Found 40 hits Enz. Inhib. hit(s) with all data for entry = 50034420 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)) | BDBM50362153
(CHEMBL1940678)Show SMILES [O-][N+](=O)c1cc(ccc1NCCSc1ccccc1)S(=O)(=O)NC(=O)c1ccc(NC(=O)c2ccc(Br)cc2)cc1 Show InChI InChI=1S/C28H23BrN4O6S2/c29-21-10-6-19(7-11-21)27(34)31-22-12-8-20(9-13-22)28(35)32-41(38,39)24-14-15-25(26(18-24)33(36)37)30-16-17-40-23-4-2-1-3-5-23/h1-15,18,30H,16-17H2,(H,31,34)(H,32,35) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 760 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Second Military Medical University
Curated by ChEMBL
| Assay Description
Binding affinity to Bcl-2 by competitive fluorescence polarization assay |
Bioorg Med Chem Lett 22: 39-44 (2011)
Article DOI: 10.1016/j.bmcl.2011.11.101
BindingDB Entry DOI: 10.7270/Q2MG7PX2 |
More data for this
Ligand-Target Pair | |
Apoptosis regulator Bcl-2
(Homo sapiens (Human)) | BDBM50362141
(CHEMBL1940679)Show SMILES COc1ccc(cc1)C(=O)Nc1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(NCCSc2ccccc2)c(c1)[N+]([O-])=O Show InChI InChI=1S/C29H26N4O7S2/c1-40-23-13-9-20(10-14-23)28(34)31-22-11-7-21(8-12-22)29(35)32-42(38,39)25-15-16-26(27(19-25)33(36)37)30-17-18-41-24-5-3-2-4-6-24/h2-16,19,30H,17-18H2,1H3,(H,31,34)(H,32,35) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Second Military Medical University
Curated by ChEMBL
| Assay Description
Binding affinity to Bcl-2 by competitive fluorescence polarization assay |
Bioorg Med Chem Lett 22: 39-44 (2011)
Article DOI: 10.1016/j.bmcl.2011.11.101
BindingDB Entry DOI: 10.7270/Q2MG7PX2 |
More data for this
Ligand-Target Pair | |
Apoptosis regulator Bcl-2
(Homo sapiens (Human)) | BDBM50362147
(CHEMBL1940666)Show SMILES CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(NCCSc2ccccc2)c(c1)[N+]([O-])=O |r| Show InChI InChI=1S/C34H32N6O7S2/c1-22(41)37-31(19-24-21-36-29-10-6-5-9-28(24)29)34(43)38-25-13-11-23(12-14-25)33(42)39-49(46,47)27-15-16-30(32(20-27)40(44)45)35-17-18-48-26-7-3-2-4-8-26/h2-16,20-21,31,35-36H,17-19H2,1H3,(H,37,41)(H,38,43)(H,39,42)/t31-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 830 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Second Military Medical University
Curated by ChEMBL
| Assay Description
Binding affinity to Bcl-2 by competitive fluorescence polarization assay |
Bioorg Med Chem Lett 22: 39-44 (2011)
Article DOI: 10.1016/j.bmcl.2011.11.101
BindingDB Entry DOI: 10.7270/Q2MG7PX2 |
More data for this
Ligand-Target Pair | |
Apoptosis regulator Bcl-2
(Homo sapiens (Human)) | BDBM50362152
(CHEMBL1940671)Show SMILES [O-][N+](=O)c1cc(ccc1NCCSc1ccccc1)S(=O)(=O)NC(=O)c1ccc(NC(=O)c2ccc(F)cc2)cc1 Show InChI InChI=1S/C28H23FN4O6S2/c29-21-10-6-19(7-11-21)27(34)31-22-12-8-20(9-13-22)28(35)32-41(38,39)24-14-15-25(26(18-24)33(36)37)30-16-17-40-23-4-2-1-3-5-23/h1-15,18,30H,16-17H2,(H,31,34)(H,32,35) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 930 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Second Military Medical University
Curated by ChEMBL
| Assay Description
Binding affinity to Bcl-2 by competitive fluorescence polarization assay |
Bioorg Med Chem Lett 22: 39-44 (2011)
Article DOI: 10.1016/j.bmcl.2011.11.101
BindingDB Entry DOI: 10.7270/Q2MG7PX2 |
More data for this
Ligand-Target Pair | |
Apoptosis regulator Bcl-2
(Homo sapiens (Human)) | BDBM50362150
(CHEMBL1940669)Show SMILES [O-][N+](=O)c1cc(ccc1NCCSc1ccccc1)S(=O)(=O)NC(=O)c1ccc(NC(=O)c2ccccc2F)cc1 Show InChI InChI=1S/C28H23FN4O6S2/c29-24-9-5-4-8-23(24)28(35)31-20-12-10-19(11-13-20)27(34)32-41(38,39)22-14-15-25(26(18-22)33(36)37)30-16-17-40-21-6-2-1-3-7-21/h1-15,18,30H,16-17H2,(H,31,35)(H,32,34) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.09E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Second Military Medical University
Curated by ChEMBL
| Assay Description
Binding affinity to Bcl-2 by competitive fluorescence polarization assay |
Bioorg Med Chem Lett 22: 39-44 (2011)
Article DOI: 10.1016/j.bmcl.2011.11.101
BindingDB Entry DOI: 10.7270/Q2MG7PX2 |
