BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 1151 hits with Last Name = 'stuckey' and Initial = 'j'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Bromodomain-containing protein 3 Bromo 2 domain(BRD3 BD2)


(Homo sapiens (Human))
BDBM179480
PNG
(US9675697, Cpd. No. 68)
Show SMILES COc1cc2c(cc1-c1c(C)noc1C)[nH]c1nc(C)nc(-c3c(C)[nH]c4ccccc34)c21
Show InChI InChI=1S/C26H23N5O2/c1-12-23(16-8-6-7-9-19(16)27-12)25-24-17-11-21(32-5)18(22-13(2)31-33-14(22)3)10-20(17)30-26(24)29-15(4)28-25/h6-11,27H,1-5H3,(H,28,29,30)
GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
0.650 -52.4n/an/an/an/an/an/a25



THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent


Assay Description
Fluorescence Polarization (FP) competitive binding studies (see above) were carried out using the FAM labeled fluorescent probe Cpd. No. 350 to deter...


US Patent US9675697 (2017)


Article DOI: 10.1021/jm970615f
BindingDB Entry DOI: 10.7270/Q2CC0XV6
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM50397455
PNG
(CHEMBL2170838)
Show SMILES CC(C)n1c(C)c(C(O)=O)c(c1-c1ccc(Cl)cc1)-c1cccc(c1)N1CCN(CC1)c1ccc(NS(=O)(=O)c2ccc(N[C@H](CCN3CCC(O)CC3)CSc3ccccc3)c(c2)S(=O)(=O)C(F)(F)F)cc1
Show InChI InChI=1S/C53H58ClF3N6O7S3/c1-35(2)63-36(3)49(52(65)66)50(51(63)37-12-14-39(54)15-13-37)38-8-7-9-43(32-38)62-30-28-61(29-31-62)42-18-16-40(17-19-42)59-73(69,70)46-20-21-47(48(33-46)72(67,68)53(55,56)57)58-41(34-71-45-10-5-4-6-11-45)22-25-60-26-23-44(64)24-27-60/h4-21,32-33,35,41,44,58-59,64H,22-31,34H2,1-3H3,(H,65,66)/t41-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.800n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Binding affinity to N-terminal 6xHis-tagged human Bcl-2 expressed in Escherichia coli BL21 (DE3) after 2 hrs by fluorescence polarization assay


J Med Chem 55: 8502-14 (2012)


Article DOI: 10.1021/jm3010306
BindingDB Entry DOI: 10.7270/Q2V69KQ9
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM50388994
PNG
(CHEMBL2063897)
Show SMILES CCc1c(c(c(C(O)=O)n1C)-c1cccc(c1)N1CCN(CC1)c1ccc(NS(=O)(=O)c2ccc(N[C@H](CCN(C)C)CSc3ccccc3)c(c2)[N+]([O-])=O)cc1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C48H52ClN7O6S2/c1-5-43-45(33-14-16-35(49)17-15-33)46(47(48(57)58)53(43)4)34-10-9-11-39(30-34)55-28-26-54(27-29-55)38-20-18-36(19-21-38)51-64(61,62)41-22-23-42(44(31-41)56(59)60)50-37(24-25-52(2)3)32-63-40-12-7-6-8-13-40/h6-23,30-31,37,50-51H,5,24-29,32H2,1-4H3,(H,57,58)/t37-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.800n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Binding affinity to N-terminus 6X His-tagged human Bcl2 expressed in Escherichia coli BL21 (DE3) cells after 2 hrs by fluorescence polarization assay


J Med Chem 55: 4664-82 (2012)


Article DOI: 10.1021/jm300178u
BindingDB Entry DOI: 10.7270/Q2862HHV
More data for this
Ligand-Target Pair
Bromodomain-containing protein 3 Bromo 2 domain(BRD3 BD2)


(Homo sapiens (Human))
BDBM179633
PNG
(US9675697, Cpd. No. 316)
Show SMILES COc1cc2c(cc1-c1c(C)noc1C)[nH]c1nc(C)nc(-c3ccc(NC(=O)N4CCN(C)CC4)c4ccccc34)c21
Show InChI InChI=1S/C33H33N7O3/c1-18-29(19(2)43-38-18)25-16-27-24(17-28(25)42-5)30-31(34-20(3)35-32(30)36-27)23-10-11-26(22-9-7-6-8-21(22)23)37-33(41)40-14-12-39(4)13-15-40/h6-11,16-17H,12-15H2,1-5H3,(H,37,41)(H,34,35,36)
GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
0.820 -51.9n/an/an/an/an/an/a25



THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent


Assay Description
Fluorescence Polarization (FP) competitive binding studies (see above) were carried out using the FAM labeled fluorescent probe Cpd. No. 350 to deter...


US Patent US9675697 (2017)


Article DOI: 10.1021/jm970615f
BindingDB Entry DOI: 10.7270/Q2CC0XV6
More data for this
Ligand-Target Pair
Bromodomain-containing protein 3 Bromo 2 domain(BRD3 BD2)


(Homo sapiens (Human))
BDBM179574
PNG
(US9675697, Cpd. No. 212)
Show SMILES COc1cc2c(cc1-c1c(C)noc1C)[nH]c1nc(C)nc(-c3cc([nH]c3C(C)C)C(=O)NC3CCN(CC3)C3CCOCC3)c21
Show InChI InChI=1S/C35H43N7O4/c1-18(2)32-26(16-28(39-32)35(43)38-22-7-11-42(12-8-22)23-9-13-45-14-10-23)33-31-24-17-29(44-6)25(30-19(3)41-46-20(30)4)15-27(24)40-34(31)37-21(5)36-33/h15-18,22-23,39H,7-14H2,1-6H3,(H,38,43)(H,36,37,40)
GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
1 -51.4n/an/an/an/an/an/a25



THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent


Assay Description
Fluorescence Polarization (FP) competitive binding studies (see above) were carried out using the FAM labeled fluorescent probe Cpd. No. 350 to deter...


US Patent US9675697 (2017)


Article DOI: 10.1021/jm970615f
BindingDB Entry DOI: 10.7270/Q2CC0XV6
More data for this
Ligand-Target Pair
Bromodomain-containing protein 3 Bromo 2 domain(BRD3 BD2)


(Homo sapiens (Human))
BDBM179638
PNG
(US9675697, Cpd. No. 319)
Show SMILES COc1cc2c(cc1-c1c(C)noc1C)[nH]c1nc(C)nc(-c3cc(cc(c3)C(C)(C)C)C(=O)NC3CCN(C)CC3)c21
Show InChI InChI=1S/C34H40N6O3/c1-18-29(19(2)43-39-18)26-16-27-25(17-28(26)42-8)30-31(35-20(3)36-32(30)38-27)21-13-22(15-23(14-21)34(4,5)6)33(41)37-24-9-11-40(7)12-10-24/h13-17,24H,9-12H2,1-8H3,(H,37,41)(H,35,36,38)
GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
1.10 -51.1n/an/an/an/an/an/a25



THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent


Assay Description
Fluorescence Polarization (FP) competitive binding studies (see above) were carried out using the FAM labeled fluorescent probe Cpd. No. 350 to deter...


