BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 170 hits of ec50 data for polymerid = 3928   
Target
(Institution)
LigandTarget
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Apoptosis regulator Bcl-2


(Homo sapiens (human))
BDBM21447
PNG
(4-(4-{[2-(4-chlorophenyl)phenyl]methyl}piperazin-1...)
Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C42H45ClN6O5S2/c1-46(2)23-22-35(30-55-37-9-4-3-5-10-37)44-40-21-20-38(28-41(40)49(51)52)56(53,54)45-42(50)32-14-18-36(19-15-32)48-26-24-47(25-27-48)29-33-8-6-7-11-39(33)31-12-16-34(43)17-13-31/h3-21,28,35,44H,22-27,29-30H2,1-2H3,(H,45,50)/t35-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

AffyNet 
Article
PubMed
<1<-51.4n/an/a 8n/an/a7.425



Abbott Laboratories



Assay Description
The binding affinities (Ki) of compounds were determined using fluorescence polarization assays (FPA) that measure their ability to competitively dis...


Citation and Details
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (human))
BDBM21450
PNG
(N-Benylpiperazine derivative, 23r | N-[(4-{[(2R)-4...)
Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(Cc2ccccc2-c2ccc(cc2)C(F)(F)F)CC1
Show InChI InChI=1S/C43H45F3N6O5S2/c1-49(2)23-22-35(30-58-37-9-4-3-5-10-37)47-40-21-20-38(28-41(40)52(54)55)59(56,57)48-42(53)32-14-18-36(19-15-32)51-26-24-50(25-27-51)29-33-8-6-7-11-39(33)31-12-16-34(17-13-31)43(44,45)46/h3-21,28,35,47H,22-27,29-30H2,1-2H3,(H,48,53)/t35-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

AffyNet 
Article
PubMed
<1<-51.4n/an/a 13n/an/a7.425



Abbott Laboratories



Assay Description
The binding affinities (Ki) of compounds were determined using fluorescence polarization assays (FPA) that measure their ability to competitively dis...


Citation and Details
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (human))
BDBM21441
PNG
(N-Benylpiperazine derivative, 23i | N-[(4-{[(2R)-4...)
Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(Cc2ccccc2-c2ccccc2)CC1
Show InChI InChI=1S/C42H46N6O5S2/c1-45(2)24-23-35(31-54-37-14-7-4-8-15-37)43-40-22-21-38(29-41(40)48(50)51)55(52,53)44-42(49)33-17-19-36(20-18-33)47-27-25-46(26-28-47)30-34-13-9-10-16-39(34)32-11-5-3-6-12-32/h3-22,29,35,43H,23-28,30-31H2,1-2H3,(H,44,49)/t35-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

AffyNet 
Article
PubMed
<1<-51.4n/an/a 16n/an/a7.425



Abbott Laboratories



Assay Description
The binding affinities (Ki) of compounds were determined using fluorescence polarization assays (FPA) that measure their ability to competitively dis...


Citation and Details
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (human))
BDBM21421
PNG
(4-Alkyl-4-methoxypiperidine derivative, 8m | N-[(4...)
Show SMILES COC1(Cc2ccccc2-c2ccccc2)CCN(CC1)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(N[C@H](CCN(C)C)CSc2ccccc2)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C44H49N5O6S2/c1-47(2)27-24-36(32-56-38-15-8-5-9-16-38)45-41-23-22-39(30-42(41)49(51)52)57(53,54)46-43(50)34-18-20-37(21-19-34)48-28-25-44(55-3,26-29-48)31-35-14-10-11-17-40(35)33-12-6-4-7-13-33/h4-23,30,36,45H,24-29,31-32H2,1-3H3,(H,46,50)/t36-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

AffyNet 
Article
PubMed
<1<-51.4n/an/a 20n/an/a7.425



Abbott Laboratories



Assay Description
The binding affinities (Ki) of compounds were determined using fluorescence polarization assays (FPA) that measure their ability to competitively dis...


Citation and Details
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (human))
BDBM21444
PNG
(N-Benylpiperazine derivative, 23m | N-[(4-{[(2R)-4...)
Show SMILES COc1ccc(cc1)-c1ccccc1CN1CCN(CC1)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(N[C@H](CCN(C)C)CSc2ccccc2)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C43H48N6O6S2/c1-46(2)24-23-35(31-56-38-10-5-4-6-11-38)44-41-22-21-39(29-42(41)49(51)52)57(53,54)45-43(50)33-13-17-36(18-14-33)48-27-25-47(26-28-48)30-34-9-7-8-12-40(34)32-15-19-37(55-3)20-16-32/h4-22,29,35,44H,23-28,30-31H2,1-3H3,(H,45,50)/t35-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

AffyNet 
Article
PubMed
<1<-51.4n/an/a 25n/an/a7.425



Abbott Laboratories



Assay Description
The binding affinities (Ki) of compounds were determined using fluorescence polarization assays (FPA) that measure their ability to competitively dis...


Citation and Details
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (human))
BDBM21449
PNG
(N-Benylpiperazine derivative, 23q | N-[(4-{[(2R)-4...)
Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(Cc2ccccc2-c2ccc(F)cc2)CC1
Show InChI InChI=1S/C42H45FN6O5S2/c1-46(2)23-22-35(30-55-37-9-4-3-5-10-37)44-40-21-20-38(28-41(40)49(51)52)56(53,54)45-42(50)32-14-18-36(19-15-32)48-26-24-47(25-27-48)29-33-8-6-7-11-39(33)31-12-16-34(43)17-13-31/h3-21,28,35,44H,22-27,29-30H2,1-2H3,(H,45,50)/t35-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

AffyNet 
Article
PubMed
<1<-51.4n/an/a 27n/an/a7.425



Abbott Laboratories



Assay Description
The binding affinities (Ki) of compounds were determined using fluorescence polarization assays (FPA) that measure their ability to competitively dis...