More data for this
Ligand-Target Pair | |
Bcl-2-like protein 1
(Homo sapiens (Human)) | BDBM50362141
(CHEMBL1940679)Show SMILES COc1ccc(cc1)C(=O)Nc1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(NCCSc2ccccc2)c(c1)[N+]([O-])=O Show InChI InChI=1S/C29H26N4O7S2/c1-40-23-13-9-20(10-14-23)28(34)31-22-11-7-21(8-12-22)29(35)32-42(38,39)25-15-16-26(27(19-25)33(36)37)30-17-18-41-24-5-3-2-4-6-24/h2-16,19,30H,17-18H2,1H3,(H,31,34)(H,32,35) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.27E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Second Military Medical University
Curated by ChEMBL
| Assay Description
Binding affinity to Bcl-xL by competitive fluorescence polarization assay |
Bioorg Med Chem Lett 22: 39-44 (2011)
Article DOI: 10.1016/j.bmcl.2011.11.101
BindingDB Entry DOI: 10.7270/Q2MG7PX2 |
More data for this
Ligand-Target Pair | |
Apoptosis regulator Bcl-2
(Homo sapiens (Human)) | BDBM50362151
(CHEMBL1940670)Show SMILES [O-][N+](=O)c1cc(ccc1NCCSc1ccccc1)S(=O)(=O)NC(=O)c1ccc(NC(=O)c2cccc(F)c2)cc1 Show InChI InChI=1S/C28H23FN4O6S2/c29-21-6-4-5-20(17-21)27(34)31-22-11-9-19(10-12-22)28(35)32-41(38,39)24-13-14-25(26(18-24)33(36)37)30-15-16-40-23-7-2-1-3-8-23/h1-14,17-18,30H,15-16H2,(H,31,34)(H,32,35) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Second Military Medical University
Curated by ChEMBL
| Assay Description
Binding affinity to Bcl-2 by competitive fluorescence polarization assay |
Bioorg Med Chem Lett 22: 39-44 (2011)
Article DOI: 10.1016/j.bmcl.2011.11.101
BindingDB Entry DOI: 10.7270/Q2MG7PX2 |
More data for this
Ligand-Target Pair | |
Bcl-2-like protein 1
(Homo sapiens (Human)) | BDBM50362153
(CHEMBL1940678)Show SMILES [O-][N+](=O)c1cc(ccc1NCCSc1ccccc1)S(=O)(=O)NC(=O)c1ccc(NC(=O)c2ccc(Br)cc2)cc1 Show InChI InChI=1S/C28H23BrN4O6S2/c29-21-10-6-19(7-11-21)27(34)31-22-12-8-20(9-13-22)28(35)32-41(38,39)24-14-15-25(26(18-24)33(36)37)30-16-17-40-23-4-2-1-3-5-23/h1-15,18,30H,16-17H2,(H,31,34)(H,32,35) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Second Military Medical University
Curated by ChEMBL
| Assay Description
Binding affinity to Bcl-xL by competitive fluorescence polarization assay |
Bioorg Med Chem Lett 22: 39-44 (2011)
Article DOI: 10.1016/j.bmcl.2011.11.101
BindingDB Entry DOI: 10.7270/Q2MG7PX2 |
More data for this
Ligand-Target Pair | |
Apoptosis regulator Bcl-2
(Homo sapiens (Human)) | BDBM50362149
(CHEMBL1940668)Show SMILES [O-][N+](=O)c1cc(ccc1NCCSc1ccccc1)S(=O)(=O)NC(=O)c1ccc(NC(=O)c2ccccc2)cc1 Show InChI InChI=1S/C28H24N4O6S2/c33-27(20-7-3-1-4-8-20)30-22-13-11-21(12-14-22)28(34)31-40(37,38)24-15-16-25(26(19-24)32(35)36)29-17-18-39-23-9-5-2-6-10-23/h1-16,19,29H,17-18H2,(H,30,33)(H,31,34) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.67E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Second Military Medical University
Curated by ChEMBL
| Assay Description
Binding affinity to Bcl-2 by competitive fluorescence polarization assay |
Bioorg Med Chem Lett 22: 39-44 (2011)
Article DOI: 10.1016/j.bmcl.2011.11.101
BindingDB Entry DOI: 10.7270/Q2MG7PX2 |
More data for this
Ligand-Target Pair | |
Bcl-2-like protein 1
(Homo sapiens (Human)) | BDBM50362150
(CHEMBL1940669)Show SMILES [O-][N+](=O)c1cc(ccc1NCCSc1ccccc1)S(=O)(=O)NC(=O)c1ccc(NC(=O)c2ccccc2F)cc1 Show InChI InChI=1S/C28H23FN4O6S2/c29-24-9-5-4-8-23(24)28(35)31-20-12-10-19(11-13-20)27(34)32-41(38,39)22-14-15-25(26(18-22)33(36)37)30-16-17-40-21-6-2-1-3-7-21/h1-15,18,30H,16-17H2,(H,31,35)(H,32,34) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.71E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Second Military Medical University
Curated by ChEMBL
| Assay Description
Binding affinity to Bcl-xL by competitive fluorescence polarization assay |
Bioorg Med Chem Lett 22: 39-44 (2011)
Article DOI: 10.1016/j.bmcl.2011.11.101
BindingDB Entry DOI: 10.7270/Q2MG7PX2 |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM50362143