US Patent US9675697 (2017)


Article DOI: 10.1021/jm970615f
BindingDB Entry DOI: 10.7270/Q2CC0XV6
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM50393836
PNG
(CHEMBL2159738)
Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)Nc1ccc(cc1)N1CCN(CC1)c1cccc(c1)-c1cc(C)n(C)c1-c1ccc(Cl)cc1
Show InChI InChI=1S/C46H50ClN7O4S2/c1-33-29-43(46(51(33)4)34-13-15-36(47)16-14-34)35-9-8-10-40(30-35)53-27-25-52(26-28-53)39-19-17-37(18-20-39)49-60(57,58)42-21-22-44(45(31-42)54(55)56)48-38(23-24-50(2)3)32-59-41-11-6-5-7-12-41/h5-22,29-31,38,48-49H,23-28,32H2,1-4H3/t38-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.20n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal His8-tagged Bcl-XL expressed in Escherichia coli BL21(DE3) assessed as inhibition of Fluorescein-labeled BAK binding a...


J Med Chem 55: 6149-61 (2012)


Article DOI: 10.1021/jm300608w
BindingDB Entry DOI: 10.7270/Q2J10485
More data for this
Ligand-Target Pair
Bromodomain-containing protein 3 Bromo 2 domain(BRD3 BD2)


(Homo sapiens (Human))
BDBM179493
PNG
(US9675697, Cpd. No. 211)
Show SMILES COc1cc2c(cc1-c1c(C)noc1C)[nH]c1nc(C)nc(-c3cc([nH]c3C(C)C)C(=O)NC3CCN(C)CC3)c21
Show InChI InChI=1S/C31H37N7O3/c1-15(2)28-22(13-24(35-28)31(39)34-19-8-10-38(6)11-9-19)29-27-20-14-25(40-7)21(26-16(3)37-41-17(26)4)12-23(20)36-30(27)33-18(5)32-29/h12-15,19,35H,8-11H2,1-7H3,(H,34,39)(H,32,33,36)
GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
1.20 -50.9n/an/an/an/an/an/a25



THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent


Assay Description
Fluorescence Polarization (FP) competitive binding studies (see above) were carried out using the FAM labeled fluorescent probe Cpd. No. 350 to deter...


US Patent US9675697 (2017)


Article DOI: 10.1021/jm970615f
BindingDB Entry DOI: 10.7270/Q2CC0XV6
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM50397456
PNG
(CHEMBL2170837)
Show SMILES CCn1c(C)c(C(O)=O)c(c1-c1ccc(Cl)cc1)-c1cccc(c1)N1CCN(CC1)c1ccc(NS(=O)(=O)c2ccc(N[C@H](CCN3CCC(O)CC3)CSc3ccccc3)c(c2)S(=O)(=O)C(F)(F)F)cc1
Show InChI InChI=1S/C52H56ClF3N6O7S3/c1-3-62-35(2)48(51(64)65)49(50(62)36-12-14-38(53)15-13-36)37-8-7-9-42(32-37)61-30-28-60(29-31-61)41-18-16-39(17-19-41)58-72(68,69)45-20-21-46(47(33-45)71(66,67)52(54,55)56)57-40(34-70-44-10-5-4-6-11-44)22-25-59-26-23-43(63)24-27-59/h4-21,32-33,40,43,57-58,63H,3,22-31,34H2,1-2H3,(H,64,65)/t40-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.20n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Binding affinity to N-terminal 6xHis-tagged human Bcl-2 expressed in Escherichia coli BL21 (DE3) after 2 hrs by fluorescence polarization assay


J Med Chem 55: 8502-14 (2012)


Article DOI: 10.1021/jm3010306
BindingDB Entry DOI: 10.7270/Q2V69KQ9
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM50388990
PNG
(CHEMBL2063893)
Show SMILES CNC(=O)c1c(c(cn1C)-c1ccc(Cl)cc1)-c1cccc(c1)N1CCN(CC1)c1ccc(NS(=O)(=O)c2ccc(N[C@H](CCN(C)C)CSc3ccccc3)c(c2)[N+]([O-])=O)cc1
Show InChI InChI=1S/C47H51ClN8O5S2/c1-49-47(57)46-45(42(31-53(46)4)33-13-15-35(48)16-14-33)34-9-8-10-39(29-34)55-27-25-54(26-28-55)38-19-17-36(18-20-38)51-63(60,61)41-21-22-43(44(30-41)56(58)59)50-37(23-24-52(2)3)32-62-40-11-6-5-7-12-40/h5-22,29-31,37,50-51H,23-28,32H2,1-4H3,(H,49,57)/t37-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.20n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Binding affinity to N-terminus 6X His-tagged human Bcl2 expressed in Escherichia coli BL21 (DE3) cells after 2 hrs by fluorescence polarization assay


J Med Chem 55: 4664-82 (2012)


Article DOI: 10.1021/jm300178u
BindingDB Entry DOI: 10.7270/Q2862HHV
More data for this
Ligand-Target Pair
Bromodomain-containing protein 3 Bromo 2 domain(BRD3 BD2)


(Homo sapiens (Human))
BDBM179492
PNG
(US9675697, Cpd. No. 207)
Show SMILES COc1cc2c(cc1-c1c(C)noc1C)[nH]c1nc(C)nc(-c3ccc(C(=O)N4CCN(C)CC4)c4ccccc34)c21
Show InChI InChI=1S/C33H32N6O3/c1-18-29(19(2)42-37-18)26-16-27-25(17-28(26)41-5)30-31(34-20(3)35-32(30)36-27)23-10-11-24(22-9-7-6-8-21(22)23)33(40)39-14-12-38(4)13-15-39/h6-11,16-17H,12-15H2,1-5H3,(H,34,35,36)
GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
1.30 -50.7n/an/an/an/an/an/a25



THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent


Assay Description
Fluorescence Polarization (FP) competitive binding studies (see above) were carried out using the FAM labeled fluorescent probe Cpd. No. 350 to deter...


US Patent US9675697 (2017)


Article DOI: 10.1021/jm970615f
BindingDB Entry DOI: 10.7270/Q2CC0XV6
More data for this
Ligand-Target Pair
Bromodomain-containing protein 3 Bromo 2 domain(BRD3 BD2)


(Homo sapiens (Human))
BDBM179491
PNG
(US9675697, Cpd. No. 197)
Show SMILES COc1cc2c(cc1-c1c(C)noc1C)[nH]c1nc(C)nc(-c3ccc(C(=O)NC4CCN(CC4)C4COC4)c4ccccc34)c21
Show InChI InChI=1S/C36H36N6O4/c1-19-32(20(2)46-41-19)29-15-30-28(16-31(29)44-4)33-34(37-21(3)38-35(33)40-30)26-9-10-27(25-8-6-5-7-24(25)26)36(43)39-22-11-13-42(14-12-22)23-17-45-18-23/h5-10,15-16,22-23H,11-14,17-18H2,1-4H3,(H,39,43)(H,37,38,40)
GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
1.30 -50.7n/an/an/an/an/an/a25



THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent


Assay Description
Fluorescence Polarization (FP) competitive binding studies (see above) were carried out using the FAM labeled fluorescent probe Cpd. No. 350 to deter...


US Patent US9675697 (2017)


Article DOI: 10.1021/jm970615f
BindingDB Entry DOI: 10.7270/Q2CC0XV6
More data for this
Ligand-Target Pair
Bromodomain-containing protein 3 Bromo 2 domain(BRD3 BD2)


(Homo sapiens (Human))
BDBM179490
PNG
(US9675697, Cpd. No. 196)
Show SMILES COc1cc2c(cc1-c1c(C)noc1C)[nH]c1nc(C)nc(-c3ccc(C(=O)NC4CCN(C)CC4)c4ccccc34)c21
Show InChI InChI=1S/C34H34N6O3/c1-18-30(19(2)43-39-18)27-16-28-26(17-29(27)42-5)31-32(35-20(3)36-33(31)38-28)24-10-11-25(23-9-7-6-8-22(23)24)34(41)37-21-12-14-40(4)15-13-21/h6-11,16-17,21H,12-15H2,1-5H3,(H,37,41)(H,35,36,38)
GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
1.40 -50.5n/an/an/an/an/an/a25



THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent


Assay Description
Fluorescence Polarization (FP) competitive binding studies (see above) were carried out using the FAM labeled fluorescent probe Cpd. No. 350 to deter...


