CCCCc1c(c(nn1-c1cccc(Oc2ccccc2)c1)C(=O)OCC)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2ccccc2c1 |(49.78,-23.14,;48.47,-22.33,;48.52,-20.79,;47.21,-19.98,;47.25,-18.43,;47.42,-16.9,;46.01,-16.27,;44.98,-17.42,;45.75,-18.75,;45.02,-20.11,;43.48,-20.15,;42.75,-21.51,;43.57,-22.82,;45.11,-22.76,;45.93,-24.06,;45.21,-25.42,;43.67,-25.47,;42.95,-26.83,;43.77,-28.14,;45.32,-28.08,;46.03,-26.72,;45.83,-21.41,;45.69,-14.77,;46.83,-13.74,;44.23,-14.29,;43.91,-12.78,;42.44,-12.31,;48.75,-16.13,;48.75,-14.59,;50.09,-13.82,;51.43,-14.6,;51.42,-16.14,;50.08,-16.9,;50.07,-18.44,;48.74,-19.21,;51.4,-19.22,;51.4,-20.75,;52.72,-21.53,;54.06,-20.77,;55.38,-21.55,;56.72,-20.8,;56.74,-19.26,;55.41,-18.47,;54.07,-19.23,;52.74,-18.45,;52.77,-13.83,;52.77,-12.29,;54.1,-14.61,;55.43,-13.84,;54.65,-12.51,;56.19,-12.5,;56.76,-14.62,;56.75,-16.16,;58.08,-16.94,;59.43,-16.17,;60.78,-16.93,;62.11,-16.14,;62.09,-14.59,;60.75,-13.84,;59.42,-14.62,;58.1,-13.85,)| Show InChI InChI=1S/C49H44N4O7S/c1-3-5-22-44-45(46(49(56)59-4-2)50-53(44)38-18-13-21-40(31-38)60-39-19-7-6-8-20-39)42-26-24-36(30-43(42)48(55)52-28-27-34-15-10-12-17-37(34)32-52)47(54)51-61(57,58)41-25-23-33-14-9-11-16-35(33)29-41/h6-21,23-26,29-31H,3-5,22,27-28,32H2,1-2H3,(H,51,54) | PDB
UniProtKB/SwissProt
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| n/a | n/a | 140 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research
Curated by ChEMBL
| Assay Description
Inhibition of GST-tagged Bcl2 using [FAM]-IWIAQELRRIGDEFNAYY-NH2 as substrate after 60 mins by fluorescence polarization assay |
Bioorg Med Chem Lett 22: 3951-6 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.106
BindingDB Entry DOI: 10.7270/Q2416Z2Z |
More data for this
Ligand-Target Pair | |
Apoptosis regulator Bcl-2
(Homo sapiens (Human)) | BDBM50384332
(CHEMBL2031001)Show SMILES CCCCN(CCCC)c1nccc(n1)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2ccc(I)cc2c1 Show InChI InChI=1S/C39H40IN5O4S/c1-3-5-20-44(21-6-4-2)39-41-19-17-36(42-39)34-16-13-29(25-35(34)38(47)45-22-18-27-9-7-8-10-30(27)26-45)37(46)43-50(48,49)33-15-12-28-11-14-32(40)23-31(28)24-33/h7-17,19,23-25H,3-6,18,20-22,26H2,1-2H3,(H,43,46) | PDB
UniProtKB/SwissProt
antibodypedia
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| CHEMBL
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UniChem
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PubMed
| n/a | n/a | 140 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research
Curated by ChEMBL
| Assay Description
Inhibition of GST-tagged Bcl2 using [FAM]-IWIAQELRRIGDEFNAYY-NH2 as substrate after 60 mins by fluorescence polarization assay |
Bioorg Med Chem Lett 22: 3951-6 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.106
BindingDB Entry DOI: 10.7270/Q2416Z2Z |
More data for this
Ligand-Target Pair | |
Apoptosis regulator Bcl-2
(Homo sapiens (Human)) | BDBM50384338
(CHEMBL2031007)Show SMILES CCCN(CCC)c1nccc(n1)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2ccccc2c1 Show InChI InChI=1S/C37H37N5O4S/c1-3-20-41(21-4-2)37-38-19-17-34(39-37)32-16-14-29(24-33(32)36(44)42-22-18-27-10-6-8-12-30(27)25-42)35(43)40-47(45,46)31-15-13-26-9-5-7-11-28(26)23-31/h5-17,19,23-24H,3-4,18,20-22,25H2,1-2H3,(H,40,43) | PDB
UniProtKB/SwissProt
antibodypedia