(CHEMBL1940662)Show SMILES CC(C)C[C@H](NC(C)=O)C(=O)Nc1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(NCCSc2ccccc2)c(c1)[N+]([O-])=O |r| Show InChI InChI=1S/C29H33N5O7S2/c1-19(2)17-26(31-20(3)35)29(37)32-22-11-9-21(10-12-22)28(36)33-43(40,41)24-13-14-25(27(18-24)34(38)39)30-15-16-42-23-7-5-4-6-8-23/h4-14,18-19,26,30H,15-17H2,1-3H3,(H,31,35)(H,32,37)(H,33,36)/t26-/m0/s1 | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Second Military Medical University
Curated by ChEMBL
| Assay Description
Binding affinity to Mcl-1 by competitive fluorescence polarization assay |
Bioorg Med Chem Lett 22: 39-44 (2011)
Article DOI: 10.1016/j.bmcl.2011.11.101
BindingDB Entry DOI: 10.7270/Q2MG7PX2 |
More data for this
Ligand-Target Pair | |
Bcl-2-like protein 1
(Homo sapiens (Human)) | BDBM50362152
(CHEMBL1940671)Show SMILES [O-][N+](=O)c1cc(ccc1NCCSc1ccccc1)S(=O)(=O)NC(=O)c1ccc(NC(=O)c2ccc(F)cc2)cc1 Show InChI InChI=1S/C28H23FN4O6S2/c29-21-10-6-19(7-11-21)27(34)31-22-12-8-20(9-13-22)28(35)32-41(38,39)24-14-15-25(26(18-24)33(36)37)30-16-17-40-23-4-2-1-3-5-23/h1-15,18,30H,16-17H2,(H,31,34)(H,32,35) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.94E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Second Military Medical University
Curated by ChEMBL
| Assay Description
Binding affinity to Bcl-xL by competitive fluorescence polarization assay |
Bioorg Med Chem Lett 22: 39-44 (2011)
Article DOI: 10.1016/j.bmcl.2011.11.101
BindingDB Entry DOI: 10.7270/Q2MG7PX2 |
More data for this
Ligand-Target Pair | |
Bcl-2-like protein 1
(Homo sapiens (Human)) | BDBM50362151
(CHEMBL1940670)Show SMILES [O-][N+](=O)c1cc(ccc1NCCSc1ccccc1)S(=O)(=O)NC(=O)c1ccc(NC(=O)c2cccc(F)c2)cc1 Show InChI InChI=1S/C28H23FN4O6S2/c29-21-6-4-5-20(17-21)27(34)31-22-11-9-19(10-12-22)28(35)32-41(38,39)24-13-14-25(26(18-24)33(36)37)30-15-16-40-23-7-2-1-3-8-23/h1-14,17-18,30H,15-16H2,(H,31,34)(H,32,35) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.08E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Second Military Medical University
Curated by ChEMBL
| Assay Description
Binding affinity to Bcl-xL by competitive fluorescence polarization assay |
Bioorg Med Chem Lett 22: 39-44 (2011)
Article DOI: 10.1016/j.bmcl.2011.11.101
BindingDB Entry DOI: 10.7270/Q2MG7PX2 |
More data for this
Ligand-Target Pair | |
Bcl-2-like protein 1
(Homo sapiens (Human)) | BDBM50362142
(CHEMBL1940680)Show SMILES [O-][N+](=O)c1cc(ccc1NCCSc1ccccc1)S(=O)(=O)NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1 Show InChI InChI=1S/C27H24N4O7S3/c32-27(20-11-13-21(14-12-20)29-40(35,36)23-9-5-2-6-10-23)30-41(37,38)24-15-16-25(26(19-24)31(33)34)28-17-18-39-22-7-3-1-4-8-22/h1-16,19,28-29H,17-18H2,(H,30,32) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.29E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Second Military Medical University
Curated by ChEMBL
| Assay Description
Binding affinity to Bcl-xL by competitive fluorescence polarization assay |
Bioorg Med Chem Lett 22: 39-44 (2011)
Article DOI: 10.1016/j.bmcl.2011.11.101
BindingDB Entry DOI: 10.7270/Q2MG7PX2 |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM50362144
(CHEMBL1940663)Show SMILES CC[C@H](C)[C@H](NC(C)=O)C(=O)Nc1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(NCCSc2ccccc2)c(c1)[N+]([O-])=O |r| Show InChI InChI=1S/C29H33N5O7S2/c1-4-19(2)27(31-20(3)35)29(37)32-22-12-10-21(11-13-22)28(36)33-43(40,41)24-14-15-25(26(18-24)34(38)39)30-16-17-42-23-8-6-5-7-9-23/h5-15,18-19,27,30H,4,16-17H2,1-3H3,(H,31,35)(H,32,37)(H,33,36)/t19-,27-/m0/s1 | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.29E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Second Military Medical University
Curated by ChEMBL
| Assay Description
Binding affinity to Mcl-1 by competitive fluorescence polarization assay |
Bioorg Med Chem Lett 22: 39-44 (2011)
Article DOI: 10.1016/j.bmcl.2011.11.101
BindingDB Entry DOI: 10.7270/Q2MG7PX2 |
More data for this
Ligand-Target Pair | |
Bcl-2-like protein 1
(Homo sapiens (Human)) | BDBM50362149