US Patent US9675697 (2017)


Article DOI: 10.1021/jm970615f
BindingDB Entry DOI: 10.7270/Q2CC0XV6
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM50388986
PNG
(CHEMBL2063886)
Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)Nc1ccc(cc1)C#Cc1cccc(c1)-c1c(cn(CC[C@H](O)CO)c1C(=O)NCCCN1CCN(C)CC1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C55H63ClN8O7S2/c1-60(2)29-25-46(39-72-48-11-5-4-6-12-48)58-51-24-23-49(36-52(51)64(68)69)73(70,71)59-45-21-15-40(16-22-45)13-14-41-9-7-10-43(35-41)53-50(42-17-19-44(56)20-18-42)37-63(30-26-47(66)38-65)54(53)55(67)57-27-8-28-62-33-31-61(3)32-34-62/h4-7,9-12,15-24,35-37,46-47,58-59,65-66H,8,25-34,38-39H2,1-3H3,(H,57,67)/t46-,47+/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.5n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Binding affinity to N-terminus 6X His-tagged human Bcl2 expressed in Escherichia coli BL21 (DE3) cells after 2 hrs by fluorescence polarization assay


J Med Chem 55: 4664-82 (2012)


Article DOI: 10.1021/jm300178u
BindingDB Entry DOI: 10.7270/Q2862HHV
More data for this
Ligand-Target Pair
Bromodomain-containing protein 2 Bromo 2 domain(BRD2 BD2)


(Homo sapiens (Human))
BDBM179480
PNG
(US9675697, Cpd. No. 68)
Show SMILES COc1cc2c(cc1-c1c(C)noc1C)[nH]c1nc(C)nc(-c3c(C)[nH]c4ccccc34)c21
Show InChI InChI=1S/C26H23N5O2/c1-12-23(16-8-6-7-9-19(16)27-12)25-24-17-11-21(32-5)18(22-13(2)31-33-14(22)3)10-20(17)30-26(24)29-15(4)28-25/h6-11,27H,1-5H3,(H,28,29,30)
GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
1.70 -50.1n/an/an/an/an/an/a25



THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent


Assay Description
Fluorescence Polarization (FP) competitive binding studies (see above) were carried out using the FAM labeled fluorescent probe Cpd. No. 350 to deter...


US Patent US9675697 (2017)


Article DOI: 10.1021/jm970615f
BindingDB Entry DOI: 10.7270/Q2CC0XV6
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM50397462
PNG
(CHEMBL2170848)
Show SMILES Cc1c(C(O)=O)c(c(-c2ccc(Cl)cc2)n1C)-c1cccc(c1)N1CCN(CC1)c1ccc(NS(=O)(=O)c2ccc(N[C@H](CCN3CCC3)CSc3ccccc3)c(c2)S(=O)(=O)C(F)(F)F)cc1
Show InChI InChI=1S/C49H50ClF3N6O6S3/c1-33-45(48(60)61)46(47(56(33)2)34-12-14-36(50)15-13-34)35-8-6-9-40(30-35)59-28-26-58(27-29-59)39-18-16-37(17-19-39)55-68(64,65)42-20-21-43(44(31-42)67(62,63)49(51,52)53)54-38(22-25-57-23-7-24-57)32-66-41-10-4-3-5-11-41/h3-6,8-21,30-31,38,54-55H,7,22-29,32H2,1-2H3,(H,60,61)/t38-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.70n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Binding affinity to N-terminal 6xHis-tagged human Bcl-2 expressed in Escherichia coli BL21 (DE3) after 2 hrs by fluorescence polarization assay


J Med Chem 55: 8502-14 (2012)


Article DOI: 10.1021/jm3010306
BindingDB Entry DOI: 10.7270/Q2V69KQ9
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM50397459
PNG
(CHEMBL2170851)
Show SMILES Cc1c(C(O)=O)c(c(-c2ccc(Cl)cc2)n1C)-c1cccc(c1)N1CCN(CC1)c1ccc(NS(=O)(=O)c2ccc(N[C@H](CCN3CC(O)C3)CSc3ccccc3)c(c2)S(=O)(=O)C(F)(F)F)cc1
Show InChI InChI=1S/C49H50ClF3N6O7S3/c1-32-45(48(61)62)46(47(56(32)2)33-11-13-35(50)14-12-33)34-7-6-8-39(27-34)59-25-23-58(24-26-59)38-17-15-36(16-18-38)55-69(65,66)42-19-20-43(44(28-42)68(63,64)49(51,52)53)54-37(21-22-57-29-40(60)30-57)31-67-41-9-4-3-5-10-41/h3-20,27-28,37,40,54-55,60H,21-26,29-31H2,1-2H3,(H,61,62)/t37-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.70n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Binding affinity to N-terminal 6xHis-tagged human Bcl-2 expressed in Escherichia coli BL21 (DE3) after 2 hrs by fluorescence polarization assay


J Med Chem 55: 8502-14 (2012)


Article DOI: 10.1021/jm3010306
BindingDB Entry DOI: 10.7270/Q2V69KQ9
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM50388986
PNG
(CHEMBL2063886)
Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)Nc1ccc(cc1)C#Cc1cccc(c1)-c1c(cn(CC[C@H](O)CO)c1C(=O)NCCCN1CCN(C)CC1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C55H63ClN8O7S2/c1-60(2)29-25-46(39-72-48-11-5-4-6-12-48)58-51-24-23-49(36-52(51)64(68)69)73(70,71)59-45-21-15-40(16-22-45)13-14-41-9-7-10-43(35-41)53-50(42-17-19-44(56)20-18-42)37-63(30-26-47(66)38-65)54(53)55(67)57-27-8-28-62-33-31-61(3)32-34-62/h4-7,9-12,15-24,35-37,46-47,58-59,65-66H,8,25-34,38-39H2,1-3H3,(H,57,67)/t46-,47+/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.70n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Binding affinity to N-terminus 8X His-tagged human Bcl-xL expressed in Escherichia coli BL21 (DE3) cells after 2 hrs by fluorescence polarization ass...


J Med Chem 55: 4664-82 (2012)


Article DOI: 10.1021/jm300178u
BindingDB Entry DOI: 10.7270/Q2862HHV
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM50388992
PNG
(CHEMBL2063895)
Show SMILES CCOC(=O)c1c(c(cn1C)-c1ccc(Cl)cc1)-c1cccc(c1)N1CCN(CC1)c1ccc(NS(=O)(=O)c2ccc(N[C@H](CCN(C)C)CSc3ccccc3)c(c2)[N+]([O-])=O)cc1
Show InChI InChI=1S/C48H52ClN7O6S2/c1-5-62-48(57)47-46(43(32-53(47)4)34-14-16-36(49)17-15-34)35-10-9-11-40(30-35)55-28-26-54(27-29-55)39-20-18-37(19-21-39)51-64(60,61)42-22-23-44(45(31-42)56(58)59)50-38(24-25-52(2)3)33-63-41-12-7-6-8-13-41/h6-23,30-32,38,50-51H,5,24-29,33H2,1-4H3/t38-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.70n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Binding affinity to N-terminus 8X His-tagged human Bcl-xL expressed in Escherichia coli BL21 (DE3) cells after 2 hrs by fluorescence polarization ass...


