Found 58 hits of Enzyme Inhibition Constant Data Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kJ/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
Apoptosis regulator Bcl-2
(Homo sapiens (Human)) | BDBM50427830
(CHEMBL2325766)Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)Nc1ccc(cc1)N1CCN(CC1)c1cccc(c1)-c1c(C(=O)NS(C)(=O)=O)c(C)n(C)c1-c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C48H53ClN8O7S3/c1-33-45(48(58)52-66(5,61)62)46(47(54(33)4)34-14-16-36(49)17-15-34)35-10-9-11-40(30-35)56-28-26-55(27-29-56)39-20-18-37(19-21-39)51-67(63,64)42-22-23-43(44(31-42)57(59)60)50-38(24-25-53(2)3)32-65-41-12-7-6-8-13-41/h6-23,30-31,38,50-51H,24-29,32H2,1-5H3,(H,52,58)/t38-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.900 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan
Curated by ChEMBL
| Assay Description
Binding affinity to BCL2 (unknown origin) after 2 hrs by fluorescence polarization assay |
J Med Chem 56: 3048-67 (2013)
Article DOI: 10.1021/jm4001105
BindingDB Entry DOI: 10.7270/Q2H41SSV |
More data for this
Ligand-Target Pair | |
Apoptosis regulator Bcl-2
(Homo sapiens (Human)) | BDBM50427826
(CHEMBL2325770)Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)Nc1ccc(cc1)N1CCN(CC1)c1cccc(c1)-c1c(C(O)=O)c(n(C)c1-c1ccc(Cl)cc1)C(F)(F)F |r| Show InChI InChI=1S/C47H47ClF3N7O6S2/c1-54(2)23-22-35(30-65-38-10-5-4-6-11-38)52-40-21-20-39(29-41(40)58(61)62)66(63,64)53-34-16-18-36(19-17-34)56-24-26-57(27-25-56)37-9-7-8-32(28-37)42-43(46(59)60)45(47(49,50)51)55(3)44(42)31-12-14-33(48)15-13-31/h4-21,28-29,35,52-53H,22-27,30H2,1-3H3,(H,59,60)/t35-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.10 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan
Curated by ChEMBL
| Assay Description
Binding affinity to BCL2 (unknown origin) after 2 hrs by fluorescence polarization assay |
J Med Chem 56: 3048-67 (2013)
Article DOI: 10.1021/jm4001105
BindingDB Entry DOI: 10.7270/Q2H41SSV |
More data for this
Ligand-Target Pair | |
Apoptosis regulator Bcl-2
(Homo sapiens (Human)) | BDBM50393833
(CHEMBL2159737)Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)Nc1ccc(cc1)N1CCN(CC1)c1cccc(c1)-c1c(C(O)=O)c(C)n(C)c1-c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C47H50ClN7O6S2/c1-32-44(47(56)57)45(46(52(32)4)33-13-15-35(48)16-14-33)34-9-8-10-39(29-34)54-27-25-53(26-28-54)38-19-17-36(18-20-38)50-63(60,61)41-21-22-42(43(30-41)55(58)59)49-37(23-24-51(2)3)31-62-40-11-6-5-7-12-40/h5-22,29-30,37,49-50H,23-28,31H2,1-4H3,(H,56,57)/t37-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.30 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan
Curated by ChEMBL
| Assay Description
Binding affinity to BCL2 (unknown origin) after 2 hrs by fluorescence polarization assay |
J Med Chem 56: 3048-67 (2013)
Article DOI: 10.1021/jm4001105
BindingDB Entry DOI: 10.7270/Q2H41SSV |
More data for this
Ligand-Target Pair | |
Apoptosis regulator Bcl-2
(Homo sapiens (Human)) | BDBM50393831
(CHEMBL2159740)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](CCN(C)C)CSc3ccccc3)c(c2)[N+]([O-])=O)cc1 |r| Show InChI InChI=1S/C49H54ClN7O6S2/c1-33(2)56-34(3)46(49(58)59)47(48(56)35-14-16-37(50)17-15-35)36-10-9-11-41(30-36)55-28-26-54(27-29-55)40-20-18-38(19-21-40)52-65(62,63)43-22-23-44(45(31-43)57(60)61)51-39(24-25-53(4)5)32-64-42-12-7-6-8-13-42/h6-23,30-31,33,39,51-52H,24-29,32H2,1-5H3,(H,58,59)/t39-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.40 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan
Curated by ChEMBL
| Assay Description
Binding affinity to BCL2 (unknown origin) after 2 hrs by fluorescence polarization assay |
J Med Chem 56: 3048-67 (2013)
Article DOI: 10.1021/jm4001105
BindingDB Entry DOI: 10.7270/Q2H41SSV |
More data for this
Ligand-Target Pair | |
Apoptosis regulator Bcl-2
(Homo sapiens (Human)) | BDBM50427825
(CHEMBL2325771)Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)Nc1ccc(cc1)N1CCN(CC1)c1cccc(c1)-c1c(C(O)=O)c(Cl)n(C)c1-c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C46H47Cl2N7O6S2/c1-51(2)23-22-35(30-62-38-10-5-4-6-11-38)49-40-21-20-39(29-41(40)55(58)59)63(60,61)50-34-16-18-36(19-17-34)53-24-26-54(27-25-53)37-9-7-8-32(28-37)42-43(46(56)57)45(48)52(3)44(42)31-12-14-33(47)15-13-31/h4-21,28-29,35,49-50H,22-27,30H2,1-3H3,(H,56,57)/t35-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan
Curated by ChEMBL
| Assay Description
Binding affinity to BCL2 (unknown origin) after 2 hrs by fluorescence polarization assay |
J Med Chem 56: 3048-67 (2013)
Article DOI: 10.1021/jm4001105
BindingDB Entry DOI: 10.7270/Q2H41SSV |
More data for this
Ligand-Target Pair | |
Apoptosis regulator Bcl-2
(Homo sapiens (Human)) | BDBM50427812
(BM-1075 | CHEMBL2325763)Show SMILES CCn1c(C)c(C(=O)NS(C)(=O)=O)c(c1-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 |r| Show InChI InChI=1S/C49H55ClN8O7S3/c1-6-57-34(2)46(49(59)53-67(5,62)63)47(48(57)35-15-17-37(50)18-16-35)36-11-10-12-41(31-36)56-29-27-55(28-30-56)40-21-19-38(20-22-40)52-68(64,65)43-23-24-44(45(32-43)58(60)61)51-39(25-26-54(3)4)33-66-42-13-8-7-9-14-42/h7-24,31-32,39,51-52H,6,25-30,33H2,1-5H3,(H,53,59)/t39-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.80 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan
Curated by ChEMBL
| Assay Description
Binding affinity to BCL2 (unknown origin) after 2 hrs by fluorescence polarization assay |
J Med Chem 56: 3048-67 (2013)
Article DOI: 10.1021/jm4001105
BindingDB Entry DOI: 10.7270/Q2H41SSV |
More data for this
Ligand-Target Pair | |
Apoptosis regulator Bcl-2
(Homo sapiens (Human)) | BDBM50427811
(BM-1074 | CHEMBL2325764)Show SMILES CC(C)n1c(C)c(C(=O)NS(C)(=O)=O)c(c1-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 |r| Show InChI InChI=1S/C50H57ClN8O7S3/c1-34(2)58-35(3)47(50(60)54-68(6,63)64)48(49(58)36-15-17-38(51)18-16-36)37-11-10-12-42(31-37)57-29-27-56(28-30-57)41-21-19-39(20-22-41)53-69(65,66)44-23-24-45(46(32-44)59(61)62)52-40(25-26-55(4)5)33-67-43-13-8-7-9-14-43/h7-24,31-32,34,40,52-53H,25-30,33H2,1-6H3,(H,54,60)/t40-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.80 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan
Curated by ChEMBL
| Assay Description
Binding affinity to BCL2 (unknown origin) after 2 hrs by fluorescence polarization assay |
J Med Chem 56: 3048-67 (2013)
Article DOI: 10.1021/jm4001105
BindingDB Entry DOI: 10.7270/Q2H41SSV |
More data for this
Ligand-Target Pair | |
Apoptosis regulator Bcl-2