Citation and Details
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (human))
BDBM21445
PNG
(4-(4-{[2-(2-chlorophenyl)phenyl]methyl}piperazin-1...)
Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(Cc2ccccc2-c2ccccc2Cl)CC1
Show InChI InChI=1S/C42H45ClN6O5S2/c1-46(2)23-22-33(30-55-35-11-4-3-5-12-35)44-40-21-20-36(28-41(40)49(51)52)56(53,54)45-42(50)31-16-18-34(19-17-31)48-26-24-47(25-27-48)29-32-10-6-7-13-37(32)38-14-8-9-15-39(38)43/h3-21,28,33,44H,22-27,29-30H2,1-2H3,(H,45,50)/t33-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

AffyNet 
Article
PubMed
<1<-51.4n/an/a 27n/an/a7.425



Abbott Laboratories



Assay Description
The binding affinities (Ki) of compounds were determined using fluorescence polarization assays (FPA) that measure their ability to competitively dis...


Citation and Details
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (human))
BDBM21446
PNG
(4-(4-{[2-(3-chlorophenyl)phenyl]methyl}piperazin-1...)
Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(Cc2ccccc2-c2cccc(Cl)c2)CC1
Show InChI InChI=1S/C42H45ClN6O5S2/c1-46(2)22-21-35(30-55-37-12-4-3-5-13-37)44-40-20-19-38(28-41(40)49(51)52)56(53,54)45-42(50)31-15-17-36(18-16-31)48-25-23-47(24-26-48)29-33-9-6-7-14-39(33)32-10-8-11-34(43)27-32/h3-20,27-28,35,44H,21-26,29-30H2,1-2H3,(H,45,50)/t35-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

AffyNet 
Article
PubMed
16.9 -44.4n/an/a 33n/an/a7.425



Abbott Laboratories



Assay Description
The binding affinities (Ki) of compounds were determined using fluorescence polarization assays (FPA) that measure their ability to competitively dis...


Citation and Details
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (human))
BDBM21448
PNG
(N-Benylpiperazine derivative, 23p | N-[(4-{[(2R)-4...)
Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(Cc2ccccc2-c2ccc(cc2)-c2ccccc2)CC1
Show InChI InChI=1S/C48H50N6O5S2/c1-51(2)28-27-41(35-60-43-14-7-4-8-15-43)49-46-26-25-44(33-47(46)54(56)57)61(58,59)50-48(55)39-21-23-42(24-22-39)53-31-29-52(30-32-53)34-40-13-9-10-16-45(40)38-19-17-37(18-20-38)36-11-5-3-6-12-36/h3-26,33,41,49H,27-32,34-35H2,1-2H3,(H,50,55)/t41-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

AffyNet 
Article
PubMed
<1<-51.4n/an/a 68n/an/a7.425



Abbott Laboratories



Assay Description
The binding affinities (Ki) of compounds were determined using fluorescence polarization assays (FPA) that measure their ability to competitively dis...


Citation and Details
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (human))
BDBM21417
PNG
(4-Alkyl-4-methoxypiperidine derivative, 8i | N-[(4...)
Show SMILES COC1(Cc2ccccc2F)CCN(CC1)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(N[C@H](CCN(C)C)CSc2ccccc2)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C38H44FN5O6S2/c1-42(2)22-19-30(27-51-32-10-5-4-6-11-32)40-35-18-17-33(25-36(35)44(46)47)52(48,49)41-37(45)28-13-15-31(16-14-28)43-23-20-38(50-3,21-24-43)26-29-9-7-8-12-34(29)39/h4-18,25,30,40H,19-24,26-27H2,1-3H3,(H,41,45)/t30-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

AffyNet 
Article
PubMed
3.10 -48.6n/an/a 100n/an/a7.425



Abbott Laboratories



Assay Description
The binding affinities (Ki) of compounds were determined using fluorescence polarization assays (FPA) that measure their ability to competitively dis...


Citation and Details
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (human))
BDBM21440
PNG
(4-{4-[(2-cyclohexylphenyl)methyl]piperazin-1-yl}-N...)
Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(Cc2ccccc2C2CCCCC2)CC1
Show InChI InChI=1S/C42H52N6O5S2/c1-45(2)24-23-35(31-54-37-14-7-4-8-15-37)43-40-22-21-38(29-41(40)48(50)51)55(52,53)44-42(49)33-17-19-36(20-18-33)47-27-25-46(26-28-47)30-34-13-9-10-16-39(34)32-11-5-3-6-12-32/h4,7-10,13-22,29,32,35,43H,3,5-6,11-12,23-28,30-31H2,1-2H3,(H,44,49)/t35-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

AffyNet 
Article
PubMed
<1<-51.4n/an/a 120n/an/a7.425



Abbott Laboratories



Assay Description
The binding affinities (Ki) of compounds were determined using fluorescence polarization assays (FPA) that measure their ability to competitively dis...


Citation and Details
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (human))
BDBM21434
PNG
(N-Benylpiperazine derivative, 23j | N-[(4-{[(2R)-4...)
Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(Cc2ccccc2C(F)(F)F)CC1
Show InChI InChI=1S/C37H41F3N6O5S2/c1-43(2)19-18-29(26-52-31-9-4-3-5-10-31)41-34-17-16-32(24-35(34)46(48)49)53(50,51)42-36(47)27-12-14-30(15-13-27)45-22-20-44(21-23-45)25-28-8-6-7-11-33(28)37(38,39)40/h3-17,24,29,41H,18-23,25-26H2,1-2H3,(H,42,47)/t29-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

AffyNet 
Article
PubMed
<1<-51.4n/an/a 130n/an/a7.425



Abbott Laboratories



Assay Description
The binding affinities (Ki) of compounds were determined using fluorescence polarization assays (FPA) that measure their ability to competitively dis...


