Found 2 hits Enz. Inhib. hit(s) with Target = 'Bcl-2-like protein 1' and Ligand = 'BDBM50330252' 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-like protein 1
(Homo sapiens (Human)) | BDBM50330252
(5,5'-Bis(cyclopentylmethyl)-6,6',7,7'-tetrahydroxy...)Show SMILES Oc1cc2c(O)c(-c3c(O)c4cc(O)c(O)c(=CC5CCCC5)c4c(O)c3=C)c(=C)c(O)c2c(=CC2CCCC2)c1O |w:34.38,17.17,(-10.24,1.31,;-8.91,.55,;-7.57,1.33,;-6.23,.55,;-4.9,1.33,;-4.9,2.87,;-3.55,.55,;-2.22,1.32,;-.89,.54,;-.89,-1,;.44,1.3,;1.76,.52,;3.11,1.27,;4.43,.49,;3.12,2.82,;4.47,3.58,;1.79,3.61,;1.8,5.15,;3.14,5.91,;4.38,5,;5.63,5.9,;5.16,7.36,;3.62,7.37,;.45,2.85,;-.88,3.62,;-.88,5.16,;-2.22,2.85,;-3.56,3.62,;-3.55,-1,;-2.22,-1.77,;-4.89,-1.77,;-4.89,-3.31,;-6.23,-1,;-7.57,-1.77,;-7.57,-3.31,;-8.91,-4.08,;-10.18,-3.19,;-11.41,-4.12,;-10.91,-5.57,;-9.37,-5.55,;-8.91,-1,;-10.24,-1.77,)| Show InChI InChI=1S/C34H34O8/c1-15-25(33(41)21-13-23(35)31(39)19(27(21)29(15)37)11-17-7-3-4-8-17)26-16(2)30(38)28-20(12-18-9-5-6-10-18)32(40)24(36)14-22(28)34(26)42/h11-14,17-18,35-42H,1-10H2 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Sanford-Burnham Medical Research Institute
Curated by ChEMBL
| Assay Description
Displacement of F-BakBH3 from Bcl-xL after 30 mins by fluorescence polarization assay |
J Med Chem 53: 8000-11 (2010)
Article DOI: 10.1021/jm100746q
BindingDB Entry DOI: 10.7270/Q22N52H7 |
More data for this
Ligand-Target Pair | |
Bcl-2-like protein 1
(Homo sapiens (Human)) | BDBM50330252
(5,5'-Bis(cyclopentylmethyl)-6,6',7,7'-tetrahydroxy...)Show SMILES Oc1cc2c(O)c(-c3c(O)c4cc(O)c(O)c(=CC5CCCC5)c4c(O)c3=C)c(=C)c(O)c2c(=CC2CCCC2)c1O |w:34.38,17.17,(-10.24,1.31,;-8.91,.55,;-7.57,1.33,;-6.23,.55,;-4.9,1.33,;-4.9,2.87,;-3.55,.55,;-2.22,1.32,;-.89,.54,;-.89,-1,;.44,1.3,;1.76,.52,;3.11,1.27,;4.43,.49,;3.12,2.82,;4.47,3.58,;1.79,3.61,;1.8,5.15,;3.14,5.91,;4.38,5,;5.63,5.9,;5.16,7.36,;3.62,7.37,;.45,2.85,;-.88,3.62,;-.88,5.16,;-2.22,2.85,;-3.56,3.62,;-3.55,-1,;-2.22,-1.77,;-4.89,-1.77,;-4.89,-3.31,;-6.23,-1,;-7.57,-1.77,;-7.57,-3.31,;-8.91,-4.08,;-10.18,-3.19,;-11.41,-4.12,;-10.91,-5.57,;-9.37,-5.55,;-8.91,-1,;-10.24,-1.77,)| Show InChI InChI=1S/C34H34O8/c1-15-25(33(41)21-13-23(35)31(39)19(27(21)29(15)37)11-17-7-3-4-8-17)26-16(2)30(38)28-20(12-18-9-5-6-10-18)32(40)24(36)14-22(28)34(26)42/h11-14,17-18,35-42H,1-10H2 | 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 | 2.99E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Sanford-Burnham Medical Research Institute
Curated by ChEMBL
| Assay Description
Displacement of F-BakBH3 from Bcl-xL after 30 mins by fluorescence polarization assay |
J Med Chem 53: 8000-11 (2010)
Article DOI: 10.1021/jm100746q
BindingDB Entry DOI: 10.7270/Q22N52H7 |
More data for this
Ligand-Target Pair | |
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