(Homo sapiens (Human)) | BDBM50393832
(CHEMBL2159739)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](CCN(C)C)CSc3ccccc3)c(c2)[N+]([O-])=O)cc1 |r| Show InChI InChI=1S/C48H52ClN7O6S2/c1-5-55-33(2)45(48(57)58)46(47(55)34-14-16-36(49)17-15-34)35-10-9-11-40(30-35)54-28-26-53(27-29-54)39-20-18-37(19-21-39)51-64(61,62)42-22-23-43(44(31-42)56(59)60)50-38(24-25-52(3)4)32-63-41-12-7-6-8-13-41/h6-23,30-31,38,50-51H,5,24-29,32H2,1-4H3,(H,57,58)/t38-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan
Curated by ChEMBL
| Assay Description
Binding affinity to BCL2 (unknown origin) after 2 hrs by fluorescence polarization assay |
J Med Chem 56: 3048-67 (2013)
Article DOI: 10.1021/jm4001105
BindingDB Entry DOI: 10.7270/Q2H41SSV |
More data for this
Ligand-Target Pair | |
Apoptosis regulator Bcl-2
(Homo sapiens (Human)) | BDBM50427816
(CHEMBL2325759)Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)Nc1ccc(cc1)N1CCN(CC1)c1cccc(c1)-c1c(nn(C)c1C(O)=O)-c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C45H47ClN8O6S2/c1-50(2)23-22-35(30-61-38-10-5-4-6-11-38)47-40-21-20-39(29-41(40)54(57)58)62(59,60)49-34-16-18-36(19-17-34)52-24-26-53(27-25-52)37-9-7-8-32(28-37)42-43(31-12-14-33(46)15-13-31)48-51(3)44(42)45(55)56/h4-21,28-29,35,47,49H,22-27,30H2,1-3H3,(H,55,56)/t35-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.70 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan
Curated by ChEMBL
| Assay Description
Binding affinity to BCL2 (unknown origin) after 2 hrs by fluorescence polarization assay |
J Med Chem 56: 3048-67 (2013)
Article DOI: 10.1021/jm4001105
BindingDB Entry DOI: 10.7270/Q2H41SSV |
More data for this
Ligand-Target Pair | |
Apoptosis regulator Bcl-2
(Homo sapiens (Human)) | BDBM50427815
(CHEMBL2325760)Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)Nc1ccc(cc1)N1CCN(CC1)c1cccc(c1)-c1c(oc(C)c1C(O)=O)-c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C46H47ClN6O7S2/c1-31-43(46(54)55)44(45(60-31)32-12-14-34(47)15-13-32)33-8-7-9-38(28-33)52-26-24-51(25-27-52)37-18-16-35(17-19-37)49-62(58,59)40-20-21-41(42(29-40)53(56)57)48-36(22-23-50(2)3)30-61-39-10-5-4-6-11-39/h4-21,28-29,36,48-49H,22-27,30H2,1-3H3,(H,54,55)/t36-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.80 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan
Curated by ChEMBL
| Assay Description
Binding affinity to BCL2 (unknown origin) after 2 hrs by fluorescence polarization assay |
J Med Chem 56: 3048-67 (2013)
Article DOI: 10.1021/jm4001105
BindingDB Entry DOI: 10.7270/Q2H41SSV |
More data for this
Ligand-Target Pair | |
Apoptosis regulator Bcl-2
(Homo sapiens (Human)) | BDBM50427819
(CHEMBL2326039)Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)Nc1ccc(cc1)N1CCN(CC1)c1cccc(c1)-c1c(ncn1-c1ccc(Cl)cc1)C(=O)NS(C)(=O)=O |r| Show InChI InChI=1S/C45H48ClN9O7S3/c1-51(2)23-22-35(30-63-39-10-5-4-6-11-39)48-41-21-20-40(29-42(41)55(57)58)65(61,62)49-34-14-18-36(19-15-34)52-24-26-53(27-25-52)38-9-7-8-32(28-38)44-43(45(56)50-64(3,59)60)47-31-54(44)37-16-12-33(46)13-17-37/h4-21,28-29,31,35,48-49H,22-27,30H2,1-3H3,(H,50,56)/t35-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.80 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan
Curated by ChEMBL
| Assay Description
Binding affinity to BCL2 (unknown origin) after 2 hrs by fluorescence polarization assay |
J Med Chem 56: 3048-67 (2013)
Article DOI: 10.1021/jm4001105
BindingDB Entry DOI: 10.7270/Q2H41SSV |
More data for this
Ligand-Target Pair | |
Bcl-2-like protein 1
(Homo sapiens (Human)) | BDBM50427827
(CHEMBL2325769)Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)Nc1ccc(cc1)N1CCN(CC1)c1cccc(c1)-c1c(C#N)c(C)n(C)c1-c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C47H49ClN8O4S2/c1-33-43(31-49)46(47(53(33)4)34-13-15-36(48)16-14-34)35-9-8-10-40(29-35)55-27-25-54(26-28-55)39-19-17-37(18-20-39)51-62(59,60)42-21-22-44(45(30-42)56(57)58)50-38(23-24-52(2)3)32-61-41-11-6-5-7-12-41/h5-22,29-30,38,50-51H,23-28,32H2,1-4H3/t38-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan
Curated by ChEMBL
| Assay Description
Binding affinity to BCL-XL (unknown origin) after 2 hrs by fluorescence polarization assay |
J Med Chem 56: 3048-67 (2013)
Article DOI: 10.1021/jm4001105
BindingDB Entry DOI: 10.7270/Q2H41SSV |
More data for this
Ligand-Target Pair | |
Bcl-2-like protein 1
(Homo sapiens (Human)) | BDBM50427815
(CHEMBL2325760)Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)Nc1ccc(cc1)N1CCN(CC1)c1cccc(c1)-c1c(oc(C)c1C(O)=O)-c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C46H47ClN6O7S2/c1-31-43(46(54)55)44(45(60-31)32-12-14-34(47)15-13-32)33-8-7-9-38(28-33)52-26-24-51(25-27-52)37-18-16-35(17-19-37)49-62(58,59)40-20-21-41(42(29-40)53(56)57)48-36(22-23-50(2)3)30-61-39-10-5-4-6-11-39/h4-21,28-29,36,48-49H,22-27,30H2,1-3H3,(H,54,55)/t36-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 4.70 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan
Curated by ChEMBL
| Assay Description
Binding affinity to BCL-XL (unknown origin) after 2 hrs by fluorescence polarization assay |
J Med Chem 56: 3048-67 (2013)
Article DOI: 10.1021/jm4001105
BindingDB Entry DOI: 10.7270/Q2H41SSV |
More data for this
Ligand-Target Pair | |
Bcl-2-like protein 1
(Homo sapiens (Human)) | BDBM50427825
(CHEMBL2325771)Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)Nc1ccc(cc1)N1CCN(CC1)c1cccc(c1)-c1c(C(O)=O)c(Cl)n(C)c1-c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C46H47Cl2N7O6S2/c1-51(2)23-22-35(30-62-38-10-5-4-6-11-38)49-40-21-20-39(29-41(40)55(58)59)63(60,61)50-34-16-18-36(19-17-34)53-24-26-54(27-25-53)37-9-7-8-32(28-37)42-43(46(56)57)45(48)52(3)44(42)31-12-14-33(47)15-13-31/h4-21,28-29,35,49-50H,22-27,30H2,1-3H3,(H,56,57)/t35-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.70 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan
Curated by ChEMBL
| Assay Description
Binding affinity to BCL-XL (unknown origin) after 2 hrs by fluorescence polarization assay |
J Med Chem 56: 3048-67 (2013)
Article DOI: 10.1021/jm4001105
BindingDB Entry DOI: 10.7270/Q2H41SSV |
More data for this
Ligand-Target Pair | |
Bcl-2-like protein 1
(Homo sapiens (Human)) | BDBM50393831
(CHEMBL2159740)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](CCN(C)C)CSc3ccccc3)c(c2)[N+]([O-])=O)cc1 |r| Show InChI InChI=1S/C49H54ClN7O6S2/c1-33(2)56-34(3)46(49(58)59)47(48(56)35-14-16-37(50)17-15-35)36-10-9-11-41(30-36)55-28-26-54(27-29-55)40-20-18-38(19-21-40)52-65(62,63)43-22-23-44(45(31-43)57(60)61)51-39(24-25-53(4)5)32-64-42-12-7-6-8-13-42/h6-23,30-31,33,39,51-52H,24-29,32H2,1-5H3,(H,58,59)/t39-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.80 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan
Curated by ChEMBL
| Assay Description
Binding affinity to BCL-XL (unknown origin) after 2 hrs by fluorescence polarization assay |
J Med Chem 56: 3048-67 (2013)
Article DOI: 10.1021/jm4001105
BindingDB Entry DOI: 10.7270/Q2H41SSV |
More data for this
Ligand-Target Pair | |
Apoptosis regulator Bcl-2
(Homo sapiens (Human)) | BDBM50393837
(CHEMBL2159736)Show SMILES CNC(=O)c1c(C)n(C)c(c1-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 |r| Show InChI InChI=1S/C48H53ClN8O5S2/c1-33-45(48(58)50-2)46(47(54(33)5)34-14-16-36(49)17-15-34)35-10-9-11-40(30-35)56-28-26-55(27-29-56)39-20-18-37(19-21-39)52-64(61,62)42-22-23-43(44(31-42)57(59)60)51-38(24-25-53(3)4)32-63-41-12-7-6-8-13-41/h6-23,30-31,38,51-52H,24-29,32H2,1-5H3,(H,50,58)/t38-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan
Curated by ChEMBL
| Assay Description
Binding affinity to BCL2 (unknown origin) after 2 hrs by fluorescence polarization assay |
J Med Chem 56: 3048-67 (2013)
Article DOI: 10.1021/jm4001105
BindingDB Entry DOI: 10.7270/Q2H41SSV |
More data for this
Ligand-Target Pair | |
Bcl-2-like protein 1
(Homo sapiens (Human)) | BDBM50427830
(CHEMBL2325766)Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)Nc1ccc(cc1)N1CCN(CC1)c1cccc(c1)-c1c(C(=O)NS(C)(=O)=O)c(C)n(C)c1-c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C48H53ClN8O7S3/c1-33-45(48(58)52-66(5,61)62)46(47(54(33)4)34-14-16-36(49)17-15-34)35-10-9-11-40(30-35)56-28-26-55(27-29-56)39-20-18-37(19-21-39)51-67(63,64)42-22-23-43(44(31-42)57(59)60)50-38(24-25-53(2)3)32-65-41-12-7-6-8-13-41/h6-23,30-31,38,50-51H,24-29,32H2,1-5H3,(H,52,58)/t38-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan
Curated by ChEMBL
| Assay Description
Binding affinity to BCL-XL (unknown origin) after 2 hrs by fluorescence polarization assay |
J Med Chem 56: 3048-67 (2013)
Article DOI: 10.1021/jm4001105
BindingDB Entry DOI: 10.7270/Q2H41SSV |
More data for this
Ligand-Target Pair | |
Bcl-2-like protein 1
(Homo sapiens (Human)) | BDBM50427818
(CHEMBL2325757)Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)Nc1ccc(cc1)N1CCN(CC1)c1cccc(c1)-c1c(cnn1-c1ccc(Cl)cc1)C(=O)NS(C)(=O)=O |r| Show InChI InChI=1S/C45H48ClN9O7S3/c1-51(2)23-22-35(31-63-39-10-5-4-6-11-39)48-42-21-20-40(29-43(42)55(57)58)65(61,62)49-34-14-18-36(19-15-34)52-24-26-53(27-25-52)38-9-7-8-32(28-38)44-41(45(56)50-64(3,59)60)30-47-54(44)37-16-12-33(46)13-17-37/h4-21,28-30,35,48-49H,22-27,31H2,1-3H3,(H,50,56)/t35-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan
Curated by ChEMBL
| Assay Description
Binding affinity to BCL-XL (unknown origin) after 2 hrs by fluorescence polarization assay |
J Med Chem 56: 3048-67 (2013)
Article DOI: 10.1021/jm4001105
BindingDB Entry DOI: 10.7270/Q2H41SSV |
More data for this
Ligand-Target Pair | |
Apoptosis regulator Bcl-2
(Homo sapiens (Human)) | BDBM50427818
(CHEMBL2325757)Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)Nc1ccc(cc1)N1CCN(CC1)c1cccc(c1)-c1c(cnn1-c1ccc(Cl)cc1)C(=O)NS(C)(=O)=O |r| Show InChI InChI=1S/C45H48ClN9O7S3/c1-51(2)23-22-35(31-63-39-10-5-4-6-11-39)48-42-21-20-40(29-43(42)55(57)58)65(61,62)49-34-14-18-36(19-15-34)52-24-26-53(27-25-52)38-9-7-8-32(28-38)44-41(45(56)50-64(3,59)60)30-47-54(44)37-16-12-33(46)13-17-37/h4-21,28-30,35,48-49H,22-27,31H2,1-3H3,(H,50,56)/t35-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.40 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan
Curated by ChEMBL
| Assay Description
Binding affinity to BCL2 (unknown origin) after 2 hrs by fluorescence polarization assay |
J Med Chem 56: 3048-67 (2013)
Article DOI: 10.1021/jm4001105
BindingDB Entry DOI: 10.7270/Q2H41SSV |
More data for this
Ligand-Target Pair | |
Apoptosis regulator Bcl-2
(Homo sapiens (Human)) | BDBM50427831
(CHEMBL2325765)Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)Nc1ccc(cc1)N1CCN(CC1)c1cccc(c1)-c1c(C(=O)N2CC(C)(O)C2)c(C)n(C)c1-c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C51H57ClN8O6S2/c1-35-47(50(61)59-33-51(2,62)34-59)48(49(56(35)5)36-14-16-38(52)17-15-36)37-10-9-11-42(30-37)58-28-26-57(27-29-58)41-20-18-39(19-21-41)54-68(65,66)44-22-23-45(46(31-44)60(63)64)53-40(24-25-55(3)4)32-67-43-12-7-6-8-13-43/h6-23,30-31,40,53-54,62H,24-29,32-34H2,1-5H3/t40-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.60 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan
Curated by ChEMBL
| Assay Description
Binding affinity to BCL2 (unknown origin) after 2 hrs by fluorescence polarization assay |
J Med Chem 56: 3048-67 (2013)
Article DOI: 10.1021/jm4001105
BindingDB Entry DOI: 10.7270/Q2H41SSV |
More data for this
Ligand-Target Pair | |
Bcl-2-like protein 1
(Homo sapiens (Human)) | BDBM50427816
(CHEMBL2325759)Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)Nc1ccc(cc1)N1CCN(CC1)c1cccc(c1)-c1c(nn(C)c1C(O)=O)-c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C45H47ClN8O6S2/c1-50(2)23-22-35(30-61-38-10-5-4-6-11-38)47-40-21-20-39(29-41(40)54(57)58)62(59,60)49-34-16-18-36(19-17-34)52-24-26-53(27-25-52)37-9-7-8-32(28-37)42-43(31-12-14-33(46)15-13-31)48-51(3)44(42)45(55)56/h4-21,28-29,35,47,49H,22-27,30H2,1-3H3,(H,55,56)/t35-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.90 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan
Curated by ChEMBL
| Assay Description
Binding affinity to BCL-XL (unknown origin) after 2 hrs by fluorescence polarization assay |
J Med Chem 56: 3048-67 (2013)
Article DOI: 10.1021/jm4001105
BindingDB Entry DOI: 10.7270/Q2H41SSV |
More data for this
Ligand-Target Pair | |
Bcl-2-like protein 1
(Homo sapiens (Human)) | BDBM50393837
(CHEMBL2159736)Show SMILES CNC(=O)c1c(C)n(C)c(c1-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 |r| Show InChI InChI=1S/C48H53ClN8O5S2/c1-33-45(48(58)50-2)46(47(54(33)5)34-14-16-36(49)17-15-34)35-10-9-11-40(30-35)56-28-26-55(27-29-56)39-20-18-37(19-21-39)52-64(61,62)42-22-23-43(44(31-42)57(59)60)51-38(24-25-53(3)4)32-63-41-12-7-6-8-13-41/h6-23,30-31,38,51-52H,24-29,32H2,1-5H3,(H,50,58)/t38-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan
Curated by ChEMBL
| Assay Description
Binding affinity to BCL-XL (unknown origin) after 2 hrs by fluorescence polarization assay |
J Med Chem 56: 3048-67 (2013)
Article DOI: 10.1021/jm4001105