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AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 150 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research
Curated by ChEMBL
| Assay Description
Inhibition of GST-tagged Bcl2 using [FAM]-IWIAQELRRIGDEFNAYY-NH2 as substrate after 60 mins by fluorescence polarization assay |
Bioorg Med Chem Lett 22: 3951-6 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.106
BindingDB Entry DOI: 10.7270/Q2416Z2Z |
More data for this
Ligand-Target Pair | |
Bcl-2-like protein 1
(Homo sapiens (Human)) | BDBM50384334
(CHEMBL2031003)Show SMILES CCCCN(CCCC)c1nccc(n1)-c1ccc(cc1C(=O)N1Cc2ccccc2C[C@H]1CN)C(=O)NS(=O)(=O)c1ccc2ccccc2c1 |r| Show InChI InChI=1S/C40H44N6O4S/c1-3-5-21-45(22-6-4-2)40-42-20-19-37(43-40)35-18-16-31(38(47)44-51(49,50)34-17-15-28-11-7-8-13-30(28)24-34)25-36(35)39(48)46-27-32-14-10-9-12-29(32)23-33(46)26-41/h7-20,24-25,33H,3-6,21-23,26-27,41H2,1-2H3,(H,44,47)/t33-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 160 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research
Curated by ChEMBL
| Assay Description
Inhibition of biotin-labelled Bcl-xL using [FAM]-IWIAQELRRIGDEFNAYY-NH2 as substrate after 60 mins by FRET analysis |
Bioorg Med Chem Lett 22: 3951-6 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.106
BindingDB Entry DOI: 10.7270/Q2416Z2Z |
More data for this
Ligand-Target Pair | |
Apoptosis regulator Bcl-2
(Homo sapiens (Human)) | BDBM50384336
(CHEMBL2031005)Show SMILES CCCCN(CCCC)c1ncc(Cl)c(n1)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2ccccc2c1 Show InChI InChI=1S/C39H40ClN5O4S/c1-3-5-20-44(21-6-4-2)39-41-25-35(40)36(42-39)33-18-16-30(24-34(33)38(47)45-22-19-28-12-8-10-14-31(28)26-45)37(46)43-50(48,49)32-17-15-27-11-7-9-13-29(27)23-32/h7-18,23-25H,3-6,19-22,26H2,1-2H3,(H,43,46) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
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PubMed
| n/a | n/a | 160 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research
Curated by ChEMBL
| Assay Description
Inhibition of GST-tagged Bcl2 using [FAM]-IWIAQELRRIGDEFNAYY-NH2 as substrate after 60 mins by fluorescence polarization assay |
Bioorg Med Chem Lett 22: 3951-6 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.106
BindingDB Entry DOI: 10.7270/Q2416Z2Z |
More data for this
Ligand-Target Pair | |
Apoptosis regulator Bcl-2
(Homo sapiens (Human)) | BDBM50384335
(CHEMBL2031004)Show SMILES CCCCN(CCCC)c1nccc(n1)-c1ccc(cc1C(=O)N1Cc2ccccc2C[C@H]1CO)C(=O)NS(=O)(=O)c1ccc2cccc(Cl)c2c1 |r| Show InChI InChI=1S/C40H42ClN5O5S/c1-3-5-20-45(21-6-4-2)40-42-19-18-37(43-40)33-17-15-29(23-35(33)39(49)46-25-30-11-8-7-10-28(30)22-31(46)26-47)38(48)44-52(50,51)32-16-14-27-12-9-13-36(41)34(27)24-32/h7-19,23-24,31,47H,3-6,20-22,25-26H2,1-2H3,(H,44,48)/t31-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
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AffyNet
| CHEMBL
PC cid
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PubMed
| n/a | n/a | 160 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research
Curated by ChEMBL
| Assay Description
Inhibition of GST-tagged Bcl2 using [FAM]-IWIAQELRRIGDEFNAYY-NH2 as substrate after 60 mins by fluorescence polarization assay |
Bioorg Med Chem Lett 22: 3951-6 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.106
BindingDB Entry DOI: 10.7270/Q2416Z2Z |
More data for this
Ligand-Target Pair | |
Apoptosis regulator Bcl-2