J Med Chem 55: 4664-82 (2012)


Article DOI: 10.1021/jm300178u
BindingDB Entry DOI: 10.7270/Q2862HHV
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM50397461
PNG
(CHEMBL2170849)
Show SMILES Cc1c(C(O)=O)c(c(-c2ccc(Cl)cc2)n1C)-c1cccc(c1)N1CCN(CC1)c1ccc(NS(=O)(=O)c2ccc(N[C@H](CCN3CCCC3)CSc3ccccc3)c(c2)S(=O)(=O)C(F)(F)F)cc1
Show InChI InChI=1S/C50H52ClF3N6O6S3/c1-34-46(49(61)62)47(48(57(34)2)35-13-15-37(51)16-14-35)36-9-8-10-41(31-36)60-29-27-59(28-30-60)40-19-17-38(18-20-40)56-69(65,66)43-21-22-44(45(32-43)68(63,64)50(52,53)54)55-39(23-26-58-24-6-7-25-58)33-67-42-11-4-3-5-12-42/h3-5,8-22,31-32,39,55-56H,6-7,23-30,33H2,1-2H3,(H,61,62)/t39-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.80n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Binding affinity to N-terminal 6xHis-tagged human Bcl-2 expressed in Escherichia coli BL21 (DE3) after 2 hrs by fluorescence polarization assay


J Med Chem 55: 8502-14 (2012)


Article DOI: 10.1021/jm3010306
BindingDB Entry DOI: 10.7270/Q2V69KQ9
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM50388982
PNG
(CHEMBL2063882)
Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(CC1)c1cccc(c1)-c1c(cn(CC[C@H](O)CO)c1C(=O)NCCCN1CCN(C)CC1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C58H71ClN10O8S2/c1-63(2)27-23-46(41-78-50-11-5-4-6-12-50)61-53-22-21-51(38-54(53)69(74)75)79(76,77)62-57(72)43-15-19-47(20-16-43)66-33-35-67(36-34-66)48-10-7-9-44(37-48)55-52(42-13-17-45(59)18-14-42)39-68(28-24-49(71)40-70)56(55)58(73)60-25-8-26-65-31-29-64(3)30-32-65/h4-7,9-22,37-39,46,49,61,70-71H,8,23-36,40-41H2,1-3H3,(H,60,73)(H,62,72)/t46-,49+/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
2n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Binding affinity to N-terminus 6X His-tagged human Bcl2 expressed in Escherichia coli BL21 (DE3) cells after 2 hrs by fluorescence polarization assay


J Med Chem 55: 4664-82 (2012)


Article DOI: 10.1021/jm300178u
BindingDB Entry DOI: 10.7270/Q2862HHV
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM50397464
PNG
(CHEMBL2170846)
Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1S(=O)(=O)C(F)(F)F)S(=O)(=O)Nc1ccc(cc1)N1CCN(CC1)c1cccc(c1)-c1c(C(O)=O)c(C)n(C)c1-c1ccc(Cl)cc1
Show InChI InChI=1S/C48H50ClF3N6O6S3/c1-32-44(47(59)60)45(46(56(32)4)33-13-15-35(49)16-14-33)34-9-8-10-39(29-34)58-27-25-57(26-28-58)38-19-17-36(18-20-38)54-67(63,64)41-21-22-42(43(30-41)66(61,62)48(50,51)52)53-37(23-24-55(2)3)31-65-40-11-6-5-7-12-40/h5-22,29-30,37,53-54H,23-28,31H2,1-4H3,(H,59,60)/t37-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.10n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Binding affinity to N-terminal 6xHis-tagged human Bcl-2 expressed in Escherichia coli BL21 (DE3) after 2 hrs by fluorescence polarization assay


J Med Chem 55: 8502-14 (2012)


Article DOI: 10.1021/jm3010306
BindingDB Entry DOI: 10.7270/Q2V69KQ9
More data for this
Ligand-Target Pair
Bromodomain-containing protein 2 Bromo 1 domain(BRD2 BD1)


(Homo sapiens (Human))
BDBM179638
PNG
(US9675697, Cpd. No. 319)
Show SMILES COc1cc2c(cc1-c1c(C)noc1C)[nH]c1nc(C)nc(-c3cc(cc(c3)C(C)(C)C)C(=O)NC3CCN(C)CC3)c21
Show InChI InChI=1S/C34H40N6O3/c1-18-29(19(2)43-39-18)26-16-27-25(17-28(26)42-8)30-31(35-20(3)36-32(30)38-27)21-13-22(15-23(14-21)34(4,5)6)33(41)37-24-9-11-40(7)12-10-24/h13-17,24H,9-12H2,1-8H3,(H,37,41)(H,35,36,38)
GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
2.20 -49.4n/an/an/an/an/an/a25



THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent


Assay Description
Fluorescence Polarization (FP) competitive binding studies (see above) were carried out using the FAM labeled fluorescent probe Cpd. No. 350 to deter...


US Patent US9675697 (2017)


Article DOI: 10.1021/jm970615f
BindingDB Entry DOI: 10.7270/Q2CC0XV6
More data for this
Ligand-Target Pair
Bromodomain-containing protein 3 Bromo 2 domain(BRD3 BD2)


(Homo sapiens (Human))
BDBM179627
PNG
(US9675697, Cpd. No. 213)
Show SMILES COc1cc2c(cc1-c1c(C)noc1C)[nH]c1nc(C)nc(-c3cc([nH]c3C(C)C)C(=O)NC3CCN(CC3)C3COC3)c21
Show InChI InChI=1S/C33H39N7O4/c1-16(2)30-24(12-26(37-30)33(41)36-20-7-9-40(10-8-20)21-14-43-15-21)31-29-22-13-27(42-6)23(28-17(3)39-44-18(28)4)11-25(22)38-32(29)35-19(5)34-31/h11-13,16,20-21,37H,7-10,14-15H2,1-6H3,(H,36,41)(H,34,35,38)
GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
2.20 -49.4n/an/an/an/an/an/a25



THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent


Assay Description
Fluorescence Polarization (FP) competitive binding studies (see above) were carried out using the FAM labeled fluorescent probe Cpd. No. 350 to deter...


US Patent US9675697 (2017)


Article DOI: 10.1021/jm970615f
BindingDB Entry DOI: 10.7270/Q2CC0XV6
More data for this
Ligand-Target Pair
Bromodomain-containing protein 3 Bromo 2 domain(BRD3 BD2)


(Homo sapiens (Human))
BDBM179639
PNG
(US9675697, Cpd. No. 322)
Show SMILES COc1cc2c(cc1-c1c(C)noc1C)[nH]c1nc(C)nc(-c3cc(cc(c3)C(C)(C)C)C(=O)NC3CCN(CC3)C3COC3)c21
Show InChI InChI=1S/C36H42N6O4/c1-19-31(20(2)46-41-19)28-15-29-27(16-30(28)44-7)32-33(37-21(3)38-34(32)40-29)22-12-23(14-24(13-22)36(4,5)6)35(43)39-25-8-10-42(11-9-25)26-17-45-18-26/h12-16,25-26H,8-11,17-18H2,1-7H3,(H,39,43)(H,37,38,40)
GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
2.30 -49.3n/an/an/an/an/an/a25



THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent


Assay Description
Fluorescence Polarization (FP) competitive binding studies (see above) were carried out using the FAM labeled fluorescent probe Cpd. No. 350 to deter...