BindingDB Entry DOI: 10.7270/Q2H41SSV |
More data for this
Ligand-Target Pair | |
Bcl-2-like protein 1
(Homo sapiens (Human)) | BDBM50393833
(CHEMBL2159737)Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)Nc1ccc(cc1)N1CCN(CC1)c1cccc(c1)-c1c(C(O)=O)c(C)n(C)c1-c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C47H50ClN7O6S2/c1-32-44(47(56)57)45(46(52(32)4)33-13-15-35(48)16-14-33)34-9-8-10-39(29-34)54-27-25-53(26-28-54)38-19-17-36(18-20-38)50-63(60,61)41-21-22-42(43(30-41)55(58)59)49-37(23-24-51(2)3)31-62-40-11-6-5-7-12-40/h5-22,29-30,37,49-50H,23-28,31H2,1-4H3,(H,56,57)/t37-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan
Curated by ChEMBL
| Assay Description
Binding affinity to BCL-XL (unknown origin) after 2 hrs by fluorescence polarization assay |
J Med Chem 56: 3048-67 (2013)
Article DOI: 10.1021/jm4001105
BindingDB Entry DOI: 10.7270/Q2H41SSV |
More data for this
Ligand-Target Pair | |
Bcl-2-like protein 1
(Homo sapiens (Human)) | BDBM50427826
(CHEMBL2325770)Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)Nc1ccc(cc1)N1CCN(CC1)c1cccc(c1)-c1c(C(O)=O)c(n(C)c1-c1ccc(Cl)cc1)C(F)(F)F |r| Show InChI InChI=1S/C47H47ClF3N7O6S2/c1-54(2)23-22-35(30-65-38-10-5-4-6-11-38)52-40-21-20-39(29-41(40)58(61)62)66(63,64)53-34-16-18-36(19-17-34)56-24-26-57(27-25-56)37-9-7-8-32(28-37)42-43(46(59)60)45(47(49,50)51)55(3)44(42)31-12-14-33(48)15-13-31/h4-21,28-29,35,52-53H,22-27,30H2,1-3H3,(H,59,60)/t35-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan
Curated by ChEMBL
| Assay Description
Binding affinity to BCL-XL (unknown origin) after 2 hrs by fluorescence polarization assay |
J Med Chem 56: 3048-67 (2013)
Article DOI: 10.1021/jm4001105
BindingDB Entry DOI: 10.7270/Q2H41SSV |
More data for this
Ligand-Target Pair | |
Bcl-2-like protein 1
(Homo sapiens (Human)) | BDBM50427817
(CHEMBL2325758)Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)Nc1ccc(cc1)N1CCN(CC1)c1cccc(c1)-c1c(nn(C)c1-c1ccc(Cl)cc1)C(O)=O |r| Show InChI InChI=1S/C45H47ClN8O6S2/c1-50(2)23-22-35(30-61-38-10-5-4-6-11-38)47-40-21-20-39(29-41(40)54(57)58)62(59,60)49-34-16-18-36(19-17-34)52-24-26-53(27-25-52)37-9-7-8-32(28-37)42-43(45(55)56)48-51(3)44(42)31-12-14-33(46)15-13-31/h4-21,28-29,35,47,49H,22-27,30H2,1-3H3,(H,55,56)/t35-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6.10 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan
Curated by ChEMBL
| Assay Description
Binding affinity to BCL-XL (unknown origin) after 2 hrs by fluorescence polarization assay |
J Med Chem 56: 3048-67 (2013)
Article DOI: 10.1021/jm4001105
BindingDB Entry DOI: 10.7270/Q2H41SSV |
More data for this
Ligand-Target Pair | |
Bcl-2-like protein 1
(Homo sapiens (Human)) | BDBM50393832
(CHEMBL2159739)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](CCN(C)C)CSc3ccccc3)c(c2)[N+]([O-])=O)cc1 |r| Show InChI InChI=1S/C48H52ClN7O6S2/c1-5-55-33(2)45(48(57)58)46(47(55)34-14-16-36(49)17-15-34)35-10-9-11-40(30-35)54-28-26-53(27-29-54)39-20-18-37(19-21-39)51-64(61,62)42-22-23-43(44(31-42)56(59)60)50-38(24-25-52(3)4)32-63-41-12-7-6-8-13-41/h6-23,30-31,38,50-51H,5,24-29,32H2,1-4H3,(H,57,58)/t38-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6.60 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan
Curated by ChEMBL
| Assay Description
Binding affinity to BCL-XL (unknown origin) after 2 hrs by fluorescence polarization assay |
J Med Chem 56: 3048-67 (2013)
Article DOI: 10.1021/jm4001105
BindingDB Entry DOI: 10.7270/Q2H41SSV |
More data for this
Ligand-Target Pair | |
Bcl-2-like protein 1
(Homo sapiens (Human)) | BDBM50427811
(BM-1074 | CHEMBL2325764)Show SMILES CC(C)n1c(C)c(C(=O)NS(C)(=O)=O)c(c1-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 |r| Show InChI InChI=1S/C50H57ClN8O7S3/c1-34(2)58-35(3)47(50(60)54-68(6,63)64)48(49(58)36-15-17-38(51)18-16-36)37-11-10-12-42(31-37)57-29-27-56(28-30-57)41-21-19-39(20-22-41)53-69(65,66)44-23-24-45(46(32-44)59(61)62)52-40(25-26-55(4)5)33-67-43-13-8-7-9-14-43/h7-24,31-32,34,40,52-53H,25-30,33H2,1-6H3,(H,54,60)/t40-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6.90 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan
Curated by ChEMBL
| Assay Description
Binding affinity to BCL-XL (unknown origin) after 2 hrs by fluorescence polarization assay |
J Med Chem 56: 3048-67 (2013)
Article DOI: 10.1021/jm4001105
BindingDB Entry DOI: 10.7270/Q2H41SSV |
More data for this
Ligand-Target Pair | |
Bcl-2-like protein 1
(Homo sapiens (Human)) | BDBM50427812
(BM-1075 | CHEMBL2325763)Show SMILES CCn1c(C)c(C(=O)NS(C)(=O)=O)c(c1-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 |r| Show InChI InChI=1S/C49H55ClN8O7S3/c1-6-57-34(2)46(49(59)53-67(5,62)63)47(48(57)35-15-17-37(50)18-16-35)36-11-10-12-41(31-36)56-29-27-55(28-30-56)40-21-19-38(20-22-40)52-68(64,65)43-23-24-44(45(32-43)58(60)61)51-39(25-26-54(3)4)33-66-42-13-8-7-9-14-42/h7-24,31-32,39,51-52H,6,25-30,33H2,1-5H3,(H,53,59)/t39-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan
Curated by ChEMBL
| Assay Description
Binding affinity to BCL-XL (unknown origin) after 2 hrs by fluorescence polarization assay |
J Med Chem 56: 3048-67 (2013)
Article DOI: 10.1021/jm4001105
BindingDB Entry DOI: 10.7270/Q2H41SSV |
More data for this
Ligand-Target Pair | |
Apoptosis regulator Bcl-2
(Homo sapiens (Human)) | BDBM50427817
(CHEMBL2325758)Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)Nc1ccc(cc1)N1CCN(CC1)c1cccc(c1)-c1c(nn(C)c1-c1ccc(Cl)cc1)C(O)=O |r| Show InChI InChI=1S/C45H47ClN8O6S2/c1-50(2)23-22-35(30-61-38-10-5-4-6-11-38)47-40-21-20-39(29-41(40)54(57)58)62(59,60)49-34-16-18-36(19-17-34)52-24-26-53(27-25-52)37-9-7-8-32(28-37)42-43(45(55)56)48-51(3)44(42)31-12-14-33(46)15-13-31/h4-21,28-29,35,47,49H,22-27,30H2,1-3H3,(H,55,56)/t35-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7.10 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan
Curated by ChEMBL
| Assay Description
Binding affinity to BCL2 (unknown origin) after 2 hrs by fluorescence polarization assay |
J Med Chem 56: 3048-67 (2013)
Article DOI: 10.1021/jm4001105
BindingDB Entry DOI: 10.7270/Q2H41SSV |
More data for this
Ligand-Target Pair | |
Apoptosis regulator Bcl-2
(Homo sapiens (Human)) | BDBM50427832