(CHEMBL1940668)Show SMILES [O-][N+](=O)c1cc(ccc1NCCSc1ccccc1)S(=O)(=O)NC(=O)c1ccc(NC(=O)c2ccccc2)cc1 Show InChI InChI=1S/C28H24N4O6S2/c33-27(20-7-3-1-4-8-20)30-22-13-11-21(12-14-22)28(34)31-40(37,38)24-15-16-25(26(19-24)32(35)36)29-17-18-39-23-9-5-2-6-10-23/h1-16,19,29H,17-18H2,(H,30,33)(H,31,34) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.51E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Second Military Medical University
Curated by ChEMBL
| Assay Description
Binding affinity to Bcl-xL by competitive fluorescence polarization assay |
Bioorg Med Chem Lett 22: 39-44 (2011)
Article DOI: 10.1016/j.bmcl.2011.11.101
BindingDB Entry DOI: 10.7270/Q2MG7PX2 |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM50362152
(CHEMBL1940671)Show SMILES [O-][N+](=O)c1cc(ccc1NCCSc1ccccc1)S(=O)(=O)NC(=O)c1ccc(NC(=O)c2ccc(F)cc2)cc1 Show InChI InChI=1S/C28H23FN4O6S2/c29-21-10-6-19(7-11-21)27(34)31-22-12-8-20(9-13-22)28(35)32-41(38,39)24-14-15-25(26(18-24)33(36)37)30-16-17-40-23-4-2-1-3-5-23/h1-15,18,30H,16-17H2,(H,31,34)(H,32,35) | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.54E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Second Military Medical University
Curated by ChEMBL
| Assay Description
Binding affinity to Mcl-1 by competitive fluorescence polarization assay |
Bioorg Med Chem Lett 22: 39-44 (2011)
Article DOI: 10.1016/j.bmcl.2011.11.101
BindingDB Entry DOI: 10.7270/Q2MG7PX2 |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM50362150
(CHEMBL1940669)Show SMILES [O-][N+](=O)c1cc(ccc1NCCSc1ccccc1)S(=O)(=O)NC(=O)c1ccc(NC(=O)c2ccccc2F)cc1 Show InChI InChI=1S/C28H23FN4O6S2/c29-24-9-5-4-8-23(24)28(35)31-20-12-10-19(11-13-20)27(34)32-41(38,39)22-14-15-25(26(18-22)33(36)37)30-16-17-40-21-6-2-1-3-7-21/h1-15,18,30H,16-17H2,(H,31,35)(H,32,34) | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.02E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Second Military Medical University
Curated by ChEMBL
| Assay Description
Binding affinity to Mcl-1 by competitive fluorescence polarization assay |
Bioorg Med Chem Lett 22: 39-44 (2011)
Article DOI: 10.1016/j.bmcl.2011.11.101
BindingDB Entry DOI: 10.7270/Q2MG7PX2 |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM50362151
(CHEMBL1940670)Show SMILES [O-][N+](=O)c1cc(ccc1NCCSc1ccccc1)S(=O)(=O)NC(=O)c1ccc(NC(=O)c2cccc(F)c2)cc1 Show InChI InChI=1S/C28H23FN4O6S2/c29-21-6-4-5-20(17-21)27(34)31-22-11-9-19(10-12-22)28(35)32-41(38,39)24-13-14-25(26(18-24)33(36)37)30-15-16-40-23-7-2-1-3-8-23/h1-14,17-18,30H,15-16H2,(H,31,34)(H,32,35) | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.09E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Second Military Medical University
Curated by ChEMBL
| Assay Description
Binding affinity to Mcl-1 by competitive fluorescence polarization assay |
Bioorg Med Chem Lett 22: 39-44 (2011)
Article DOI: 10.1016/j.bmcl.2011.11.101
BindingDB Entry DOI: 10.7270/Q2MG7PX2 |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM50362145
(CHEMBL1940664)Show SMILES CSCC[C@H](NC(C)=O)C(=O)Nc1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(NCCSc2ccccc2)c(c1)[N+]([O-])=O |r| Show InChI InChI=1S/C28H31N5O7S3/c1-19(34)30-25(14-16-41-2)28(36)31-21-10-8-20(9-11-21)27(35)32-43(39,40)23-12-13-24(26(18-23)33(37)38)29-15-17-42-22-6-4-3-5-7-22/h3-13,18,25,29H,14-17H2,1-2H3,(H,30,34)(H,31,36)(H,32,35)/t25-/m0/s1 | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.11E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Second Military Medical University
Curated by ChEMBL
| Assay Description
Binding affinity to Mcl-1 by competitive fluorescence polarization assay |
Bioorg Med Chem Lett 22: 39-44 (2011)
Article DOI: 10.1016/j.bmcl.2011.11.101
BindingDB Entry DOI: 10.7270/Q2MG7PX2 |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM50362146
(CHEMBL1940665)Show SMILES CC(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(NCCSc2ccccc2)c(c1)[N+]([O-])=O |r| Show InChI InChI=1S/C32H31N5O7S2/c1-22(38)34-29(20-23-8-4-2-5-9-23)32(40)35-25-14-12-24(13-15-25)31(39)36-46(43,44)27-16-17-28(30(21-27)37(41)42)33-18-19-45-26-10-6-3-7-11-26/h2-17,21,29,33H,18-20H2,1H3,(H,34,38)(H,35,40)(H,36,39)/t29-/m0/s1 | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.11E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Second Military Medical University