US Patent US9675697 (2017)


Article DOI: 10.1021/jm970615f
BindingDB Entry DOI: 10.7270/Q2CC0XV6
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM50397458
PNG
(CHEMBL2170835)
Show SMILES Cc1c(C(O)=O)c(c(-c2ccc(Cl)cc2)n1C)-c1cccc(c1)N1CCN(CC1)c1ccc(NS(=O)(=O)c2ccc(N[C@H](CCN3CCC(O)CC3)CSc3ccccc3)c(c2)S(=O)(=O)C(F)(F)F)cc1
Show InChI InChI=1S/C51H54ClF3N6O7S3/c1-34-47(50(63)64)48(49(58(34)2)35-11-13-37(52)14-12-35)36-7-6-8-41(31-36)61-29-27-60(28-30-61)40-17-15-38(16-18-40)57-71(67,68)44-19-20-45(46(32-44)70(65,66)51(53,54)55)56-39(33-69-43-9-4-3-5-10-43)21-24-59-25-22-42(62)23-26-59/h3-20,31-32,39,42,56-57,62H,21-30,33H2,1-2H3,(H,63,64)/t39-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.40n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Binding affinity to N-terminal 6xHis-tagged human Bcl-2 expressed in Escherichia coli BL21 (DE3) after 2 hrs by fluorescence polarization assay


J Med Chem 55: 8502-14 (2012)


Article DOI: 10.1021/jm3010306
BindingDB Entry DOI: 10.7270/Q2V69KQ9
More data for this
Ligand-Target Pair
Bromodomain-containing protein 3 Bromo 2 domain(BRD3 BD2)


(Homo sapiens (Human))
BDBM179481
PNG
(US9675697, Cpd. No. 73)
Show SMILES COc1cc2c(cc1-c1c(C)noc1C)[nH]c1nc(C)nc(-c3ccnc4ccccc34)c21
Show InChI InChI=1S/C26H21N5O2/c1-13-23(14(2)33-31-13)19-11-21-18(12-22(19)32-4)24-25(28-15(3)29-26(24)30-21)17-9-10-27-20-8-6-5-7-16(17)20/h5-12H,1-4H3,(H,28,29,30)
GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
2.60 -49.0n/an/an/an/an/an/a25



THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent


Assay Description
Fluorescence Polarization (FP) competitive binding studies (see above) were carried out using the FAM labeled fluorescent probe Cpd. No. 350 to deter...


US Patent US9675697 (2017)


Article DOI: 10.1021/jm970615f
BindingDB Entry DOI: 10.7270/Q2CC0XV6
More data for this
Ligand-Target Pair
Bromodomain-containing protein 2 Bromo 2 domain(BRD2 BD2)


(Homo sapiens (Human))
BDBM179633
PNG
(US9675697, Cpd. No. 316)
Show SMILES COc1cc2c(cc1-c1c(C)noc1C)[nH]c1nc(C)nc(-c3ccc(NC(=O)N4CCN(C)CC4)c4ccccc34)c21
Show InChI InChI=1S/C33H33N7O3/c1-18-29(19(2)43-38-18)25-16-27-24(17-28(25)42-5)30-31(34-20(3)35-32(30)36-27)23-10-11-26(22-9-7-6-8-21(22)23)37-33(41)40-14-12-39(4)13-15-40/h6-11,16-17H,12-15H2,1-5H3,(H,37,41)(H,34,35,36)
GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
2.60 -49.0n/an/an/an/an/an/a25



THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent


Assay Description
Fluorescence Polarization (FP) competitive binding studies (see above) were carried out using the FAM labeled fluorescent probe Cpd. No. 350 to deter...


US Patent US9675697 (2017)


Article DOI: 10.1021/jm970615f
BindingDB Entry DOI: 10.7270/Q2CC0XV6
More data for this
Ligand-Target Pair
Bromodomain-containing protein 2 Bromo 2 domain(BRD2 BD2)


(Homo sapiens (Human))
BDBM179480
PNG
(US9675697, Cpd. No. 68)
Show SMILES COc1cc2c(cc1-c1c(C)noc1C)[nH]c1nc(C)nc(-c3c(C)[nH]c4ccccc34)c21
Show InChI InChI=1S/C26H23N5O2/c1-12-23(16-8-6-7-9-19(16)27-12)25-24-17-11-21(32-5)18(22-13(2)31-33-14(22)3)10-20(17)30-26(24)29-15(4)28-25/h6-11,27H,1-5H3,(H,28,29,30)
GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
2.70 -48.9n/an/an/an/an/an/a25



THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent


Assay Description
Fluorescence Polarization (FP) competitive binding studies (see above) were carried out using the FAM labeled fluorescent probe Cpd. No. 350 to deter...


US Patent US9675697 (2017)


Article DOI: 10.1021/jm970615f
BindingDB Entry DOI: 10.7270/Q2CC0XV6
More data for this
Ligand-Target Pair
Bromodomain-containing protein 2 Bromo 2 domain(BRD2 BD2)


(Homo sapiens (Human))
BDBM179633
PNG
(US9675697, Cpd. No. 316)
Show SMILES COc1cc2c(cc1-c1c(C)noc1C)[nH]c1nc(C)nc(-c3ccc(NC(=O)N4CCN(C)CC4)c4ccccc34)c21
Show InChI InChI=1S/C33H33N7O3/c1-18-29(19(2)43-38-18)25-16-27-24(17-28(25)42-5)30-31(34-20(3)35-32(30)36-27)23-10-11-26(22-9-7-6-8-21(22)23)37-33(41)40-14-12-39(4)13-15-40/h6-11,16-17H,12-15H2,1-5H3,(H,37,41)(H,34,35,36)
GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
2.90 -48.7n/an/an/an/an/an/a25



THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent


Assay Description
Fluorescence Polarization (FP) competitive binding studies (see above) were carried out using the FAM labeled fluorescent probe Cpd. No. 350 to deter...


US Patent US9675697 (2017)


Article DOI: 10.1021/jm970615f
BindingDB Entry DOI: 10.7270/Q2CC0XV6
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM31202
PNG
(JMC493432 Compound 8 | MI-63)
Show SMILES CC(C)(C)C[C@H]1N[C@H]([C@H](c2cccc(Cl)c2F)[C@@]11C(=O)Nc2cc(Cl)ccc12)C(=O)NCCN1CCOCC1
Show InChI InChI=1S/C29H35Cl2FN4O3/c1-28(2,3)16-22-29(19-8-7-17(30)15-21(19)34-27(29)38)23(18-5-4-6-20(31)24(18)32)25(35-22)26(37)33-9-10-36-11-13-39-14-12-36/h4-8,15,22-23,25,35H,9-14,16H2,1-3H3,(H,33,37)(H,34,38)/t22-,23+,25-,29+/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
3 -48.3n/an/an/an/an/a7.523



University of Michigan



Assay Description
The dose-dependent binding experiments were carried out with serial dilutions of the tested compounds in DMSO. A 5 ul sample of the tested samples an...