Citation and Details
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (human))
BDBM21436
PNG
(N-Benylpiperazine derivative, 23d | N-[(4-{[(2R)-4...)
Show SMILES CSc1ccccc1CN1CCN(CC1)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(N[C@H](CCN(C)C)CSc2ccccc2)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C37H44N6O5S3/c1-40(2)20-19-30(27-50-32-10-5-4-6-11-32)38-34-18-17-33(25-35(34)43(45)46)51(47,48)39-37(44)28-13-15-31(16-14-28)42-23-21-41(22-24-42)26-29-9-7-8-12-36(29)49-3/h4-18,25,30,38H,19-24,26-27H2,1-3H3,(H,39,44)/t30-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

AffyNet 
Article
PubMed
<1<-51.4n/an/a 130n/an/a7.425



Abbott Laboratories



Assay Description
The binding affinities (Ki) of compounds were determined using fluorescence polarization assays (FPA) that measure their ability to competitively dis...


Citation and Details
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (human))
BDBM32274
PNG
(2,5-bis(chloranyl)-3-(4-methylpiperazin-1-yl)-6-(2...)
Show SMILES CN1CCN(CC1)C1=C(Cl)C(=O)C(c2cnc(s2)N2CCCCC2)=C(Cl)C1=O
Show InChI InChI=1S/C19H22Cl2N4O2S/c1-23-7-9-24(10-8-23)16-15(21)17(26)13(14(20)18(16)27)12-11-22-19(28-12)25-5-3-2-4-6-25/h11H,2-10H2,1H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

AffyNet 
PCBioAssay
n/an/an/an/a 160n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH 1X01 MH079850-01 HTS to identify small molecule regulators of Bcl-2 family protein int...


PubChem Bioassay (2008)

More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (human))
BDBM21432
PNG
(4-Piperidinebenzylidene derivative, 10k | N-[(4-{[...)
Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCC(CC1)=Cc1ccccc1-c1ccccc1
Show InChI InChI=1S/C43H45N5O5S2/c1-46(2)26-25-36(31-54-38-14-7-4-8-15-38)44-41-22-21-39(30-42(41)48(50)51)55(52,53)45-43(49)34-17-19-37(20-18-34)47-27-23-32(24-28-47)29-35-13-9-10-16-40(35)33-11-5-3-6-12-33/h3-22,29-30,36,44H,23-28,31H2,1-2H3,(H,45,49)/t36-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

AffyNet 
Article
PubMed
<1<-51.4n/an/a 180n/an/a7.425



Abbott Laboratories



Assay Description
The binding affinities (Ki) of compounds were determined using fluorescence polarization assays (FPA) that measure their ability to competitively dis...


Citation and Details
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (human))
BDBM21414
PNG
(4-Alkyl-4-methoxypiperidine derivative, 8f | 4-{4-...)
Show SMILES COC1(Cc2ccccc2Cl)CCN(CC1)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(N[C@H](CCN(C)C)CSc2ccccc2)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C38H44ClN5O6S2/c1-42(2)22-19-30(27-51-32-10-5-4-6-11-32)40-35-18-17-33(25-36(35)44(46)47)52(48,49)41-37(45)28-13-15-31(16-14-28)43-23-20-38(50-3,21-24-43)26-29-9-7-8-12-34(29)39/h4-18,25,30,40H,19-24,26-27H2,1-3H3,(H,41,45)/t30-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

AffyNet 
Article
PubMed
<1<-51.4n/an/a 180n/an/a7.425



Abbott Laboratories



Assay Description
The binding affinities (Ki) of compounds were determined using fluorescence polarization assays (FPA) that measure their ability to competitively dis...


Citation and Details
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (human))
BDBM21418
PNG
(4-Alkyl-4-methoxypiperidine derivative, 8j | N-[(4...)
Show SMILES COC1(Cc2ccccc2C)CCN(CC1)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(N[C@H](CCN(C)C)CSc2ccccc2)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C39H47N5O6S2/c1-29-10-8-9-11-31(29)27-39(50-4)21-24-43(25-22-39)33-16-14-30(15-17-33)38(45)41-52(48,49)35-18-19-36(37(26-35)44(46)47)40-32(20-23-42(2)3)28-51-34-12-6-5-7-13-34/h5-19,26,32,40H,20-25,27-28H2,1-4H3,(H,41,45)/t32-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

AffyNet 
Article
PubMed
1.40 -50.5n/an/a 200n/an/a7.425



Abbott Laboratories



Assay Description
The binding affinities (Ki) of compounds were determined using fluorescence polarization assays (FPA) that measure their ability to competitively dis...


Citation and Details
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (human))
BDBM21420
PNG
(4-Alkyl-4-methoxypiperidine derivative, 8l | 4-{4-...)
Show SMILES COC1(Cc2ccccc2Br)CCN(CC1)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(N[C@H](CCN(C)C)CSc2ccccc2)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C38H44BrN5O6S2/c1-42(2)22-19-30(27-51-32-10-5-4-6-11-32)40-35-18-17-33(25-36(35)44(46)47)52(48,49)41-37(45)28-13-15-31(16-14-28)43-23-20-38(50-3,21-24-43)26-29-9-7-8-12-34(29)39/h4-18,25,30,40H,19-24,26-27H2,1-3H3,(H,41,45)/t30-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

AffyNet 
Article
PubMed
1.5 -50.4n/an/a 200n/an/a7.425



Abbott Laboratories



Assay Description
The binding affinities (Ki) of compounds were determined using fluorescence polarization assays (FPA) that measure their ability to competitively dis...


Citation and Details
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (human))
BDBM21413
PNG
(4-Alkyl-4-methoxypiperidine derivative, 8d | 4-[4-...)
Show SMILES COC1(CC2CCCCC2)CCN(CC1)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(N[C@H](CCN(C)C)CSc2ccccc2)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C38H51N5O6S2/c1-41(2)23-20-31(28-50-33-12-8-5-9-13-33)39-35-19-18-34(26-36(35)43(45)46)51(47,48)40-37(44)30-14-16-32(17-15-30)42-24-21-38(49-3,22-25-42)27-29-10-6-4-7-11-29/h5,8-9,12-19,26,29,31,39H,4,6-7,10-11,20-25,27-28H2,1-3H3,(H,40,44)/t31-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

AffyNet 
Article
PubMed
6.60 -46.7n/an/a 200n/an/a7.425



Abbott Laboratories



Assay Description
The binding affinities (Ki) of compounds were determined using fluorescence polarization assays (FPA) that measure their ability to competitively dis...


