Found 4 hits in this display 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 |
|---|
Induced myeloid leukemia cell differentiation protein Mcl-1
(Homo sapiens (Human)) | BDBM50445
(4-[(2-oxidanylidenebenzo[cd]indol-1-yl)methyl]-N'-...)Show SMILES Oc1ccc(C=NNC(=O)c2ccc(CN3C(=O)c4cccc5cccc3c45)cc2)c(O)c1 |w:6.6| Show InChI InChI=1S/C26H19N3O4/c30-20-12-11-19(23(31)13-20)14-27-28-25(32)18-9-7-16(8-10-18)15-29-22-6-2-4-17-3-1-5-21(24(17)22)26(29)33/h1-14,30-31H,15H2,(H,28,32) | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet 
| Purchase
PC cid
PC sid
UniChem
Similars
| PCBioAssay
| n/a | n/a | 1.47E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Emory University Molecular Libraries Screening Center
Curated by PubChem BioAssay
| Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Nikolovska-Coleska, Univer... |
PubChem Bioassay (2008)
BindingDB Entry DOI: 10.7270/Q23X8539 |
More data for this
Ligand-Target Pair | |
RecBCD enzyme subunit RecD
(Escherichia coli str. K-12 substr. MG1655) | BDBM50445
(4-[(2-oxidanylidenebenzo[cd]indol-1-yl)methyl]-N'-...)Show SMILES Oc1ccc(C=NNC(=O)c2ccc(CN3C(=O)c4cccc5cccc3c45)cc2)c(O)c1 |w:6.6| Show InChI InChI=1S/C26H19N3O4/c30-20-12-11-19(23(31)13-20)14-27-28-25(32)18-9-7-16(8-10-18)15-29-22-6-2-4-17-3-1-5-21(24(17)22)26(29)33/h1-14,30-31H,15H2,(H,28,32) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| Purchase
PC cid
PC sid
UniChem
Similars
| PCBioAssay
| n/a | n/a | >1.19E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute Molecular Screening Center
Curated by PubChem BioAssay
| Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa... |
PubChem Bioassay (2010)
BindingDB Entry DOI: 10.7270/Q2TB15CW |
More data for this
Ligand-Target Pair | |
Caspase-3
(Homo sapiens (Human)) | BDBM50445
(4-[(2-oxidanylidenebenzo[cd]indol-1-yl)methyl]-N'-...)Show SMILES Oc1ccc(C=NNC(=O)c2ccc(CN3C(=O)c4cccc5cccc3c45)cc2)c(O)c1 |w:6.6| Show InChI InChI=1S/C26H19N3O4/c30-20-12-11-19(23(31)13-20)14-27-28-25(32)18-9-7-16(8-10-18)15-29-22-6-2-4-17-3-1-5-21(24(17)22)26(29)33/h1-14,30-31H,15H2,(H,28,32) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
PC cid
PC sid
UniChem
Similars
| PCBioAssay
| n/a | n/a | n/a | n/a | >8.53E+4 | n/a | n/a | n/a | n/a |
The Scripps Research Institute Molecular Screening Center
Curated by PubChem BioAssay
| Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSR... |
PubChem Bioassay (2010)
BindingDB Entry DOI: 10.7270/Q2Z31X4P |
More data for this
Ligand-Target Pair | |
Caspase-7
(Homo sapiens (Human)) | BDBM50445
(4-[(2-oxidanylidenebenzo[cd]indol-1-yl)methyl]-N'-...)Show SMILES Oc1ccc(C=NNC(=O)c2ccc(CN3C(=O)c4cccc5cccc3c45)cc2)c(O)c1 |w:6.6| Show InChI InChI=1S/C26H19N3O4/c30-20-12-11-19(23(31)13-20)14-27-28-25(32)18-9-7-16(8-10-18)15-29-22-6-2-4-17-3-1-5-21(24(17)22)26(29)33/h1-14,30-31H,15H2,(H,28,32) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
PC cid
PC sid
UniChem
Similars
| PCBioAssay
| n/a | n/a | n/a | n/a | >8.53E+4 | n/a | n/a | n/a | n/a |
The Scripps Research Institute Molecular Screening Center
Curated by PubChem BioAssay
| Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSR... |
PubChem Bioassay (2010)
BindingDB Entry DOI: 10.7270/Q22V2DK6 |
More data for this
Ligand-Target Pair | |