J Med Chem 49: 3432-5 (2006)


Article DOI: 10.1021/jm051122a
BindingDB Entry DOI: 10.7270/Q24F1P3B
More data for this
Ligand-Target Pair
Bromodomain-containing protein 3


(Homo sapiens (Human))
BDBM50092310
PNG
(CHEMBL3581661 | US9675697, Cpd. No. 23)
Show SMILES COc1cc2c(cc1-c1c(C)noc1C)[nH]c1ccnc(-c3c(C)[nH]nc3C3CC3)c21
Show InChI InChI=1S/C24H23N5O2/c1-11-21(23(28-27-11)14-5-6-14)24-22-15-10-19(30-4)16(20-12(2)29-31-13(20)3)9-18(15)26-17(22)7-8-25-24/h7-10,14,26H,5-6H2,1-4H3,(H,27,28)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
3.20n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of FAM-labeled ZBA248 from BRD3 BD2 (306 to 417 amino acid residues) (unknown origin) expressed in Rosetta2 DE3 cells after 30 mins by f...


J Med Chem 58: 4927-39 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00613
BindingDB Entry DOI: 10.7270/Q2XD13FK
More data for this
Ligand-Target Pair
Bromodomain-containing protein 2 Bromo 1 domain(BRD2 BD1)


(Homo sapiens (Human))
BDBM179639
PNG
(US9675697, Cpd. No. 322)
Show SMILES COc1cc2c(cc1-c1c(C)noc1C)[nH]c1nc(C)nc(-c3cc(cc(c3)C(C)(C)C)C(=O)NC3CCN(CC3)C3COC3)c21
Show InChI InChI=1S/C36H42N6O4/c1-19-31(20(2)46-41-19)28-15-29-27(16-30(28)44-7)32-33(37-21(3)38-34(32)40-29)22-12-23(14-24(13-22)36(4,5)6)35(43)39-25-8-10-42(11-9-25)26-17-45-18-26/h12-16,25-26H,8-11,17-18H2,1-7H3,(H,39,43)(H,37,38,40)
GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
3.20 -48.5n/an/an/an/an/an/a25



THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent


Assay Description
Fluorescence Polarization (FP) competitive binding studies (see above) were carried out using the FAM labeled fluorescent probe Cpd. No. 350 to deter...


US Patent US9675697 (2017)


Article DOI: 10.1021/jm970615f
BindingDB Entry DOI: 10.7270/Q2CC0XV6
More data for this
Ligand-Target Pair
Bromodomain-containing protein 2 Bromo 1 domain(BRD2 BD1)


(Homo sapiens (Human))
BDBM179480
PNG
(US9675697, Cpd. No. 68)
Show SMILES COc1cc2c(cc1-c1c(C)noc1C)[nH]c1nc(C)nc(-c3c(C)[nH]c4ccccc34)c21
Show InChI InChI=1S/C26H23N5O2/c1-12-23(16-8-6-7-9-19(16)27-12)25-24-17-11-21(32-5)18(22-13(2)31-33-14(22)3)10-20(17)30-26(24)29-15(4)28-25/h6-11,27H,1-5H3,(H,28,29,30)
GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
3.20 -48.5n/an/an/an/an/an/a25



THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent


Assay Description
Fluorescence Polarization (FP) competitive binding studies (see above) were carried out using the FAM labeled fluorescent probe Cpd. No. 350 to deter...


US Patent US9675697 (2017)


Article DOI: 10.1021/jm970615f
BindingDB Entry DOI: 10.7270/Q2CC0XV6
More data for this
Ligand-Target Pair
Bromodomain-containing protein 3 Bromo 2 domain(BRD3 BD2)


(Homo sapiens (Human))
BDBM50092310
PNG
(CHEMBL3581661 | US9675697, Cpd. No. 23)
Show SMILES COc1cc2c(cc1-c1c(C)noc1C)[nH]c1ccnc(-c3c(C)[nH]nc3C3CC3)c21
Show InChI InChI=1S/C24H23N5O2/c1-11-21(23(28-27-11)14-5-6-14)24-22-15-10-19(30-4)16(20-12(2)29-31-13(20)3)9-18(15)26-17(22)7-8-25-24/h7-10,14,26H,5-6H2,1-4H3,(H,27,28)
GoogleScholar
CHEMBL
PC cid
PC sid
PDB
UniChem

Similars

Article
US Patent
3.20 -48.5n/an/an/an/an/an/a25



THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent


Assay Description
Fluorescence Polarization (FP) competitive binding studies (see above) were carried out using the FAM labeled fluorescent probe Cpd. No. 350 to deter...


US Patent US9675697 (2017)


Article DOI: 10.1021/jm970615f
BindingDB Entry DOI: 10.7270/Q2CC0XV6
More data for this
Ligand-Target Pair
Bromodomain-containing protein 2 Bromo 2 domain(BRD2 BD2)


(Homo sapiens (Human))
BDBM179490
PNG
(US9675697, Cpd. No. 196)
Show SMILES COc1cc2c(cc1-c1c(C)noc1C)[nH]c1nc(C)nc(-c3ccc(C(=O)NC4CCN(C)CC4)c4ccccc34)c21
Show InChI InChI=1S/C34H34N6O3/c1-18-30(19(2)43-39-18)27-16-28-26(17-29(27)42-5)31-32(35-20(3)36-33(31)38-28)24-10-11-25(23-9-7-6-8-22(23)24)34(41)37-21-12-14-40(4)15-13-21/h6-11,16-17,21H,12-15H2,1-5H3,(H,37,41)(H,35,36,38)
GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
3.5 -48.3n/an/an/an/an/an/a25



THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent


Assay Description
Fluorescence Polarization (FP) competitive binding studies (see above) were carried out using the FAM labeled fluorescent probe Cpd. No. 350 to deter...


US Patent US9675697 (2017)


Article DOI: 10.1021/jm970615f
BindingDB Entry DOI: 10.7270/Q2CC0XV6
More data for this
Ligand-Target Pair
Bromodomain-containing protein 3 Bromo 2 domain(BRD3 BD2)


(Homo sapiens (Human))
BDBM179637
PNG
(US9675697, Cpd. No. 317)
Show SMILES COc1cc2c(cc1-c1c(C)noc1C)[nH]c1nc(C)nc(-c3ccc(NC(=O)N4CCN(CC4)C4COC4)c4ccccc34)c21
Show InChI InChI=1S/C35H35N7O4/c1-19-31(20(2)46-40-19)27-15-29-26(16-30(27)44-4)32-33(36-21(3)37-34(32)38-29)25-9-10-28(24-8-6-5-7-23(24)25)39-35(43)42-13-11-41(12-14-42)22-17-45-18-22/h5-10,15-16,22H,11-14,17-18H2,1-4H3,(H,39,43)(H,36,37,38)
GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
3.5 -48.3n/an/an/an/an/an/a25



THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent


Assay Description
Fluorescence Polarization (FP) competitive binding studies (see above) were carried out using the FAM labeled fluorescent probe Cpd. No. 350 to deter...


US Patent US9675697 (2017)


Article DOI: 10.1021/jm970615f
BindingDB Entry DOI: 10.7270/Q2CC0XV6
More data for this
Ligand-Target Pair
Bromodomain-containing protein 2 Bromo 2 domain(BRD2 BD2)


(Homo sapiens (Human))
BDBM179491
PNG
(US9675697, Cpd. No. 197)
Show SMILES COc1cc2c(cc1-c1c(C)noc1C)[nH]c1nc(C)nc(-c3ccc(C(=O)NC4CCN(CC4)C4COC4)c4ccccc34)c21
Show InChI InChI=1S/C36H36N6O4/c1-19-32(20(2)46-41-19)29-15-30-28(16-31(29)44-4)33-34(37-21(3)38-35(33)40-30)26-9-10-27(25-8-6-5-7-24(25)26)36(43)39-22-11-13-42(14-12-22)23-17-45-18-23/h5-10,15-16,22-23H,11-14,17-18H2,1-4H3,(H,39,43)(H,37,38,40)
GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
3.60 -48.2n/an/an/an/an/an/a25



THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent


Assay Description
Fluorescence Polarization (FP) competitive binding studies (see above) were carried out using the FAM labeled fluorescent probe Cpd. No. 350 to deter...