Citation and Details
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (human))
BDBM21426
PNG
(4-Piperidinebenzylidene derivative, 10e | N-[(4-{[...)
Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCC(CC1)=Cc1ccccc1C(F)(F)F
Show InChI InChI=1S/C38H40F3N5O5S2/c1-44(2)21-20-30(26-52-32-9-4-3-5-10-32)42-35-17-16-33(25-36(35)46(48)49)53(50,51)43-37(47)28-12-14-31(15-13-28)45-22-18-27(19-23-45)24-29-8-6-7-11-34(29)38(39,40)41/h3-17,24-25,30,42H,18-23,26H2,1-2H3,(H,43,47)/t30-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

AffyNet 
Article
PubMed
2 -49.7n/an/a 210n/an/a7.425



Abbott Laboratories



Assay Description
The binding affinities (Ki) of compounds were determined using fluorescence polarization assays (FPA) that measure their ability to competitively dis...


Citation and Details
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (human))
BDBM33066
PNG
(2,5-bis(chloranyl)-3-[2-(dimethylamino)-1,3-thiazo...)
Show SMILES CN(C)c1ncc(s1)C1=C(Cl)C(=O)C(N2CCCC2)=C(Cl)C1=O
Show InChI InChI=1S/C15H15Cl2N3O2S/c1-19(2)15-18-7-8(23-15)9-10(16)14(22)12(11(17)13(9)21)20-5-3-4-6-20/h7H,3-6H2,1-2H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

AffyNet 
PCBioAssay
n/an/an/an/a 210n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH 1X01 MH079850-01 HTS to identify small molecule regulators of Bcl-2 family protein int...


PubChem Bioassay (2008)

More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (human))
BDBM21419
PNG
(4-Alkyl-4-methoxypiperidine derivative, 8k | N-[(4...)
Show SMILES COc1ccccc1CC1(CCN(CC1)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(N[C@H](CCN(C)C)CSc2ccccc2)c(c1)[N+]([O-])=O)OC
Show InChI InChI=1S/C39H47N5O7S2/c1-42(2)23-20-31(28-52-33-11-6-5-7-12-33)40-35-19-18-34(26-36(35)44(46)47)53(48,49)41-38(45)29-14-16-32(17-15-29)43-24-21-39(51-4,22-25-43)27-30-10-8-9-13-37(30)50-3/h5-19,26,31,40H,20-25,27-28H2,1-4H3,(H,41,45)/t31-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

AffyNet 
Article
PubMed
1.60 -50.2n/an/a 250n/an/a7.425



Abbott Laboratories



Assay Description
The binding affinities (Ki) of compounds were determined using fluorescence polarization assays (FPA) that measure their ability to competitively dis...


Citation and Details
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (human))
BDBM21428
PNG
(4-Piperidinebenzylidene derivative, 10g | N-[(4-{[...)
Show SMILES COc1ccccc1C=C1CCN(CC1)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(N[C@H](CCN(C)C)CSc2ccccc2)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C38H43N5O6S2/c1-41(2)22-21-31(27-50-33-10-5-4-6-11-33)39-35-18-17-34(26-36(35)43(45)46)51(47,48)40-38(44)29-13-15-32(16-14-29)42-23-19-28(20-24-42)25-30-9-7-8-12-37(30)49-3/h4-18,25-26,31,39H,19-24,27H2,1-3H3,(H,40,44)/t31-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

AffyNet 
Article
PubMed
2 -49.7n/an/a 250n/an/a7.425



Abbott Laboratories



Assay Description
The binding affinities (Ki) of compounds were determined using fluorescence polarization assays (FPA) that measure their ability to competitively dis...


Citation and Details
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (human))
BDBM21415
PNG
(4-Alkyl-4-methoxypiperidine derivative, 8g | 4-{4-...)
Show SMILES COC1(Cc2cccc(Cl)c2)CCN(CC1)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(N[C@H](CCN(C)C)CSc2ccccc2)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C38H44ClN5O6S2/c1-42(2)21-18-31(27-51-33-10-5-4-6-11-33)40-35-17-16-34(25-36(35)44(46)47)52(48,49)41-37(45)29-12-14-32(15-13-29)43-22-19-38(50-3,20-23-43)26-28-8-7-9-30(39)24-28/h4-17,24-25,31,40H,18-23,26-27H2,1-3H3,(H,41,45)/t31-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

AffyNet 
Article
PubMed
1.80 -49.9n/an/a 300n/an/a7.425



Abbott Laboratories



Assay Description
The binding affinities (Ki) of compounds were determined using fluorescence polarization assays (FPA) that measure their ability to competitively dis...


Citation and Details
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (human))
BDBM50376902
PNG
(CHEMBL408194)
Show SMILES COC1=CC(=N\C1=C/c1[nH]c(C)cc1C)c1cc2ccccc2[nH]1
Show InChI InChI=1S/C20H19N3O/c1-12-8-13(2)21-16(12)10-19-20(24-3)11-18(23-19)17-9-14-6-4-5-7-15(14)22-17/h4-11,21-22H,1-3H3/b19-10-
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/an/an/a 300n/an/an/an/a



Clermont Universit£

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged recombinant Bcl2 interaction with biotinylated Bim peptide by ELISA based competitive binding assay


Citation and Details
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (human))
BDBM21438
PNG
(4-(4-{[2-(cyclohexylamino)phenyl]methyl}piperazin-...)
Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(Cc2ccccc2NC2CCCCC2)CC1
Show InChI InChI=1S/C42H53N7O5S2/c1-46(2)24-23-35(31-55-37-14-7-4-8-15-37)44-40-22-21-38(29-41(40)49(51)52)56(53,54)45-42(50)32-17-19-36(20-18-32)48-27-25-47(26-28-48)30-33-11-9-10-16-39(33)43-34-12-5-3-6-13-34/h4,7-11,14-22,29,34-35,43-44H,3,5-6,12-13,23-28,30-31H2,1-2H3,(H,45,50)/t35-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

AffyNet 
Article
PubMed
3.5 -48.3n/an/a 340n/an/a7.425



Abbott Laboratories



Assay Description
The binding affinities (Ki) of compounds were determined using fluorescence polarization assays (FPA) that measure their ability to competitively dis...