Curated by ChEMBL
| Assay Description
Binding affinity to Mcl-1 by competitive fluorescence polarization assay |
Bioorg Med Chem Lett 22: 39-44 (2011)
Article DOI: 10.1016/j.bmcl.2011.11.101
BindingDB Entry DOI: 10.7270/Q2MG7PX2 |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM50362141
(CHEMBL1940679)Show SMILES COc1ccc(cc1)C(=O)Nc1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(NCCSc2ccccc2)c(c1)[N+]([O-])=O Show InChI InChI=1S/C29H26N4O7S2/c1-40-23-13-9-20(10-14-23)28(34)31-22-11-7-21(8-12-22)29(35)32-42(38,39)25-15-16-26(27(19-25)33(36)37)30-17-18-41-24-5-3-2-4-6-24/h2-16,19,30H,17-18H2,1H3,(H,31,34)(H,32,35) | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.11E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Second Military Medical University
Curated by ChEMBL
| Assay Description
Binding affinity to Mcl-1 by competitive fluorescence polarization assay |
Bioorg Med Chem Lett 22: 39-44 (2011)
Article DOI: 10.1016/j.bmcl.2011.11.101
BindingDB Entry DOI: 10.7270/Q2MG7PX2 |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM50362148
(CHEMBL1940667)Show SMILES CC(C)[C@H](NC(C)=O)C(=O)Nc1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(NCCSc2ccccc2)c(c1)[N+]([O-])=O |r| Show InChI InChI=1S/C28H31N5O7S2/c1-18(2)26(30-19(3)34)28(36)31-21-11-9-20(10-12-21)27(35)32-42(39,40)23-13-14-24(25(17-23)33(37)38)29-15-16-41-22-7-5-4-6-8-22/h4-14,17-18,26,29H,15-16H2,1-3H3,(H,30,34)(H,31,36)(H,32,35)/t26-/m0/s1 | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.27E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Second Military Medical University
Curated by ChEMBL
| Assay Description
Binding affinity to Mcl-1 by competitive fluorescence polarization assay |
Bioorg Med Chem Lett 22: 39-44 (2011)
Article DOI: 10.1016/j.bmcl.2011.11.101
BindingDB Entry DOI: 10.7270/Q2MG7PX2 |
More data for this
Ligand-Target Pair | |
Apoptosis regulator Bcl-2
(Homo sapiens (Human)) | BDBM50362144
(CHEMBL1940663)Show SMILES CC[C@H](C)[C@H](NC(C)=O)C(=O)Nc1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(NCCSc2ccccc2)c(c1)[N+]([O-])=O |r| Show InChI InChI=1S/C29H33N5O7S2/c1-4-19(2)27(31-20(3)35)29(37)32-22-12-10-21(11-13-22)28(36)33-43(40,41)24-14-15-25(26(18-24)34(38)39)30-16-17-42-23-8-6-5-7-9-23/h5-15,18-19,27,30H,4,16-17H2,1-3H3,(H,31,35)(H,32,37)(H,33,36)/t19-,27-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.38E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Second Military Medical University
Curated by ChEMBL
| Assay Description
Binding affinity to Bcl-2 by competitive fluorescence polarization assay |
Bioorg Med Chem Lett 22: 39-44 (2011)
Article DOI: 10.1016/j.bmcl.2011.11.101
BindingDB Entry DOI: 10.7270/Q2MG7PX2 |
More data for this
Ligand-Target Pair | |
Apoptosis regulator Bcl-2
(Homo sapiens (Human)) | BDBM50362146
(CHEMBL1940665)Show SMILES CC(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(NCCSc2ccccc2)c(c1)[N+]([O-])=O |r| Show InChI InChI=1S/C32H31N5O7S2/c1-22(38)34-29(20-23-8-4-2-5-9-23)32(40)35-25-14-12-24(13-15-25)31(39)36-46(43,44)27-16-17-28(30(21-27)37(41)42)33-18-19-45-26-10-6-3-7-11-26/h2-17,21,29,33H,18-20H2,1H3,(H,34,38)(H,35,40)(H,36,39)/t29-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.39E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Second Military Medical University
Curated by ChEMBL
| Assay Description
Binding affinity to Bcl-2 by competitive fluorescence polarization assay |
Bioorg Med Chem Lett 22: 39-44 (2011)
Article DOI: 10.1016/j.bmcl.2011.11.101
BindingDB Entry DOI: 10.7270/Q2MG7PX2 |
More data for this
Ligand-Target Pair | |
Bcl-2-like protein 1
(Homo sapiens (Human)) | BDBM50362146