US Patent US9675697 (2017)


Article DOI: 10.1021/jm970615f
BindingDB Entry DOI: 10.7270/Q2CC0XV6
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM50397460
PNG
(CHEMBL2170850)
Show SMILES Cc1c(C(O)=O)c(c(-c2ccc(Cl)cc2)n1C)-c1cccc(c1)N1CCN(CC1)c1ccc(NS(=O)(=O)c2ccc(N[C@H](CCN3CCCCC3)CSc3ccccc3)c(c2)S(=O)(=O)C(F)(F)F)cc1
Show InChI InChI=1S/C51H54ClF3N6O6S3/c1-35-47(50(62)63)48(49(58(35)2)36-14-16-38(52)17-15-36)37-10-9-11-42(32-37)61-30-28-60(29-31-61)41-20-18-39(19-21-41)57-70(66,67)44-22-23-45(46(33-44)69(64,65)51(53,54)55)56-40(24-27-59-25-7-4-8-26-59)34-68-43-12-5-3-6-13-43/h3,5-6,9-23,32-33,40,56-57H,4,7-8,24-31,34H2,1-2H3,(H,62,63)/t40-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
3.80n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Binding affinity to N-terminal 6xHis-tagged human Bcl-2 expressed in Escherichia coli BL21 (DE3) after 2 hrs by fluorescence polarization assay


J Med Chem 55: 8502-14 (2012)


Article DOI: 10.1021/jm3010306
BindingDB Entry DOI: 10.7270/Q2V69KQ9
More data for this
Ligand-Target Pair
Bromodomain-containing protein 3


(Homo sapiens (Human))
BDBM50092312
PNG
(BIRABRESIB | Birabresib | MK-8628 | OTX-015)
Show SMILES Cc1sc-2c(c1C)C(=N[C@@H](CC(=O)Nc1ccc(O)cc1)c1nnc(C)n-21)c1ccc(Cl)cc1
Show InChI InChI=1S/C25H22ClN5O2S/c1-13-14(2)34-25-22(13)23(16-4-6-17(26)7-5-16)28-20(24-30-29-15(3)31(24)25)12-21(33)27-18-8-10-19(32)11-9-18/h4-11,20,32H,12H2,1-3H3,(H,27,33)/t20-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

Article
PubMed
4n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of FAM-labeled ZBA248 from BRD3 BD2 (306 to 417 amino acid residues) (unknown origin) expressed in Rosetta2 DE3 cells after 30 mins by f...


J Med Chem 58: 4927-39 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00613
BindingDB Entry DOI: 10.7270/Q2XD13FK
More data for this
Ligand-Target Pair
Bromodomain-containing protein 2 Bromo 2 domain(BRD2 BD2)


(Homo sapiens (Human))
BDBM179492
PNG
(US9675697, Cpd. No. 207)
Show SMILES COc1cc2c(cc1-c1c(C)noc1C)[nH]c1nc(C)nc(-c3ccc(C(=O)N4CCN(C)CC4)c4ccccc34)c21
Show InChI InChI=1S/C33H32N6O3/c1-18-29(19(2)42-37-18)26-16-27-25(17-28(26)41-5)30-31(34-20(3)35-32(30)36-27)23-10-11-24(22-9-7-6-8-21(22)23)33(40)39-14-12-38(4)13-15-39/h6-11,16-17H,12-15H2,1-5H3,(H,34,35,36)
GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
4.10 -47.9n/an/an/an/an/an/a25



THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent


Assay Description
Fluorescence Polarization (FP) competitive binding studies (see above) were carried out using the FAM labeled fluorescent probe Cpd. No. 350 to deter...


US Patent US9675697 (2017)


Article DOI: 10.1021/jm970615f
BindingDB Entry DOI: 10.7270/Q2CC0XV6
More data for this
Ligand-Target Pair
Bromodomain-containing protein 3


(Homo sapiens (Human))
BDBM50092341
PNG
(CHEMBL3581660 | US9675697, Cpd. No. 22)
Show SMILES CCc1n[nH]c(CC)c1-c1nccc2[nH]c3cc(-c4c(C)noc4C)c(OC)cc3c12
Show InChI InChI=1S/C24H25N5O2/c1-6-16-23(17(7-2)28-27-16)24-22-14-11-20(30-5)15(21-12(3)29-31-13(21)4)10-19(14)26-18(22)8-9-25-24/h8-11,26H,6-7H2,1-5H3,(H,27,28)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
4.20n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of FAM-labeled ZBA248 from BRD3 BD2 (306 to 417 amino acid residues) (unknown origin) expressed in Rosetta2 DE3 cells after 30 mins by f...


J Med Chem 58: 4927-39 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00613
BindingDB Entry DOI: 10.7270/Q2XD13FK
More data for this
Ligand-Target Pair
Bromodomain-containing protein 3 Bromo 2 domain(BRD3 BD2)


(Homo sapiens (Human))
BDBM50092341
PNG
(CHEMBL3581660 | US9675697, Cpd. No. 22)
Show SMILES CCc1n[nH]c(CC)c1-c1nccc2[nH]c3cc(-c4c(C)noc4C)c(OC)cc3c12
Show InChI InChI=1S/C24H25N5O2/c1-6-16-23(17(7-2)28-27-16)24-22-14-11-20(30-5)15(21-12(3)29-31-13(21)4)10-19(14)26-18(22)8-9-25-24/h8-11,26H,6-7H2,1-5H3,(H,27,28)
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
US Patent
4.20 -47.8n/an/an/an/an/an/a25



THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent


Assay Description
Fluorescence Polarization (FP) competitive binding studies (see above) were carried out using the FAM labeled fluorescent probe Cpd. No. 350 to deter...


US Patent US9675697 (2017)


Article DOI: 10.1021/jm970615f
BindingDB Entry DOI: 10.7270/Q2CC0XV6
More data for this
Ligand-Target Pair
Bromodomain-containing protein 2 Bromo 1 domain(BRD2 BD1)


(Homo sapiens (Human))
BDBM179490
PNG
(US9675697, Cpd. No. 196)
Show SMILES COc1cc2c(cc1-c1c(C)noc1C)[nH]c1nc(C)nc(-c3ccc(C(=O)NC4CCN(C)CC4)c4ccccc34)c21
Show InChI InChI=1S/C34H34N6O3/c1-18-30(19(2)43-39-18)27-16-28-26(17-29(27)42-5)31-32(35-20(3)36-33(31)38-28)24-10-11-25(23-9-7-6-8-22(23)24)34(41)37-21-12-14-40(4)15-13-21/h6-11,16-17,21H,12-15H2,1-5H3,(H,37,41)(H,35,36,38)
GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
4.30 -47.8n/an/an/an/an/an/a25



THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent


Assay Description
Fluorescence Polarization (FP) competitive binding studies (see above) were carried out using the FAM labeled fluorescent probe Cpd. No. 350 to deter...