Citation and Details
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (human))
BDBM21423
PNG
(4-Piperidinebenzylidene derivative, 10b | N-[(4-{[...)
Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCC(CC1)=Cc1ccccc1F
Show InChI InChI=1S/C37H40FN5O5S2/c1-41(2)21-20-30(26-49-32-9-4-3-5-10-32)39-35-17-16-33(25-36(35)43(45)46)50(47,48)40-37(44)28-12-14-31(15-13-28)42-22-18-27(19-23-42)24-29-8-6-7-11-34(29)38/h3-17,24-25,30,39H,18-23,26H2,1-2H3,(H,40,44)/t30-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

AffyNet 
Article
PubMed
2.5 -49.1n/an/a 350n/an/a7.425



Abbott Laboratories



Assay Description
The binding affinities (Ki) of compounds were determined using fluorescence polarization assays (FPA) that measure their ability to competitively dis...


Citation and Details
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (human))
BDBM21424
PNG
(4-Piperidinebenzylidene derivative, 10c | 4-{4-[(2...)
Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCC(CC1)=Cc1ccccc1Cl
Show InChI InChI=1S/C37H40ClN5O5S2/c1-41(2)21-20-30(26-49-32-9-4-3-5-10-32)39-35-17-16-33(25-36(35)43(45)46)50(47,48)40-37(44)28-12-14-31(15-13-28)42-22-18-27(19-23-42)24-29-8-6-7-11-34(29)38/h3-17,24-25,30,39H,18-23,26H2,1-2H3,(H,40,44)/t30-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

AffyNet 
Article
PubMed
0.700 -52.3n/an/a 450n/an/a7.425



Abbott Laboratories



Assay Description
The binding affinities (Ki) of compounds were determined using fluorescence polarization assays (FPA) that measure their ability to competitively dis...


Citation and Details
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (human))
BDBM21439
PNG
(N-Benylpiperazine derivative, 23g | N-[(4-{[(2R)-4...)
Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(Cc2ccccc2N2CCOCC2)CC1
Show InChI InChI=1S/C40H49N7O6S2/c1-43(2)19-18-33(30-54-35-9-4-3-5-10-35)41-37-17-16-36(28-39(37)47(49)50)55(51,52)42-40(48)31-12-14-34(15-13-31)45-22-20-44(21-23-45)29-32-8-6-7-11-38(32)46-24-26-53-27-25-46/h3-17,28,33,41H,18-27,29-30H2,1-2H3,(H,42,48)/t33-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

AffyNet 
Article
PubMed
<1<-51.4n/an/a 460n/an/a7.425



Abbott Laboratories



Assay Description
The binding affinities (Ki) of compounds were determined using fluorescence polarization assays (FPA) that measure their ability to competitively dis...


Citation and Details
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (human))
BDBM21443
PNG
(N-Benylpiperazine derivative, 23l | N-[(4-{[(2R)-4...)
Show SMILES COc1cccc(c1)-c1ccccc1CN1CCN(CC1)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(N[C@H](CCN(C)C)CSc2ccccc2)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C43H48N6O6S2/c1-46(2)23-22-35(31-56-38-13-5-4-6-14-38)44-41-21-20-39(29-42(41)49(51)52)57(53,54)45-43(50)32-16-18-36(19-17-32)48-26-24-47(25-27-48)30-34-10-7-8-15-40(34)33-11-9-12-37(28-33)55-3/h4-21,28-29,35,44H,22-27,30-31H2,1-3H3,(H,45,50)/t35-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

AffyNet 
Article
PubMed
<1<-51.4n/an/a 460n/an/a7.425



Abbott Laboratories



Assay Description
The binding affinities (Ki) of compounds were determined using fluorescence polarization assays (FPA) that measure their ability to competitively dis...


Citation and Details
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (human))
BDBM21416
PNG
(4-Alkyl-4-methoxypiperidine derivative, 8h | 4-{4-...)
Show SMILES COC1(Cc2ccc(Cl)cc2)CCN(CC1)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(N[C@H](CCN(C)C)CSc2ccccc2)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C38H44ClN5O6S2/c1-42(2)22-19-31(27-51-33-7-5-4-6-8-33)40-35-18-17-34(25-36(35)44(46)47)52(48,49)41-37(45)29-11-15-32(16-12-29)43-23-20-38(50-3,21-24-43)26-28-9-13-30(39)14-10-28/h4-18,25,31,40H,19-24,26-27H2,1-3H3,(H,41,45)/t31-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

AffyNet 
Article
PubMed
2.70 -48.9n/an/a 500n/an/a7.425



Abbott Laboratories



Assay Description
The binding affinities (Ki) of compounds were determined using fluorescence polarization assays (FPA) that measure their ability to competitively dis...


Citation and Details
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (human))
BDBM21451
PNG
(N-Benylpiperazine derivative, 23s | N-[(4-{[(2R)-4...)
Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(Cc2ccccc2-c2ccc(cc2)S(C)(=O)=O)CC1
Show InChI InChI=1S/C43H48N6O7S3/c1-46(2)24-23-35(31-57-37-10-5-4-6-11-37)44-41-22-21-39(29-42(41)49(51)52)59(55,56)45-43(50)33-13-17-36(18-14-33)48-27-25-47(26-28-48)30-34-9-7-8-12-40(34)32-15-19-38(20-16-32)58(3,53)54/h4-22,29,35,44H,23-28,30-31H2,1-3H3,(H,45,50)/t35-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

AffyNet 
Article
PubMed
<1<-51.4n/an/a 530n/an/a7.425



Abbott Laboratories



Assay Description
The binding affinities (Ki) of compounds were determined using fluorescence polarization assays (FPA) that measure their ability to competitively dis...


Citation and Details
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (human))
BDBM32328
PNG
(4-[2-[(6,7-dimethoxy-2-sulfanylidene-1H-quinazolin...)
Show SMILES COc1cc2nc(=S)[nH]c(NCCc3ccc(cc3)S(N)(=O)=O)c2cc1OC
Show InChI InChI=1S/C18H20N4O4S2/c1-25-15-9-13-14(10-16(15)26-2)21-18(27)22-17(13)20-8-7-11-3-5-12(6-4-11)28(19,23)24/h3-6,9-10H,7-8H2,1-2H3,(H2,19,23,24)(H2,20,21,22,27)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

AffyNet 
PCBioAssay
n/an/an/an/a 540n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH 1X01 MH079850-01 HTS to identify small molecule regulators of Bcl-2 family protein int...


PubChem Bioassay (2008)

More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (human))
BDBM21405
PNG
(4-Piperidinebenzylidene derivative, 10a | N-[(4-{[...)
Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCC(CC1)=Cc1ccc(F)cc1
Show InChI InChI=1S/C37H40FN5O5S2/c1-41(2)21-20-31(26-49-33-6-4-3-5-7-33)39-35-17-16-34(25-36(35)43(45)46)50(47,48)40-37(44)29-10-14-32(15-11-29)42-22-18-28(19-23-42)24-27-8-12-30(38)13-9-27/h3-17,24-25,31,39H,18-23,26H2,1-2H3,(H,40,44)/t31-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

AffyNet 
Article
PubMed
3.40 -48.3n/an/a 600n/an/a7.425



Abbott Laboratories



Assay Description
The binding affinities (Ki) of compounds were determined using fluorescence polarization assays (FPA) that measure their ability to competitively dis...


Citation and Details
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (human))
BDBM32318
PNG
(4-[[4-(2-methyl-3-imidazo[1,2-a]pyrimidinyl)-2-thi...)
Show SMILES Cc1nc2ncccn2c1-c1csc(Nc2ccc(O)cc2)n1
Show InChI InChI=1S/C16H13N5OS/c1-10-14(21-8-2-7-17-15(21)18-10)13-9-23-16(20-13)19-11-3-5-12(22)6-4-11/h2-9,22H,1H3,(H,19,20)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

AffyNet 
PCBioAssay
n/an/an/an/a 670n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH 1X01 MH079850-01 HTS to identify small molecule regulators of Bcl-2 family protein int...


PubChem Bioassay (2008)

More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (human))
BDBM21410
PNG
(4-Alkyl-4-methoxypiperidine derivative, 8a | N-[(4...)
Show SMILES COC1(CC(C)C)CCN(CC1)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(N[C@H](CCN(C)C)CSc2ccccc2)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C35H47N5O6S2/c1-26(2)24-35(46-5)18-21-39(22-19-35)29-13-11-27(12-14-29)34(41)37-48(44,45)31-15-16-32(33(23-31)40(42)43)36-28(17-20-38(3)4)25-47-30-9-7-6-8-10-30/h6-16,23,26,28,36H,17-22,24-25H2,1-5H3,(H,37,41)/t28-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

AffyNet 
Article
PubMed
56 -41.4n/an/a 700n/an/a7.425



Abbott Laboratories



Assay Description
The binding affinities (Ki) of compounds were determined using fluorescence polarization assays (FPA) that measure their ability to competitively dis...


Citation and Details
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (human))
BDBM50265689
PNG
((2S,5S,8S,11S,14S)-14-((5S,8S,11S,14S,17S,20S,26S,...)
Show SMILES CCCC[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)CN)C(=O)NCC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H]([C@@H](C)CC)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(O)=O
Show InChI InChI=1S/C73H127N25O24/c1-11-15-18-39(90-62(112)41(21-23-48(75)99)87-51(102)31-74)60(110)84-32-52(103)88-40(19-16-25-82-72(78)79)61(111)91-42(22-24-49(76)100)63(113)93-44(27-34(5)6)64(114)86-38(10)59(109)96-58(37(9)14-4)70(120)98-56(35(7)12-2)68(118)85-33-53(104)89-46(29-54(105)106)66(116)94-47(30-55(107)108)67(117)97-57(36(8)13-3)69(119)95-45(28-50(77)101)65(115)92-43(71(121)122)20-17-26-83-73(80)81/h34-47,56-58H,11-33,74H2,1-10H3,(H2,75,99)(H2,76,100)(H2,77,101)(H,84,110)(H,85,118)(H,86,114)(H,87,102)(H,88,103)(H,89,104)(H,90,112)(H,91,111)(H,92,115)(H,93,113)(H,94,116)(H,95,119)(H,96,109)(H,97,117)(H,98,120)(H,105,106)(H,107,108)(H,121,122)(H4,78,79,82)(H4,80,81,83)/t35-,36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,47-,56-,57-,58-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

AffyNet 
Article
PubMed
n/an/an/an/a 757n/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Binding affinity to recombinant Bcl-2 (unknown origin) expressed in Escherichia coli BL21 by fluorescence polarization assay


Citation and Details
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (human))
BDBM33048
PNG
((5Z)-5-{[4-(dimethylamino)phenyl]imino}-1-(3-hydro...)
Show SMILES CN(C)c1ccc(cc1)\N=C1/C(C)=C(C#N)C(=O)N(CCCO)C1=O
Show InChI InChI=1S/C18H20N4O3/c1-12-15(11-19)17(24)22(9-4-10-23)18(25)16(12)20-13-5-7-14(8-6-13)21(2)3/h5-8,23H,4,9-10H2,1-3H3/b20-16+
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

AffyNet 
PCBioAssay
n/an/an/an/a 760n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH 1X01 MH079850-01 HTS to identify small molecule regulators of Bcl-2 family protein int...