(CHEMBL2326041)Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)Nc1ccc(cc1)N1CCN(CC1)c1cccc(c1)-c1c(C(=O)N[C@H]2C[C@@](C)(O)C2)c(C)n(C)c1-c1ccc(Cl)cc1 |r,wU:53.59,5.14,51.55,wD:53.58,(25.19,-28.45,;26.52,-27.68,;27.85,-28.44,;26.52,-26.14,;27.85,-25.36,;27.85,-23.82,;29.18,-23.05,;30.51,-23.82,;31.85,-23.05,;33.18,-23.83,;34.51,-23.06,;34.51,-21.51,;33.16,-20.75,;31.84,-21.52,;26.51,-23.06,;25.18,-23.83,;25.18,-25.37,;23.85,-26.13,;22.52,-25.36,;22.51,-23.83,;23.84,-23.06,;23.83,-21.51,;25.17,-20.74,;22.5,-20.75,;21.19,-26.13,;21.95,-27.46,;20.42,-27.45,;19.85,-25.37,;18.52,-26.14,;18.53,-27.69,;17.19,-28.46,;15.85,-27.69,;15.86,-26.15,;17.19,-25.38,;14.52,-28.46,;13.19,-27.69,;11.86,-28.45,;11.85,-29.99,;13.18,-30.77,;14.53,-30,;10.52,-30.75,;10.52,-32.29,;9.18,-33.05,;7.85,-32.28,;7.85,-30.74,;9.19,-29.97,;6.52,-29.96,;6.36,-28.43,;7.51,-27.4,;8.97,-27.88,;7.2,-25.89,;8.35,-24.87,;8.44,-23.33,;9.97,-23.41,;11.51,-23.4,;10.73,-22.07,;9.88,-24.95,;4.86,-28.1,;4.24,-26.69,;4.09,-29.43,;2.55,-29.58,;5.11,-30.58,;4.78,-32.08,;3.31,-32.54,;2.98,-34.04,;4.12,-35.08,;3.79,-36.59,;5.59,-34.61,;5.92,-33.11,)| Show InChI InChI=1S/C52H59ClN8O6S2/c1-35-48(51(62)55-41-32-52(2,63)33-41)49(50(58(35)5)36-14-16-38(53)17-15-36)37-10-9-11-43(30-37)60-28-26-59(27-29-60)42-20-18-39(19-21-42)56-69(66,67)45-22-23-46(47(31-45)61(64)65)54-40(24-25-57(3)4)34-68-44-12-7-6-8-13-44/h6-23,30-31,40-41,54,56,63H,24-29,32-34H2,1-5H3,(H,55,62)/t40-,41-,52+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7.5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan
Curated by ChEMBL
| Assay Description
Binding affinity to BCL2 (unknown origin) after 2 hrs by fluorescence polarization assay |
J Med Chem 56: 3048-67 (2013)
Article DOI: 10.1021/jm4001105
BindingDB Entry DOI: 10.7270/Q2H41SSV |
More data for this
Ligand-Target Pair | |
Bcl-2-like protein 1
(Homo sapiens (Human)) | BDBM50427814
(CHEMBL2325761)Show SMILES CCCn1c(C)c(C(O)=O)c(c1-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 |r| Show InChI InChI=1S/C49H54ClN7O6S2/c1-5-25-56-34(2)46(49(58)59)47(48(56)35-14-16-37(50)17-15-35)36-10-9-11-41(31-36)55-29-27-54(28-30-55)40-20-18-38(19-21-40)52-65(62,63)43-22-23-44(45(32-43)57(60)61)51-39(24-26-53(3)4)33-64-42-12-7-6-8-13-42/h6-23,31-32,39,51-52H,5,24-30,33H2,1-4H3,(H,58,59)/t39-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 8.20 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan
Curated by ChEMBL
| Assay Description
Binding affinity to BCL-XL (unknown origin) after 2 hrs by fluorescence polarization assay |
J Med Chem 56: 3048-67 (2013)
Article DOI: 10.1021/jm4001105
BindingDB Entry DOI: 10.7270/Q2H41SSV |
More data for this
Ligand-Target Pair | |
Bcl-2-like protein 1
(Homo sapiens (Human)) | BDBM50427819
(CHEMBL2326039)Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)Nc1ccc(cc1)N1CCN(CC1)c1cccc(c1)-c1c(ncn1-c1ccc(Cl)cc1)C(=O)NS(C)(=O)=O |r| Show InChI InChI=1S/C45H48ClN9O7S3/c1-51(2)23-22-35(30-63-39-10-5-4-6-11-39)48-41-21-20-40(29-42(41)55(57)58)65(61,62)49-34-14-18-36(19-15-34)52-24-26-53(27-25-52)38-9-7-8-32(28-38)44-43(45(56)50-64(3,59)60)47-31-54(44)37-16-12-33(46)13-17-37/h4-21,28-29,31,35,48-49H,22-27,30H2,1-3H3,(H,50,56)/t35-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 8.30 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan
Curated by ChEMBL
| Assay Description
Binding affinity to BCL-XL (unknown origin) after 2 hrs by fluorescence polarization assay |
J Med Chem 56: 3048-67 (2013)
Article DOI: 10.1021/jm4001105
BindingDB Entry DOI: 10.7270/Q2H41SSV |
More data for this
Ligand-Target Pair | |
Bcl-2-like protein 1
(Homo sapiens (Human)) | BDBM50427831
(CHEMBL2325765)Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)Nc1ccc(cc1)N1CCN(CC1)c1cccc(c1)-c1c(C(=O)N2CC(C)(O)C2)c(C)n(C)c1-c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C51H57ClN8O6S2/c1-35-47(50(61)59-33-51(2,62)34-59)48(49(56(35)5)36-14-16-38(52)17-15-36)37-10-9-11-42(30-37)58-28-26-57(27-29-58)41-20-18-39(19-21-41)54-68(65,66)44-22-23-45(46(31-44)60(63)64)53-40(24-25-55(3)4)32-67-43-12-7-6-8-13-43/h6-23,30-31,40,53-54,62H,24-29,32-34H2,1-5H3/t40-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 9.40 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan
Curated by ChEMBL
| Assay Description
Binding affinity to BCL-XL (unknown origin) after 2 hrs by fluorescence polarization assay |
J Med Chem 56: 3048-67 (2013)
Article DOI: 10.1021/jm4001105
BindingDB Entry DOI: 10.7270/Q2H41SSV |
More data for this
Ligand-Target Pair | |
Apoptosis regulator Bcl-2
(Homo sapiens (Human)) | BDBM50427814
(CHEMBL2325761)Show SMILES CCCn1c(C)c(C(O)=O)c(c1-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 |r| Show InChI InChI=1S/C49H54ClN7O6S2/c1-5-25-56-34(2)46(49(58)59)47(48(56)35-14-16-37(50)17-15-35)36-10-9-11-41(31-36)55-29-27-54(28-30-55)40-20-18-38(19-21-40)52-65(62,63)43-22-23-44(45(32-43)57(60)61)51-39(24-26-53(3)4)33-64-42-12-7-6-8-13-42/h6-23,31-32,39,51-52H,5,24-30,33H2,1-4H3,(H,58,59)/t39-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan
Curated by ChEMBL
| Assay Description
Binding affinity to BCL2 (unknown origin) after 2 hrs by fluorescence polarization assay |
J Med Chem 56: 3048-67 (2013)
Article DOI: 10.1021/jm4001105
BindingDB Entry DOI: 10.7270/Q2H41SSV |
More data for this
Ligand-Target Pair | |
Bcl-2-like protein 1
(Homo sapiens (Human)) | BDBM50393836
(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 |r| 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
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan
Curated by ChEMBL
| Assay Description
Binding affinity to BCL-XL (unknown origin) after 2 hrs by fluorescence polarization assay |
J Med Chem 56: 3048-67 (2013)
Article DOI: 10.1021/jm4001105
BindingDB Entry DOI: 10.7270/Q2H41SSV |
More data for this
Ligand-Target Pair | |
Bcl-2-like protein 1
(Homo sapiens (Human)) | BDBM50427829
(CHEMBL2325767)Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)Nc1ccc(cc1)N1CCN(CC1)c1cccc(c1)-c1c(Cl)c(C)n(C)c1-c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C46H49Cl2N7O4S2/c1-32-45(48)44(46(52(32)4)33-13-15-35(47)16-14-33)34-9-8-10-39(29-34)54-27-25-53(26-28-54)38-19-17-36(18-20-38)50-61(58,59)41-21-22-42(43(30-41)55(56)57)49-37(23-24-51(2)3)31-60-40-11-6-5-7-12-40/h5-22,29-30,37,49-50H,23-28,31H2,1-4H3/t37-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan
Curated by ChEMBL
| Assay Description
Binding affinity to BCL-XL (unknown origin) after 2 hrs by fluorescence polarization assay |
J Med Chem 56: 3048-67 (2013)
Article DOI: 10.1021/jm4001105
BindingDB Entry DOI: 10.7270/Q2H41SSV |
More data for this
Ligand-Target Pair | |
Bcl-2-like protein 1
(Homo sapiens (Human)) | BDBM50427828
(CHEMBL2325768)Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)Nc1ccc(cc1)N1CCN(CC1)c1cccc(c1)-c1c(-c2ccc(Cl)cc2)n(C)c(C)c1C(F)(F)F |r| Show InChI InChI=1S/C47H49ClF3N7O4S2/c1-32-45(47(49,50)51)44(46(55(32)4)33-13-15-35(48)16-14-33)34-9-8-10-39(29-34)57-27-25-56(26-28-57)38-19-17-36(18-20-38)53-64(61,62)41-21-22-42(43(30-41)58(59)60)52-37(23-24-54(2)3)31-63-40-11-6-5-7-12-40/h5-22,29-30,37,52-53H,23-28,31H2,1-4H3/t37-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan
Curated by ChEMBL
| Assay Description
Binding affinity to BCL-XL (unknown origin) after 2 hrs by fluorescence polarization assay |
J Med Chem 56: 3048-67 (2013)
Article DOI: 10.1021/jm4001105
BindingDB Entry DOI: 10.7270/Q2H41SSV |
More data for this
Ligand-Target Pair | |
Bcl-2-like protein 1
(Homo sapiens (Human)) | BDBM50427833
(CHEMBL2326040)Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)Nc1ccc(cc1)N1CCN(CC1)c1cccc(c1)-c1c(C(N)=O)c(C)n(C)c1-c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C47H51ClN8O5S2/c1-32-44(47(49)57)45(46(53(32)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)41-21-22-42(43(30-41)56(58)59)50-37(23-24-52(2)3)31-62-40-11-6-5-7-12-40/h5-22,29-30,37,50-51H,23-28,31H2,1-4H3,(H2,49,57)/t37-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan
Curated by ChEMBL
| Assay Description
Binding affinity to BCL-XL (unknown origin) after 2 hrs by fluorescence polarization assay |
J Med Chem 56: 3048-67 (2013)
Article DOI: 10.1021/jm4001105
BindingDB Entry DOI: 10.7270/Q2H41SSV |
More data for this
Ligand-Target Pair | |
Bcl-2-like protein 1
(Homo sapiens (Human)) | BDBM50427822
(CHEMBL2325774)Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)Nc1ccc(cc1)N1CCN(CC1)c1cccc(c1)-c1cnn(C)c1-c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C44H47ClN8O4S2/c1-49(2)23-22-36(31-58-39-10-5-4-6-11-39)47-42-21-20-40(29-43(42)53(54)55)59(56,57)48-35-16-18-37(19-17-35)51-24-26-52(27-25-51)38-9-7-8-33(28-38)41-30-46-50(3)44(41)32-12-14-34(45)15-13-32/h4-21,28-30,36,47-48H,22-27,31H2,1-3H3/t36-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan
Curated by ChEMBL
| Assay Description
Binding affinity to BCL-XL (unknown origin) after 2 hrs by fluorescence polarization assay |
J Med Chem 56: 3048-67 (2013)
Article DOI: 10.1021/jm4001105
BindingDB Entry DOI: 10.7270/Q2H41SSV |
More data for this
Ligand-Target Pair | |
Bcl-2-like protein 1
(Homo sapiens (Human)) | BDBM50427832
(CHEMBL2326041)Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)Nc1ccc(cc1)N1CCN(CC1)c1cccc(c1)-c1c(C(=O)N[C@H]2C[C@@](C)(O)C2)c(C)n(C)c1-c1ccc(Cl)cc1 |r,wU:53.59,5.14,51.55,wD:53.58,(25.19,-28.45,;26.52,-27.68,;27.85,-28.44,;26.52,-26.14,;27.85,-25.36,;27.85,-23.82,;29.18,-23.05,;30.51,-23.82,;31.85,-23.05,;33.18,-23.83,;34.51,-23.06,;34.51,-21.51,;33.16,-20.75,;31.84,-21.52,;26.51,-23.06,;25.18,-23.83,;25.18,-25.37,;23.85,-26.13,;22.52,-25.36,;22.51,-23.83,;23.84,-23.06,;23.83,-21.51,;25.17,-20.74,;22.5,-20.75,;21.19,-26.13,;21.95,-27.46,;20.42,-27.45,;19.85,-25.37,;18.52,-26.14,;18.53,-27.69,;17.19,-28.46,;15.85,-27.69,;15.86,-26.15,;17.19,-25.38,;14.52,-28.46,;13.19,-27.69,;11.86,-28.45,;11.85,-29.99,;13.18,-30.77,;14.53,-30,;10.52,-30.75,;10.52,-32.29,;9.18,-33.05,;7.85,-32.28,;7.85,-30.74,;9.19,-29.97,;6.52,-29.96,;6.36,-28.43,;7.51,-27.4,;8.97,-27.88,;7.2,-25.89,;8.35,-24.87,;8.44,-23.33,;9.97,-23.41,;11.51,-23.4,;10.73,-22.07,;9.88,-24.95,;4.86,-28.1,;4.24,-26.69,;4.09,-29.43,;2.55,-29.58,;5.11,-30.58,;4.78,-32.08,;3.31,-32.54,;2.98,-34.04,;4.12,-35.08,;3.79,-36.59,;5.59,-34.61,;5.92,-33.11,)| Show InChI InChI=1S/C52H59ClN8O6S2/c1-35-48(51(62)55-41-32-52(2,63)33-41)49(50(58(35)5)36-14-16-38(53)17-15-36)37-10-9-11-43(30-37)60-28-26-59(27-29-60)42-20-18-39(19-21-42)56-69(66,67)45-22-23-46(47(31-45)61(64)65)54-40(24-25-57(3)4)34-68-44-12-7-6-8-13-44/h6-23,30-31,40-41,54,56,63H,24-29,32-34H2,1-5H3,(H,55,62)/t40-,41-,52+/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan
Curated by ChEMBL
| Assay Description
Binding affinity to BCL-XL (unknown origin) after 2 hrs by fluorescence polarization assay |
J Med Chem 56: 3048-67 (2013)
Article DOI: 10.1021/jm4001105
BindingDB Entry DOI: 10.7270/Q2H41SSV |
More data for this
Ligand-Target Pair | |
Bcl-2-like protein 1
(Homo sapiens (Human)) | BDBM50427813
(CHEMBL2325762)Show SMILES CCCCn1c(C)c(C(O)=O)c(c1-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 |r| Show InChI InChI=1S/C50H56ClN7O6S2/c1-5-6-26-57-35(2)47(50(59)60)48(49(57)36-15-17-38(51)18-16-36)37-11-10-12-42(32-37)56-30-28-55(29-31-56)41-21-19-39(20-22-41)53-66(63,64)44-23-24-45(46(33-44)58(61)62)52-40(25-27-54(3)4)34-65-43-13-8-7-9-14-43/h7-24,32-33,40,52-53H,5-6,25-31,34H2,1-4H3,(H,59,60)/t40-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan
Curated by ChEMBL
| Assay Description
Binding affinity to BCL-XL (unknown origin) after 2 hrs by fluorescence polarization assay |
J Med Chem 56: 3048-67 (2013)
Article DOI: 10.1021/jm4001105
BindingDB Entry DOI: 10.7270/Q2H41SSV |
More data for this
Ligand-Target Pair | |
Apoptosis regulator Bcl-2
(Homo sapiens (Human)) | BDBM50427827
(CHEMBL2325769)Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)Nc1ccc(cc1)N1CCN(CC1)c1cccc(c1)-c1c(C#N)c(C)n(C)c1-c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C47H49ClN8O4S2/c1-33-43(31-49)46(47(53(33)4)34-13-15-36(48)16-14-34)35-9-8-10-40(29-35)55-27-25-54(26-28-55)39-19-17-37(18-20-39)51-62(59,60)42-21-22-44(45(30-42)56(57)58)50-38(23-24-52(2)3)32-61-41-11-6-5-7-12-41/h5-22,29-30,38,50-51H,23-28,32H2,1-4H3/t38-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan
Curated by ChEMBL
| Assay Description
Binding affinity to BCL2 (unknown origin) after 2 hrs by fluorescence polarization assay |
J Med Chem 56: 3048-67 (2013)
Article DOI: 10.1021/jm4001105
BindingDB Entry DOI: 10.7270/Q2H41SSV |
More data for this
Ligand-Target Pair | |
Bcl-2-like protein 1
(Homo sapiens (Human)) | BDBM50427824
(CHEMBL2325772)Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)Nc1ccc(cc1)N1CCN(CC1)c1cccc(c1)-c1cncn1-c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C43H45ClN8O4S2/c1-48(2)22-21-35(30-57-39-9-4-3-5-10-39)46-41-20-19-40(28-42(41)52(53)54)58(55,56)47-34-13-17-36(18-14-34)49-23-25-50(26-24-49)38-8-6-7-32(27-38)43-29-45-31-51(43)37-15-11-33(44)12-16-37/h3-20,27-29,31,35,46-47H,21-26,30H2,1-2H3/t35-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan
Curated by ChEMBL
| Assay Description
Binding affinity to BCL-XL (unknown origin) after 2 hrs by fluorescence polarization assay |
J Med Chem 56: 3048-67 (2013)
Article DOI: 10.1021/jm4001105
BindingDB Entry DOI: 10.7270/Q2H41SSV |
More data for this
Ligand-Target Pair | |
Apoptosis regulator Bcl-2
(Homo sapiens (Human)) | BDBM50427833
(CHEMBL2326040)Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)Nc1ccc(cc1)N1CCN(CC1)c1cccc(c1)-c1c(C(N)=O)c(C)n(C)c1-c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C47H51ClN8O5S2/c1-32-44(47(49)57)45(46(53(32)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)41-21-22-42(43(30-41)56(58)59)50-37(23-24-52(2)3)31-62-40-11-6-5-7-12-40/h5-22,29-30,37,50-51H,23-28,31H2,1-4H3,(H2,49,57)/t37-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan
Curated by ChEMBL
| Assay Description
Binding affinity to BCL2 (unknown origin) after 2 hrs by fluorescence polarization assay |
J Med Chem 56: 3048-67 (2013)
Article DOI: 10.1021/jm4001105
BindingDB Entry DOI: 10.7270/Q2H41SSV |
More data for this
Ligand-Target Pair | |
Bcl-2-like protein 1
(Homo sapiens (Human)) | BDBM50427820
(CHEMBL2326038)Show SMILES CN(C)CCC(CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)Nc1ccc(cc1)N1CCN(CC1)c1cccc(c1)-c1c[n-][o+]c1-c1ccc(Cl)cc1 Show InChI InChI=1S/C43H44ClN7O5S2/c1-48(2)22-21-35(30-57-38-9-4-3-5-10-38)46-41-20-19-39(28-42(41)51(52)53)58(54,55)47-34-15-17-36(18-16-34)49-23-25-50(26-24-49)37-8-6-7-32(27-37)40-29-45-56-43(40)31-11-13-33(44)14-12-31/h3-20,27-29,35,46-47H,21-26,30H2,1-2H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 22 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan
Curated by ChEMBL
| Assay Description
Binding affinity to BCL-XL (unknown origin) after 2 hrs by fluorescence polarization assay |
J Med Chem 56: 3048-67 (2013)
Article DOI: 10.1021/jm4001105
BindingDB Entry DOI: 10.7270/Q2H41SSV |
More data for this
Ligand-Target Pair | |
Apoptosis regulator Bcl-2
(Homo sapiens (Human)) | BDBM50427813
(CHEMBL2325762)Show SMILES CCCCn1c(C)c(C(O)=O)c(c1-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 |r| Show InChI InChI=1S/C50H56ClN7O6S2/c1-5-6-26-57-35(2)47(50(59)60)48(49(57)36-15-17-38(51)18-16-36)37-11-10-12-42(32-37)56-30-28-55(29-31-56)41-21-19-39(20-22-41)53-66(63,64)44-23-24-45(46(33-44)58(61)62)52-40(25-27-54(3)4)34-65-43-13-8-7-9-14-43/h7-24,32-33,40,52-53H,5-6,25-31,34H2,1-4H3,(H,59,60)/t40-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 23 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan
Curated by ChEMBL
| Assay Description
Binding affinity to BCL2 (unknown origin) after 2 hrs by fluorescence polarization assay |
J Med Chem 56: 3048-67 (2013)
Article DOI: 10.1021/jm4001105
BindingDB Entry DOI: 10.7270/Q2H41SSV |
More data for this
Ligand-Target Pair | |
Bcl-2-like protein 1
(Homo sapiens (Human)) | BDBM50427821
(CHEMBL2326037)Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)Nc1ccc(cc1)N1CCN(CC1)c1cccc(c1)-c1cn(C)nc1-c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C44H47ClN8O4S2/c1-49(2)23-22-36(31-58-39-10-5-4-6-11-39)46-42-21-20-40(29-43(42)53(54)55)59(56,57)48-35-16-18-37(19-17-35)51-24-26-52(27-25-51)38-9-7-8-33(28-38)41-30-50(3)47-44(41)32-12-14-34(45)15-13-32/h4-21,28-30,36,46,48H,22-27,31H2,1-3H3/t36-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 26 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan
Curated by ChEMBL
| Assay Description
Binding affinity to BCL-XL (unknown origin) after 2 hrs by fluorescence polarization assay |
J Med Chem 56: 3048-67 (2013)
Article DOI: 10.1021/jm4001105
BindingDB Entry DOI: 10.7270/Q2H41SSV |
More data for this
Ligand-Target Pair | |
Bcl-2-like protein 1
(Homo sapiens (Human)) | BDBM50427823
(CHEMBL2325773)Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)Nc1ccc(cc1)N1CCN(CC1)c1cccc(c1)-c1ccnn1-c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C43H45ClN8O4S2/c1-48(2)24-22-35(31-57-39-9-4-3-5-10-39)46-41-20-19-40(30-43(41)52(53)54)58(55,56)47-34-13-17-36(18-14-34)49-25-27-50(28-26-49)38-8-6-7-32(29-38)42-21-23-45-51(42)37-15-11-33(44)12-16-37/h3-21,23,29-30,35,46-47H,22,24-28,31H2,1-2H3/t35-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 32 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan
Curated by ChEMBL
| Assay Description
Binding affinity to BCL-XL (unknown origin) after 2 hrs by fluorescence polarization assay |
J Med Chem 56: 3048-67 (2013)
Article DOI: 10.1021/jm4001105
BindingDB Entry DOI: 10.7270/Q2H41SSV |
More data for this
Ligand-Target Pair | |
Apoptosis regulator Bcl-2
(Homo sapiens (Human)) | BDBM50427824
(CHEMBL2325772)Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)Nc1ccc(cc1)N1CCN(CC1)c1cccc(c1)-c1cncn1-c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C43H45ClN8O4S2/c1-48(2)22-21-35(30-57-39-9-4-3-5-10-39)46-41-20-19-40(28-42(41)52(53)54)58(55,56)47-34-13-17-36(18-14-34)49-23-25-50(26-24-49)38-8-6-7-32(27-38)43-29-45-31-51(43)37-15-11-33(44)12-16-37/h3-20,27-29,31,35,46-47H,21-26,30H2,1-2H3/t35-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 46 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan
Curated by ChEMBL
| Assay Description
Binding affinity to BCL2 (unknown origin) after 2 hrs by fluorescence polarization assay |
J Med Chem 56: 3048-67 (2013)
Article DOI: 10.1021/jm4001105
BindingDB Entry DOI: 10.7270/Q2H41SSV |
More data for this
Ligand-Target Pair | |
Apoptosis regulator Bcl-2
(Homo sapiens (Human)) | BDBM50393836
(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 |r| 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
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 99 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan
Curated by ChEMBL
| Assay Description
Binding affinity to BCL2 (unknown origin) after 2 hrs by fluorescence polarization assay |
J Med Chem 56: 3048-67 (2013)
Article DOI: 10.1021/jm4001105
BindingDB Entry DOI: 10.7270/Q2H41SSV |
More data for this
Ligand-Target Pair | |
Apoptosis regulator Bcl-2
(Homo sapiens (Human)) | BDBM50427823
(CHEMBL2325773)Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)Nc1ccc(cc1)N1CCN(CC1)c1cccc(c1)-c1ccnn1-c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C43H45ClN8O4S2/c1-48(2)24-22-35(31-57-39-9-4-3-5-10-39)46-41-20-19-40(30-43(41)52(53)54)58(55,56)47-34-13-17-36(18-14-34)49-25-27-50(28-26-49)38-8-6-7-32(29-38)42-21-23-45-51(42)37-15-11-33(44)12-16-37/h3-21,23,29-30,35,46-47H,22,24-28,31H2,1-2H3/t35-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 110 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan
Curated by ChEMBL
| Assay Description
Binding affinity to BCL2 (unknown origin) after 2 hrs by fluorescence polarization assay |
J Med Chem 56: 3048-67 (2013)
Article DOI: 10.1021/jm4001105
BindingDB Entry DOI: 10.7270/Q2H41SSV |
More data for this
Ligand-Target Pair | |
Apoptosis regulator Bcl-2
(Homo sapiens (Human)) | BDBM50427821
(CHEMBL2326037)Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)Nc1ccc(cc1)N1CCN(CC1)c1cccc(c1)-c1cn(C)nc1-c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C44H47ClN8O4S2/c1-49(2)23-22-36(31-58-39-10-5-4-6-11-39)46-42-21-20-40(29-43(42)53(54)55)59(56,57)48-35-16-18-37(19-17-35)51-24-26-52(27-25-51)38-9-7-8-33(28-38)41-30-50(3)47-44(41)32-12-14-34(45)15-13-32/h4-21,28-30,36,46,48H,22-27,31H2,1-3H3/t36-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 140 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan
Curated by ChEMBL
| Assay Description
Binding affinity to BCL2 (unknown origin) after 2 hrs by fluorescence polarization assay |
J Med Chem 56: 3048-67 (2013)
Article DOI: 10.1021/jm4001105
BindingDB Entry DOI: 10.7270/Q2H41SSV |
More data for this
Ligand-Target Pair | |
Apoptosis regulator Bcl-2
(Homo sapiens (Human)) | BDBM50427822
(CHEMBL2325774)Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)Nc1ccc(cc1)N1CCN(CC1)c1cccc(c1)-c1cnn(C)c1-c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C44H47ClN8O4S2/c1-49(2)23-22-36(31-58-39-10-5-4-6-11-39)47-42-21-20-40(29-43(42)53(54)55)59(56,57)48-35-16-18-37(19-17-35)51-24-26-52(27-25-51)38-9-7-8-33(28-38)41-30-46-50(3)44(41)32-12-14-34(45)15-13-32/h4-21,28-30,36,47-48H,22-27,31H2,1-3H3/t36-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 210 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan
Curated by ChEMBL
| Assay Description
Binding affinity to BCL2 (unknown origin) after 2 hrs by fluorescence polarization assay |
J Med Chem 56: 3048-67 (2013)
Article DOI: 10.1021/jm4001105
BindingDB Entry DOI: 10.7270/Q2H41SSV |
More data for this
Ligand-Target Pair | |
Apoptosis regulator Bcl-2
(Homo sapiens (Human)) | BDBM50427829
(CHEMBL2325767)Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)Nc1ccc(cc1)N1CCN(CC1)c1cccc(c1)-c1c(Cl)c(C)n(C)c1-c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C46H49Cl2N7O4S2/c1-32-45(48)44(46(52(32)4)33-13-15-35(47)16-14-33)34-9-8-10-39(29-34)54-27-25-53(26-28-54)38-19-17-36(18-20-38)50-61(58,59)41-21-22-42(43(30-41)55(56)57)49-37(23-24-51(2)3)31-60-40-11-6-5-7-12-40/h5-22,29-30,37,49-50H,23-28,31H2,1-4H3/t37-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 260 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan
Curated by ChEMBL
| Assay Description
Binding affinity to BCL2 (unknown origin) after 2 hrs by fluorescence polarization assay |
J Med Chem 56: 3048-67 (2013)
Article DOI: 10.1021/jm4001105
BindingDB Entry DOI: 10.7270/Q2H41SSV |
More data for this
Ligand-Target Pair | |
Apoptosis regulator Bcl-2
(Homo sapiens (Human)) | BDBM50427828
(CHEMBL2325768)Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)Nc1ccc(cc1)N1CCN(CC1)c1cccc(c1)-c1c(-c2ccc(Cl)cc2)n(C)c(C)c1C(F)(F)F |r| Show InChI InChI=1S/C47H49ClF3N7O4S2/c1-32-45(47(49,50)51)44(46(55(32)4)33-13-15-35(48)16-14-33)34-9-8-10-39(29-34)57-27-25-56(26-28-57)38-19-17-36(18-20-38)53-64(61,62)41-21-22-42(43(30-41)58(59)60)52-37(23-24-54(2)3)31-63-40-11-6-5-7-12-40/h5-22,29-30,37,52-53H,23-28,31H2,1-4H3/t37-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 271 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan
Curated by ChEMBL
| Assay Description
Binding affinity to BCL2 (unknown origin) after 2 hrs by fluorescence polarization assay |
J Med Chem 56: 3048-67 (2013)
Article DOI: 10.1021/jm4001105
BindingDB Entry DOI: 10.7270/Q2H41SSV |
More data for this
Ligand-Target Pair | |
Apoptosis regulator Bcl-2
(Homo sapiens (Human)) | BDBM50427820
(CHEMBL2326038)Show SMILES CN(C)CCC(CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)Nc1ccc(cc1)N1CCN(CC1)c1cccc(c1)-c1c[n-][o+]c1-c1ccc(Cl)cc1 Show InChI InChI=1S/C43H44ClN7O5S2/c1-48(2)22-21-35(30-57-38-9-4-3-5-10-38)46-41-20-19-39(28-42(41)51(52)53)58(54,55)47-34-15-17-36(18-16-34)49-23-25-50(26-24-49)37-8-6-7-32(27-37)40-29-45-56-43(40)31-11-13-33(44)14-12-31/h3-20,27-29,35,46-47H,21-26,30H2,1-2H3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 350 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan
Curated by ChEMBL
| Assay Description
Binding affinity to BCL2 (unknown origin) after 2 hrs by fluorescence polarization assay |
J Med Chem 56: 3048-67 (2013)
Article DOI: 10.1021/jm4001105
BindingDB Entry DOI: 10.7270/Q2H41SSV |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM50427811
(BM-1074 | CHEMBL2325764)Show SMILES CC(C)n1c(C)c(C(=O)NS(C)(=O)=O)c(c1-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 |r| Show InChI InChI=1S/C50H57ClN8O7S3/c1-34(2)58-35(3)47(50(60)54-68(6,63)64)48(49(58)36-15-17-38(51)18-16-36)37-11-10-12-42(31-37)57-29-27-56(28-30-57)41-21-19-39(20-22-41)53-69(65,66)44-23-24-45(46(32-44)59(61)62)52-40(25-26-55(4)5)33-67-43-13-8-7-9-14-43/h7-24,31-32,34,40,52-53H,25-30,33H2,1-6H3,(H,54,60)/t40-/m1/s1 | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan
Curated by ChEMBL
| Assay Description
Binding affinity to MCL1 (unknown origin) after 2 hrs by fluorescence polarization assay |
J Med Chem 56: 3048-67 (2013)
Article DOI: 10.1021/jm4001105
BindingDB Entry DOI: 10.7270/Q2H41SSV |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM50427812
(BM-1075 | CHEMBL2325763)Show SMILES CCn1c(C)c(C(=O)NS(C)(=O)=O)c(c1-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 |r| Show InChI InChI=1S/C49H55ClN8O7S3/c1-6-57-34(2)46(49(59)53-67(5,62)63)47(48(57)35-15-17-37(50)18-16-35)36-11-10-12-41(31-36)56-29-27-55(28-30-56)40-21-19-38(20-22-40)52-68(64,65)43-23-24-44(45(32-43)58(60)61)51-39(25-26-54(3)4)33-66-42-13-8-7-9-14-42/h7-24,31-32,39,51-52H,6,25-30,33H2,1-5H3,(H,53,59)/t39-/m1/s1 | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan
Curated by ChEMBL
| Assay Description
Binding affinity to MCL1 (unknown origin) after 2 hrs by fluorescence polarization assay |
J Med Chem 56: 3048-67 (2013)
Article DOI: 10.1021/jm4001105
BindingDB Entry DOI: 10.7270/Q2H41SSV |
More data for this
Ligand-Target Pair | |
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