(Homo sapiens (Human)) | BDBM50384311
(CHEMBL2030846)Show SMILES CCCCc1c(c(nn1-c1ccccc1)C(O)=O)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)c1ccc2ccccc2c1 |(47.07,-6.48,;45.76,-5.67,;45.8,-4.14,;44.49,-3.33,;44.54,-1.78,;44.7,-.25,;43.29,.38,;42.26,-.76,;43.03,-2.1,;42.31,-3.45,;40.77,-3.5,;40.04,-4.86,;40.85,-6.17,;42.4,-6.11,;43.12,-4.76,;42.98,1.89,;41.51,2.36,;44.12,2.92,;46.04,.52,;46.04,2.06,;47.38,2.83,;48.71,2.06,;48.71,.51,;47.36,-.25,;47.36,-1.79,;46.02,-2.55,;48.69,-2.57,;48.69,-4.1,;50.01,-4.88,;51.34,-4.12,;52.66,-4.9,;54.01,-4.14,;54.02,-2.6,;52.69,-1.82,;51.36,-2.58,;50.03,-1.79,;50.05,2.82,;50.06,4.36,;51.38,2.04,;52.71,2.81,;51.93,4.14,;53.47,4.15,;54.05,2.03,;54.04,.49,;55.37,-.29,;56.72,.49,;58.06,-.27,;59.4,.51,;59.38,2.06,;58.03,2.82,;56.71,2.03,;55.38,2.8,)| Show InChI InChI=1S/C41H36N4O6S/c1-2-3-17-36-37(38(41(48)49)42-45(36)32-15-5-4-6-16-32)34-21-19-30(25-35(34)40(47)44-23-22-28-12-8-10-14-31(28)26-44)39(46)43-52(50,51)33-20-18-27-11-7-9-13-29(27)24-33/h4-16,18-21,24-25H,2-3,17,22-23,26H2,1H3,(H,43,46)(H,48,49) | PDB
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| n/a | n/a | 170 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research
Curated by ChEMBL
| Assay Description
Inhibition of GST-tagged Bcl2 using [FAM]-IWIAQELRRIGDEFNAYY-NH2 as substrate after 60 mins by fluorescence polarization assay |
Bioorg Med Chem Lett 22: 3951-6 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.106
BindingDB Entry DOI: 10.7270/Q2416Z2Z |
More data for this
Ligand-Target Pair | |
Apoptosis regulator Bcl-2
(Homo sapiens (Human)) | BDBM50384326
(CHEMBL2030861)Show SMILES CCCCc1c(c(CO)nn1-c1ccccc1)-c1ccc(cc1C(=O)N1CCc2ccccc2C1)C(=O)NS(=O)(=O)CC[Si](C)(C)C |(33.41,-39.78,;34.7,-40.62,;36.07,-39.92,;36.15,-38.39,;37.53,-37.68,;38.96,-37.09,;38.83,-35.56,;40,-34.56,;39.72,-33.04,;37.33,-35.2,;36.53,-36.51,;35,-36.53,;34.22,-35.2,;32.68,-35.21,;31.92,-36.55,;32.71,-37.88,;34.24,-37.86,;40.27,-37.9,;41.62,-37.16,;42.94,-37.97,;42.9,-39.51,;41.54,-40.24,;40.23,-39.43,;38.87,-40.17,;37.56,-39.36,;38.83,-41.71,;37.48,-42.44,;37.43,-43.97,;38.74,-44.78,;38.69,-46.31,;39.99,-47.13,;41.35,-46.4,;41.41,-44.86,;40.1,-44.05,;40.15,-42.51,;44.21,-40.32,;45.57,-39.59,;44.17,-41.86,;45.48,-42.66,;46.27,-41.34,;47.02,-42.69,;45.43,-44.21,;46.75,-45.01,;46.72,-46.55,;48.03,-47.35,;45.37,-47.29,;46.7,-48.08,)| Show InChI InChI=1S/C36H44N4O5SSi/c1-5-6-16-33-34(32(25-41)37-40(33)29-14-8-7-9-15-29)30-18-17-27(35(42)38-46(44,45)21-22-47(2,3)4)23-31(30)36(43)39-20-19-26-12-10-11-13-28(26)24-39/h7-15,17-18,23,41H,5-6,16,19-22,24-25H2,1-4H3,(H,38,42) | PDB
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MMDB
PC cid
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PDB
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Similars
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PubMed
| n/a | n/a | 190 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research
Curated by ChEMBL
| Assay Description
Inhibition of GST-tagged Bcl2 using [FAM]-IWIAQELRRIGDEFNAYY-NH2 as substrate after 60 mins by fluorescence polarization assay |
Bioorg Med Chem Lett 22: 3951-6 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.106
BindingDB Entry DOI: 10.7270/Q2416Z2Z |
More data for this
Ligand-Target Pair | |
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