(CHEMBL1940665)Show SMILES CC(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(NCCSc2ccccc2)c(c1)[N+]([O-])=O |r| Show InChI InChI=1S/C32H31N5O7S2/c1-22(38)34-29(20-23-8-4-2-5-9-23)32(40)35-25-14-12-24(13-15-25)31(39)36-46(43,44)27-16-17-28(30(21-27)37(41)42)33-18-19-45-26-10-6-3-7-11-26/h2-17,21,29,33H,18-20H2,1H3,(H,34,38)(H,35,40)(H,36,39)/t29-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.42E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Second Military Medical University
Curated by ChEMBL
| Assay Description
Binding affinity to Bcl-xL by competitive fluorescence polarization assay |
Bioorg Med Chem Lett 22: 39-44 (2011)
Article DOI: 10.1016/j.bmcl.2011.11.101
BindingDB Entry DOI: 10.7270/Q2MG7PX2 |
More data for this
Ligand-Target Pair | |
Apoptosis regulator Bcl-2
(Homo sapiens (Human)) | BDBM50362145
(CHEMBL1940664)Show SMILES CSCC[C@H](NC(C)=O)C(=O)Nc1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(NCCSc2ccccc2)c(c1)[N+]([O-])=O |r| Show InChI InChI=1S/C28H31N5O7S3/c1-19(34)30-25(14-16-41-2)28(36)31-21-10-8-20(9-11-21)27(35)32-43(39,40)23-12-13-24(26(18-23)33(37)38)29-15-17-42-22-6-4-3-5-7-22/h3-13,18,25,29H,14-17H2,1-2H3,(H,30,34)(H,31,36)(H,32,35)/t25-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.52E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Second Military Medical University
Curated by ChEMBL
| Assay Description
Binding affinity to Bcl-2 by competitive fluorescence polarization assay |
Bioorg Med Chem Lett 22: 39-44 (2011)
Article DOI: 10.1016/j.bmcl.2011.11.101
BindingDB Entry DOI: 10.7270/Q2MG7PX2 |
More data for this
Ligand-Target Pair | |
Apoptosis regulator Bcl-2
(Homo sapiens (Human)) | BDBM50362143
(CHEMBL1940662)Show SMILES CC(C)C[C@H](NC(C)=O)C(=O)Nc1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(NCCSc2ccccc2)c(c1)[N+]([O-])=O |r| Show InChI InChI=1S/C29H33N5O7S2/c1-19(2)17-26(31-20(3)35)29(37)32-22-11-9-21(10-12-22)28(36)33-43(40,41)24-13-14-25(27(18-24)34(38)39)30-15-16-42-23-7-5-4-6-8-23/h4-14,18-19,26,30H,15-17H2,1-3H3,(H,31,35)(H,32,37)(H,33,36)/t26-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.78E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Second Military Medical University
Curated by ChEMBL
| Assay Description
Binding affinity to Bcl-2 by competitive fluorescence polarization assay |
Bioorg Med Chem Lett 22: 39-44 (2011)
Article DOI: 10.1016/j.bmcl.2011.11.101
BindingDB Entry DOI: 10.7270/Q2MG7PX2 |
More data for this
Ligand-Target Pair | |
Bcl-2-like protein 1
(Homo sapiens (Human)) | BDBM50362145
(CHEMBL1940664)Show SMILES CSCC[C@H](NC(C)=O)C(=O)Nc1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(NCCSc2ccccc2)c(c1)[N+]([O-])=O |r| Show InChI InChI=1S/C28H31N5O7S3/c1-19(34)30-25(14-16-41-2)28(36)31-21-10-8-20(9-11-21)27(35)32-43(39,40)23-12-13-24(26(18-23)33(37)38)29-15-17-42-22-6-4-3-5-7-22/h3-13,18,25,29H,14-17H2,1-2H3,(H,30,34)(H,31,36)(H,32,35)/t25-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.91E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Second Military Medical University
Curated by ChEMBL
| Assay Description
Binding affinity to Bcl-xL by competitive fluorescence polarization assay |
Bioorg Med Chem Lett 22: 39-44 (2011)
Article DOI: 10.1016/j.bmcl.2011.11.101
BindingDB Entry DOI: 10.7270/Q2MG7PX2 |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM50362147
(CHEMBL1940666)Show SMILES CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(NCCSc2ccccc2)c(c1)[N+]([O-])=O |r| Show InChI InChI=1S/C34H32N6O7S2/c1-22(41)37-31(19-24-21-36-29-10-6-5-9-28(24)29)34(43)38-25-13-11-23(12-14-25)33(42)39-49(46,47)27-15-16-30(32(20-27)40(44)45)35-17-18-48-26-7-3-2-4-8-26/h2-16,20-21,31,35-36H,17-19H2,1H3,(H,37,41)(H,38,43)(H,39,42)/t31-/m0/s1 | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4.03E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Second Military Medical University
Curated by ChEMBL
| Assay Description
Binding affinity to Mcl-1 by competitive fluorescence polarization assay |
Bioorg Med Chem Lett 22: 39-44 (2011)
Article DOI: 10.1016/j.bmcl.2011.11.101
BindingDB Entry DOI: 10.7270/Q2MG7PX2 |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM50362153
(CHEMBL1940678)Show SMILES [O-][N+](=O)c1cc(ccc1NCCSc1ccccc1)S(=O)(=O)NC(=O)c1ccc(NC(=O)c2ccc(Br)cc2)cc1 Show InChI InChI=1S/C28H23BrN4O6S2/c29-21-10-6-19(7-11-21)27(34)31-22-12-8-20(9-13-22)28(35)32-41(38,39)24-14-15-25(26(18-24)33(36)37)30-16-17-40-23-4-2-1-3-5-23/h1-15,18,30H,16-17H2,(H,31,34)(H,32,35) | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Second Military Medical University
Curated by ChEMBL
| Assay Description
Binding affinity to Mcl-1 by competitive fluorescence polarization assay |
Bioorg Med Chem Lett 22: 39-44 (2011)
Article DOI: 10.1016/j.bmcl.2011.11.101
BindingDB Entry DOI: 10.7270/Q2MG7PX2 |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM50362149
(CHEMBL1940668)Show SMILES [O-][N+](=O)c1cc(ccc1NCCSc1ccccc1)S(=O)(=O)NC(=O)c1ccc(NC(=O)c2ccccc2)cc1 Show InChI InChI=1S/C28H24N4O6S2/c33-27(20-7-3-1-4-8-20)30-22-13-11-21(12-14-22)28(34)31-40(37,38)24-15-16-25(26(19-24)32(35)36)29-17-18-39-23-9-5-2-6-10-23/h1-16,19,29H,17-18H2,(H,30,33)(H,31,34) | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4.16E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Second Military Medical University
Curated by ChEMBL
| Assay Description
Binding affinity to Mcl-1 by competitive fluorescence polarization assay |
Bioorg Med Chem Lett 22: 39-44 (2011)
Article DOI: 10.1016/j.bmcl.2011.11.101
BindingDB Entry DOI: 10.7270/Q2MG7PX2 |
More data for this
Ligand-Target Pair | |
Bcl-2-like protein 1
(Homo sapiens (Human)) | BDBM50362144
(CHEMBL1940663)Show SMILES CC[C@H](C)[C@H](NC(C)=O)C(=O)Nc1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(NCCSc2ccccc2)c(c1)[N+]([O-])=O |r| Show InChI InChI=1S/C29H33N5O7S2/c1-4-19(2)27(31-20(3)35)29(37)32-22-12-10-21(11-13-22)28(36)33-43(40,41)24-14-15-25(26(18-24)34(38)39)30-16-17-42-23-8-6-5-7-9-23/h5-15,18-19,27,30H,4,16-17H2,1-3H3,(H,31,35)(H,32,37)(H,33,36)/t19-,27-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4.84E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Second Military Medical University
Curated by ChEMBL
| Assay Description
Binding affinity to Bcl-xL by competitive fluorescence polarization assay |
Bioorg Med Chem Lett 22: 39-44 (2011)
Article DOI: 10.1016/j.bmcl.2011.11.101
BindingDB Entry DOI: 10.7270/Q2MG7PX2 |
More data for this
Ligand-Target Pair | |
Bcl-2-like protein 1
(Homo sapiens (Human)) | BDBM50362143
(CHEMBL1940662)Show SMILES CC(C)C[C@H](NC(C)=O)C(=O)Nc1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(NCCSc2ccccc2)c(c1)[N+]([O-])=O |r| Show InChI InChI=1S/C29H33N5O7S2/c1-19(2)17-26(31-20(3)35)29(37)32-22-11-9-21(10-12-22)28(36)33-43(40,41)24-13-14-25(27(18-24)34(38)39)30-15-16-42-23-7-5-4-6-8-23/h4-14,18-19,26,30H,15-17H2,1-3H3,(H,31,35)(H,32,37)(H,33,36)/t26-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 5.82E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Second Military Medical University
Curated by ChEMBL
| Assay Description
Binding affinity to Bcl-xL by competitive fluorescence polarization assay |
Bioorg Med Chem Lett 22: 39-44 (2011)
Article DOI: 10.1016/j.bmcl.2011.11.101
BindingDB Entry DOI: 10.7270/Q2MG7PX2 |
More data for this
Ligand-Target Pair | |
Bcl-2-like protein 1
(Homo sapiens (Human)) | BDBM50362147
(CHEMBL1940666)Show SMILES CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(NCCSc2ccccc2)c(c1)[N+]([O-])=O |r| Show InChI InChI=1S/C34H32N6O7S2/c1-22(41)37-31(19-24-21-36-29-10-6-5-9-28(24)29)34(43)38-25-13-11-23(12-14-25)33(42)39-49(46,47)27-15-16-30(32(20-27)40(44)45)35-17-18-48-26-7-3-2-4-8-26/h2-16,20-21,31,35-36H,17-19H2,1H3,(H,37,41)(H,38,43)(H,39,42)/t31-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 6.45E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Second Military Medical University
Curated by ChEMBL
| Assay Description
Binding affinity to Bcl-xL by competitive fluorescence polarization assay |
Bioorg Med Chem Lett 22: 39-44 (2011)
Article DOI: 10.1016/j.bmcl.2011.11.101
BindingDB Entry DOI: 10.7270/Q2MG7PX2 |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM50362142
(CHEMBL1940680)Show SMILES [O-][N+](=O)c1cc(ccc1NCCSc1ccccc1)S(=O)(=O)NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1 Show InChI InChI=1S/C27H24N4O7S3/c32-27(20-11-13-21(14-12-20)29-40(35,36)23-9-5-2-6-10-23)30-41(37,38)24-15-16-25(26(19-24)31(33)34)28-17-18-39-22-7-3-1-4-8-22/h1-16,19,28-29H,17-18H2,(H,30,32) | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 7.22E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Second Military Medical University
Curated by ChEMBL
| Assay Description
Binding affinity to Mcl-1 by competitive fluorescence polarization assay |
Bioorg Med Chem Lett 22: 39-44 (2011)
Article DOI: 10.1016/j.bmcl.2011.11.101
BindingDB Entry DOI: 10.7270/Q2MG7PX2 |
More data for this
Ligand-Target Pair | |
Apoptosis regulator Bcl-2
(Homo sapiens (Human)) | BDBM50362148
(CHEMBL1940667)Show SMILES CC(C)[C@H](NC(C)=O)C(=O)Nc1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(NCCSc2ccccc2)c(c1)[N+]([O-])=O |r| Show InChI InChI=1S/C28H31N5O7S2/c1-18(2)26(30-19(3)34)28(36)31-21-11-9-20(10-12-21)27(35)32-42(39,40)23-13-14-24(25(17-23)33(37)38)29-15-16-41-22-7-5-4-6-8-22/h4-14,17-18,26,29H,15-16H2,1-3H3,(H,30,34)(H,31,36)(H,32,35)/t26-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 9.49E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Second Military Medical University
Curated by ChEMBL
| Assay Description
Binding affinity to Bcl-2 by competitive fluorescence polarization assay |
Bioorg Med Chem Lett 22: 39-44 (2011)
Article DOI: 10.1016/j.bmcl.2011.11.101
BindingDB Entry DOI: 10.7270/Q2MG7PX2 |
More data for this
Ligand-Target Pair | |
Apoptosis regulator Bcl-2
(Homo sapiens (Human)) | BDBM50362142
(CHEMBL1940680)Show SMILES [O-][N+](=O)c1cc(ccc1NCCSc1ccccc1)S(=O)(=O)NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1 Show InChI InChI=1S/C27H24N4O7S3/c32-27(20-11-13-21(14-12-20)29-40(35,36)23-9-5-2-6-10-23)30-41(37,38)24-15-16-25(26(19-24)31(33)34)28-17-18-39-22-7-3-1-4-8-22/h1-16,19,28-29H,17-18H2,(H,30,32) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.52E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Second Military Medical University
Curated by ChEMBL
| Assay Description
Binding affinity to Bcl-2 by competitive fluorescence polarization assay |
Bioorg Med Chem Lett 22: 39-44 (2011)
Article DOI: 10.1016/j.bmcl.2011.11.101
BindingDB Entry DOI: 10.7270/Q2MG7PX2 |
More data for this
Ligand-Target Pair | |
Bcl-2-like protein 1
(Homo sapiens (Human)) | BDBM50362148
(CHEMBL1940667)Show SMILES CC(C)[C@H](NC(C)=O)C(=O)Nc1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(NCCSc2ccccc2)c(c1)[N+]([O-])=O |r| Show InChI InChI=1S/C28H31N5O7S2/c1-18(2)26(30-19(3)34)28(36)31-21-11-9-20(10-12-21)27(35)32-42(39,40)23-13-14-24(25(17-23)33(37)38)29-15-16-41-22-7-5-4-6-8-22/h4-14,17-18,26,29H,15-16H2,1-3H3,(H,30,34)(H,31,36)(H,32,35)/t26-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.64E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Second Military Medical University
Curated by ChEMBL
| Assay Description
Binding affinity to Bcl-xL by competitive fluorescence polarization assay |
Bioorg Med Chem Lett 22: 39-44 (2011)
Article DOI: 10.1016/j.bmcl.2011.11.101
BindingDB Entry DOI: 10.7270/Q2MG7PX2 |
More data for this
Ligand-Target Pair | |
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM21447
(4-(4-{[2-(4-chlorophenyl)phenyl]methyl}piperazin-1...)Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1 |r| Show InChI InChI=1S/C42H45ClN6O5S2/c1-46(2)23-22-35(30-55-37-9-4-3-5-10-37)44-40-21-20-38(28-41(40)49(51)52)56(53,54)45-42(50)32-14-18-36(19-15-32)48-26-24-47(25-27-48)29-33-8-6-7-11-39(33)31-12-16-34(43)17-13-31/h3-21,28,35,44H,22-27,29-30H2,1-2H3,(H,45,50)/t35-/m1/s1 | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Second Military Medical University
Curated by ChEMBL
| Assay Description
Binding affinity to Mcl-1 by competitive fluorescence polarization assay |
Bioorg Med Chem Lett 22: 39-44 (2011)
Article DOI: 10.1016/j.bmcl.2011.11.101
BindingDB Entry DOI: 10.7270/Q2MG7PX2 |
More data for this
Ligand-Target Pair | |
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