PubChem Bioassay (2008)

More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (human))
BDBM21442
PNG
(N-Benylpiperazine derivative, 23k | N-[(4-{[(2R)-4...)
Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(Cc2ccccc2-c2cccnc2)CC1
Show InChI InChI=1S/C41H45N7O5S2/c1-45(2)22-20-34(30-54-36-11-4-3-5-12-36)43-39-19-18-37(27-40(39)48(50)51)55(52,53)44-41(49)31-14-16-35(17-15-31)47-25-23-46(24-26-47)29-33-9-6-7-13-38(33)32-10-8-21-42-28-32/h3-19,21,27-28,34,43H,20,22-26,29-30H2,1-2H3,(H,44,49)/t34-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

AffyNet 
Article
PubMed
1 -51.4n/an/a 820n/an/a7.425



Abbott Laboratories



Assay Description
The binding affinities (Ki) of compounds were determined using fluorescence polarization assays (FPA) that measure their ability to competitively dis...


Citation and Details
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (human))
BDBM33097
PNG
(3-[[7-(1,3-benzothiazol-2-ylsulfanyl)-4-nitro-2,1,...)
Show SMILES CC(=O)OCCCNc1cc(Sc2nc3ccccc3s2)c2nonc2c1[N+]([O-])=O
Show InChI InChI=1S/C18H15N5O5S2/c1-10(24)27-8-4-7-19-12-9-14(15-16(22-28-21-15)17(12)23(25)26)30-18-20-11-5-2-3-6-13(11)29-18/h2-3,5-6,9,19H,4,7-8H2,1H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

AffyNet 
PCBioAssay
n/an/an/an/a 840n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH 1X01 MH079850-01 HTS to identify small molecule regulators of Bcl-2 family protein int...


PubChem Bioassay (2009)

More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (human))
BDBM21401
PNG
(4-(4-benzyl-4-methoxypiperidin-1-yl)-N-[(4-{[(2R)-...)
Show SMILES COC1(Cc2ccccc2)CCN(CC1)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(N[C@H](CCN(C)C)CSc2ccccc2)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C38H45N5O6S2/c1-41(2)23-20-31(28-50-33-12-8-5-9-13-33)39-35-19-18-34(26-36(35)43(45)46)51(47,48)40-37(44)30-14-16-32(17-15-30)42-24-21-38(49-3,22-25-42)27-29-10-6-4-7-11-29/h4-19,26,31,39H,20-25,27-28H2,1-3H3,(H,40,44)/t31-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

AffyNet 
Article
PubMed
8.10 -46.2n/an/a 930n/an/a7.425



Abbott Laboratories



Assay Description
The binding affinities (Ki) of compounds were determined using fluorescence polarization assays (FPA) that measure their ability to competitively dis...


Citation and Details
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (human))
BDBM21433
PNG
(N-Benylpiperazine derivative, 23b | N-[(4-{[(2R)-4...)
Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(Cc2ccccc2C)CC1
Show InChI InChI=1S/C37H44N6O5S2/c1-28-9-7-8-10-30(28)26-41-21-23-42(24-22-41)32-15-13-29(14-16-32)37(44)39-50(47,48)34-17-18-35(36(25-34)43(45)46)38-31(19-20-40(2)3)27-49-33-11-5-4-6-12-33/h4-18,25,31,38H,19-24,26-27H2,1-3H3,(H,39,44)/t31-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

AffyNet 
Article
PubMed
4.5 -47.6n/an/a 940n/an/a7.425



Abbott Laboratories



Assay Description
The binding affinities (Ki) of compounds were determined using fluorescence polarization assays (FPA) that measure their ability to competitively dis...


Citation and Details
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (human))
BDBM21435
PNG
(N-Benylpiperazine derivative, 23c | N-[(4-{[(2R)-4...)
Show SMILES COc1ccccc1CN1CCN(CC1)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(N[C@H](CCN(C)C)CSc2ccccc2)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C37H44N6O6S2/c1-40(2)20-19-30(27-50-32-10-5-4-6-11-32)38-34-18-17-33(25-35(34)43(45)46)51(47,48)39-37(44)28-13-15-31(16-14-28)42-23-21-41(22-24-42)26-29-9-7-8-12-36(29)49-3/h4-18,25,30,38H,19-24,26-27H2,1-3H3,(H,39,44)/t30-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

AffyNet 
Article
PubMed
3.20 -48.5n/an/a 950n/an/a7.425



Abbott Laboratories



Assay Description
The binding affinities (Ki) of compounds were determined using fluorescence polarization assays (FPA) that measure their ability to competitively dis...


Citation and Details
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (human))
BDBM33102
PNG
(MLS000571745 | N-ethyl-N-(1-hydroxy-3,4-diketo-2-n...)
Show SMILES CCN(C1C(=O)C(=O)c2ccccc2C1=O)C(=O)CC
Show InChI InChI=1S/C15H15NO4/c1-3-11(17)16(4-2)12-13(18)9-7-5-6-8-10(9)14(19)15(12)20/h5-8,12H,3-4H2,1-2H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

AffyNet 
PCBioAssay
n/an/an/an/a 980n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH 1X01 MH079850-01 HTS to identify small molecule regulators of Bcl-2 family protein int...