US Patent US9675697 (2017)


Article DOI: 10.1021/jm970615f
BindingDB Entry DOI: 10.7270/Q2CC0XV6
More data for this
Ligand-Target Pair
Bromodomain-containing protein 2 Bromo 2 domain(BRD2 BD2)


(Homo sapiens (Human))
BDBM179574
PNG
(US9675697, Cpd. No. 212)
Show SMILES COc1cc2c(cc1-c1c(C)noc1C)[nH]c1nc(C)nc(-c3cc([nH]c3C(C)C)C(=O)NC3CCN(CC3)C3CCOCC3)c21
Show InChI InChI=1S/C35H43N7O4/c1-18(2)32-26(16-28(39-32)35(43)38-22-7-11-42(12-8-22)23-9-13-45-14-10-23)33-31-24-17-29(44-6)25(30-19(3)41-46-20(30)4)15-27(24)40-34(31)37-21(5)36-33/h15-18,22-23,39H,7-14H2,1-6H3,(H,38,43)(H,36,37,40)
GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
4.5 -47.6n/an/an/an/an/an/a25



THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent


Assay Description
Fluorescence Polarization (FP) competitive binding studies (see above) were carried out using the FAM labeled fluorescent probe Cpd. No. 350 to deter...


US Patent US9675697 (2017)


Article DOI: 10.1021/jm970615f
BindingDB Entry DOI: 10.7270/Q2CC0XV6
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-2


(Homo sapiens (Human))
BDBM50397457
PNG
(CHEMBL2170836)
Show SMILES Cc1c(C(O)=O)c(c(-c2ccc(Cl)cc2)n1C)-c1cccc(c1)N1CCN(CC1)c1ccc(NS(=O)(=O)c2ccc(N[C@H](CCN3CCC(C)(O)CC3)CSc3ccccc3)c(c2)S(=O)(=O)C(F)(F)F)cc1
Show InChI InChI=1S/C52H56ClF3N6O7S3/c1-35-47(50(63)64)48(49(59(35)3)36-12-14-38(53)15-13-36)37-8-7-9-42(32-37)62-30-28-61(29-31-62)41-18-16-39(17-19-41)58-72(68,69)44-20-21-45(46(33-44)71(66,67)52(54,55)56)57-40(34-70-43-10-5-4-6-11-43)22-25-60-26-23-51(2,65)24-27-60/h4-21,32-33,40,57-58,65H,22-31,34H2,1-3H3,(H,63,64)/t40-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
4.60n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Binding affinity to N-terminal 6xHis-tagged human Bcl-2 expressed in Escherichia coli BL21 (DE3) after 2 hrs by fluorescence polarization assay


J Med Chem 55: 8502-14 (2012)


Article DOI: 10.1021/jm3010306
BindingDB Entry DOI: 10.7270/Q2V69KQ9
More data for this
Ligand-Target Pair
Bromodomain-containing protein 2 Bromo 2 domain(BRD2 BD2)


(Homo sapiens (Human))
BDBM179574
PNG
(US9675697, Cpd. No. 212)
Show SMILES COc1cc2c(cc1-c1c(C)noc1C)[nH]c1nc(C)nc(-c3cc([nH]c3C(C)C)C(=O)NC3CCN(CC3)C3CCOCC3)c21
Show InChI InChI=1S/C35H43N7O4/c1-18(2)32-26(16-28(39-32)35(43)38-22-7-11-42(12-8-22)23-9-13-45-14-10-23)33-31-24-17-29(44-6)25(30-19(3)41-46-20(30)4)15-27(24)40-34(31)37-21(5)36-33/h15-18,22-23,39H,7-14H2,1-6H3,(H,38,43)(H,36,37,40)
GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
4.60 -47.6n/an/an/an/an/an/a25



THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent


Assay Description
Fluorescence Polarization (FP) competitive binding studies (see above) were carried out using the FAM labeled fluorescent probe Cpd. No. 350 to deter...


US Patent US9675697 (2017)


Article DOI: 10.1021/jm970615f
BindingDB Entry DOI: 10.7270/Q2CC0XV6
More data for this
Ligand-Target Pair
Bromodomain-containing protein 2 Bromo 1 domain(BRD2 BD1)


(Homo sapiens (Human))
BDBM179633
PNG
(US9675697, Cpd. No. 316)
Show SMILES COc1cc2c(cc1-c1c(C)noc1C)[nH]c1nc(C)nc(-c3ccc(NC(=O)N4CCN(C)CC4)c4ccccc34)c21
Show InChI InChI=1S/C33H33N7O3/c1-18-29(19(2)43-38-18)25-16-27-24(17-28(25)42-5)30-31(34-20(3)35-32(30)36-27)23-10-11-26(22-9-7-6-8-21(22)23)37-33(41)40-14-12-39(4)13-15-40/h6-11,16-17H,12-15H2,1-5H3,(H,37,41)(H,34,35,36)
GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
4.60 -47.6n/an/an/an/an/an/a25



THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent


Assay Description
Fluorescence Polarization (FP) competitive binding studies (see above) were carried out using the FAM labeled fluorescent probe Cpd. No. 350 to deter...


US Patent US9675697 (2017)


Article DOI: 10.1021/jm970615f
BindingDB Entry DOI: 10.7270/Q2CC0XV6
More data for this
Ligand-Target Pair
Bromodomain-containing protein 3 Bromo 2 domain(BRD3 BD2)


(Homo sapiens (Human))
BDBM179485
PNG
(US9675697, Cpd. No. 183)
Show SMILES COc1cc2c(cc1-c1c(C)noc1C)[nH]c1nc(C)nc(-c3cccc(c3)C(C)(C)O)c21
Show InChI InChI=1S/C26H26N4O3/c1-13-22(14(2)33-30-13)19-11-20-18(12-21(19)32-6)23-24(27-15(3)28-25(23)29-20)16-8-7-9-17(10-16)26(4,5)31/h7-12,31H,1-6H3,(H,27,28,29)
GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
4.70 -47.5n/an/an/an/an/an/a25



THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent


Assay Description
Fluorescence Polarization (FP) competitive binding studies (see above) were carried out using the FAM labeled fluorescent probe Cpd. No. 350 to deter...


US Patent US9675697 (2017)


Article DOI: 10.1021/jm970615f
BindingDB Entry DOI: 10.7270/Q2CC0XV6
More data for this
Ligand-Target Pair
Bromodomain-containing protein 2 Bromo 2 domain(BRD2 BD2)


(Homo sapiens (Human))
BDBM179493
PNG
(US9675697, Cpd. No. 211)
Show SMILES COc1cc2c(cc1-c1c(C)noc1C)[nH]c1nc(C)nc(-c3cc([nH]c3C(C)C)C(=O)NC3CCN(C)CC3)c21
Show InChI InChI=1S/C31H37N7O3/c1-15(2)28-22(13-24(35-28)31(39)34-19-8-10-38(6)11-9-19)29-27-20-14-25(40-7)21(26-16(3)37-41-17(26)4)12-23(20)36-30(27)33-18(5)32-29/h12-15,19,35H,8-11H2,1-7H3,(H,34,39)(H,32,33,36)
GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
4.90 -47.4n/an/an/an/an/an/a25



THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent


Assay Description
Fluorescence Polarization (FP) competitive binding studies (see above) were carried out using the FAM labeled fluorescent probe Cpd. No. 350 to deter...


US Patent US9675697 (2017)


Article DOI: 10.1021/jm970615f
BindingDB Entry DOI: 10.7270/Q2CC0XV6
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 1151 total )  |  Next  |  Last  >>
Jump to: