Found 4 hits Enz. Inhib. hit(s) with Target = 'Bcl-2-related protein A1' and Ligand = 'BDBM50511138' Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kJ/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
Bcl-2-related protein A1
(Homo sapiens (Human)) | BDBM50511138
(CHEMBL4576854)Show SMILES CC(C)(C)c1ccc(CN2CCN(CC2)S(=O)(=O)Nc2ccc(SCCc3ccccc3)cc2C(O)=O)cc1 Show InChI InChI=1S/C30H37N3O4S2/c1-30(2,3)25-11-9-24(10-12-25)22-32-16-18-33(19-17-32)39(36,37)31-28-14-13-26(21-27(28)29(34)35)38-20-15-23-7-5-4-6-8-23/h4-14,21,31H,15-20,22H2,1-3H3,(H,34,35) | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
PDB
UniChem
| Article
PubMed
| 100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Chemistry
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal His6-tagged human Bfl-1 (1 to 151 residues), expressed in Escherichia coli Rosetta2 DE3 by fluorescent labeled FAM-Bid pepti... |
J Med Chem 63: 2489-2510 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01442
BindingDB Entry DOI: 10.7270/Q2542RW2 |
More data for this
Ligand-Target Pair | |
Bcl-2-related protein A1
(Homo sapiens (Human)) | BDBM50511138
(CHEMBL4576854)Show SMILES CC(C)(C)c1ccc(CN2CCN(CC2)S(=O)(=O)Nc2ccc(SCCc3ccccc3)cc2C(O)=O)cc1 Show InChI InChI=1S/C30H37N3O4S2/c1-30(2,3)25-11-9-24(10-12-25)22-32-16-18-33(19-17-32)39(36,37)31-28-14-13-26(21-27(28)29(34)35)38-20-15-23-7-5-4-6-8-23/h4-14,21,31H,15-20,22H2,1-3H3,(H,34,35) | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
| Article
PubMed
| 100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2022.114327
BindingDB Entry DOI: 10.7270/Q2NP28GR |
More data for this
Ligand-Target Pair | |
Bcl-2-related protein A1
(Homo sapiens (Human)) | BDBM50511138
(CHEMBL4576854)Show SMILES CC(C)(C)c1ccc(CN2CCN(CC2)S(=O)(=O)Nc2ccc(SCCc3ccccc3)cc2C(O)=O)cc1 Show InChI InChI=1S/C30H37N3O4S2/c1-30(2,3)25-11-9-24(10-12-25)22-32-16-18-33(19-17-32)39(36,37)31-28-14-13-26(21-27(28)29(34)35)38-20-15-23-7-5-4-6-8-23/h4-14,21,31H,15-20,22H2,1-3H3,(H,34,35) | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
| Article
PubMed
| 680 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2022.114327
BindingDB Entry DOI: 10.7270/Q2NP28GR |
More data for this
Ligand-Target Pair | |
Bcl-2-related protein A1
(Homo sapiens (Human)) | BDBM50511138
(CHEMBL4576854)Show SMILES CC(C)(C)c1ccc(CN2CCN(CC2)S(=O)(=O)Nc2ccc(SCCc3ccccc3)cc2C(O)=O)cc1 Show InChI InChI=1S/C30H37N3O4S2/c1-30(2,3)25-11-9-24(10-12-25)22-32-16-18-33(19-17-32)39(36,37)31-28-14-13-26(21-27(28)29(34)35)38-20-15-23-7-5-4-6-8-23/h4-14,21,31H,15-20,22H2,1-3H3,(H,34,35) | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
| Article
PubMed
| n/a | n/a | n/a | 1.27E+3 | n/a | n/a | n/a | n/a | n/a |
National Institute of Chemistry
Curated by ChEMBL
| Assay Description
Binding affinity to immobilized biotin-labeled and N-terminal His6-tagged human Bfl-1 (1 to 151 residues), expressed in Escherichia coli Rosetta2 DE3... |
J Med Chem 63: 2489-2510 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01442
BindingDB Entry DOI: 10.7270/Q2542RW2 |
More data for this
Ligand-Target Pair | |
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