PubChem Bioassay (2008)

More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (human))
BDBM21411
PNG
(4-Alkyl-4-methoxypiperidine derivative, 8b | N-[(4...)
Show SMILES COC1(CC(C)(C)C)CCN(CC1)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(N[C@H](CCN(C)C)CSc2ccccc2)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C36H49N5O6S2/c1-35(2,3)26-36(47-6)19-22-40(23-20-36)29-14-12-27(13-15-29)34(42)38-49(45,46)31-16-17-32(33(24-31)41(43)44)37-28(18-21-39(4)5)25-48-30-10-8-7-9-11-30/h7-17,24,28,37H,18-23,25-26H2,1-6H3,(H,38,42)/t28-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

AffyNet 
Article
PubMed
16 -44.5n/an/a 1.00E+3n/an/a7.425



Abbott Laboratories



Assay Description
The binding affinities (Ki) of compounds were determined using fluorescence polarization assays (FPA) that measure their ability to competitively dis...


Citation and Details
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (human))
BDBM21422
PNG
(4-Alkyl-4-methoxypiperidine derivative, 8n | N-[(4...)
Show SMILES COC1(Cc2ccc(cc2)-c2ccccc2)CCN(CC1)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(N[C@H](CCN(C)C)CSc2ccccc2)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C44H49N5O6S2/c1-47(2)27-24-37(32-56-39-12-8-5-9-13-39)45-41-23-22-40(30-42(41)49(51)52)57(53,54)46-43(50)36-18-20-38(21-19-36)48-28-25-44(55-3,26-29-48)31-33-14-16-35(17-15-33)34-10-6-4-7-11-34/h4-23,30,37,45H,24-29,31-32H2,1-3H3,(H,46,50)/t37-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

AffyNet 
Article
PubMed
<1<-51.4n/an/a 1.10E+3n/an/a7.425



Abbott Laboratories



Assay Description
The binding affinities (Ki) of compounds were determined using fluorescence polarization assays (FPA) that measure their ability to competitively dis...


Citation and Details
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (human))
BDBM50265716
PNG
((2S,5S,8S,11S,14S)-14-((5S,8S,11S,14S,17S,20S,26S,...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)CN)C(C)C)[C@@H](C)CC)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccc(Cl)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(O)=O
Show InChI InChI=1S/C75H122ClN25O24/c1-10-36(7)59(71(122)88-33-55(107)92-48(29-56(108)109)68(119)98-49(30-57(110)111)69(120)96-46(27-39-16-18-40(76)19-17-39)66(117)97-47(28-52(80)104)67(118)94-44(73(124)125)15-13-25-86-75(83)84)101-72(123)60(37(8)11-2)100-61(112)38(9)89-65(116)45(26-34(3)4)95-63(114)43(21-23-51(79)103)93-62(113)41(14-12-24-85-74(81)82)91-54(106)32-87-70(121)58(35(5)6)99-64(115)42(20-22-50(78)102)90-53(105)31-77/h16-19,34-38,41-49,58-60H,10-15,20-33,77H2,1-9H3,(H2,78,102)(H2,79,103)(H2,80,104)(H,87,121)(H,88,122)(H,89,116)(H,90,105)(H,91,106)(H,92,107)(H,93,113)(H,94,118)(H,95,114)(H,96,120)(H,97,117)(H,98,119)(H,99,115)(H,100,112)(H,101,123)(H,108,109)(H,110,111)(H,124,125)(H4,81,82,85)(H4,83,84,86)/t36-,37-,38-,41-,42-,43-,44-,45-,46-,47-,48-,49-,58-,59-,60-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

AffyNet 
Article
PubMed
n/an/an/an/a 1.14E+3n/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Binding affinity to recombinant Bcl-2 (unknown origin) expressed in Escherichia coli BL21 by fluorescence polarization assay


Citation and Details
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (human))
BDBM21425
PNG
(4-Piperidinebenzylidene derivative, 10d | 4-{4-[(4...)
Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCC(CC1)=Cc1ccc(Cl)cc1
Show InChI InChI=1S/C37H40ClN5O5S2/c1-41(2)21-20-31(26-49-33-6-4-3-5-7-33)39-35-17-16-34(25-36(35)43(45)46)50(47,48)40-37(44)29-10-14-32(15-11-29)42-22-18-28(19-23-42)24-27-8-12-30(38)13-9-27/h3-17,24-25,31,39H,18-23,26H2,1-2H3,(H,40,44)/t31-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

AffyNet 
Article
PubMed
2.10 -49.5n/an/a 1.18E+3n/an/a7.425



Abbott Laboratories



Assay Description
The binding affinities (Ki) of compounds were determined using fluorescence polarization assays (FPA) that measure their ability to competitively dis...


Citation and Details
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (human))
BDBM32281
PNG
(6-(3,4-Dimethoxy-phenyl)-3-furan-2-yl-7H-[1,2,4]tr...)
Show SMILES COc1ccc(cc1OC)C1=Nn2c(SC1)nnc2-c1ccco1
Show InChI InChI=1S/C16H14N4O3S/c1-21-12-6-5-10(8-14(12)22-2)11-9-24-16-18-17-15(20(16)19-11)13-4-3-7-23-13/h3-8H,9H2,1-2H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

AffyNet 
PCBioAssay
n/an/an/an/a 1.21E+3n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH 1X01 MH079850-01 HTS to identify small molecule regulators of Bcl-2 family protein int...


PubChem Bioassay (2008)

More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (human))
BDBM21430
PNG
(4-Piperidinebenzylidene derivative, 10i | N-[(4-{[...)
Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCC(CC1)=Cc1ccccn1
Show InChI InChI=1S/C36H40N6O5S2/c1-40(2)21-19-30(26-48-32-9-4-3-5-10-32)38-34-16-15-33(25-35(34)42(44)45)49(46,47)39-36(43)28-11-13-31(14-12-28)41-22-17-27(18-23-41)24-29-8-6-7-20-37-29/h3-16,20,24-25,30,38H,17-19,21-23,26H2,1-2H3,(H,39,43)/t30-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

AffyNet 
Article
PubMed
46 -41.9n/an/a 1.38E+3n/an/a7.425



Abbott Laboratories



Assay Description
The binding affinities (Ki) of compounds were determined using fluorescence polarization assays (FPA) that measure their ability to competitively dis...


Citation and Details
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 170 total )  |  Next  |  Last  >>
Jump to: