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BDBM114665 1,5-bis[3-(2-hydroxyethylamino)propylamino]-9,10-anthraquinone::1,5-bis[3-(2-hydroxyethylamino)propylamino]anthracene-9,10-dione::MLS002701865::SMR001565456::cid_335352

SMILES: OCCNCCCNc1cccc2C(=O)c3c(NCCCNCCO)cccc3C(=O)c12

InChI Key: InChIKey=ZDFMCUHFIYMYTO-UHFFFAOYSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 114665   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Chain E, Fragment Double-D From Human Fibrin


(Homo sapiens (Human))
BDBM114665
PNG
(1,5-bis[3-(2-hydroxyethylamino)propylamino]-9,10-a...)
Show SMILES OCCNCCCNc1cccc2C(=O)c3c(NCCCNCCO)cccc3C(=O)c12
Show InChI InChI=1S/C24H32N4O4/c29-15-13-25-9-3-11-27-19-7-1-5-17-21(19)24(32)18-6-2-8-20(22(18)23(17)31)28-12-4-10-26-14-16-30/h1-2,5-8,25-30H,3-4,9-16H2
PDB
MMDB

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PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 8.33E+4n/an/an/an/an/an/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) Center Affiliation: Harvard Medical School/Massachuset...


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2R49PFB
More data for this
Ligand-Target Pair
Chain E, Fragment Double-D From Human Fibrin


(Homo sapiens (Human))
BDBM114665
PNG
(1,5-bis[3-(2-hydroxyethylamino)propylamino]-9,10-a...)
Show SMILES OCCNCCCNc1cccc2C(=O)c3c(NCCCNCCO)cccc3C(=O)c12
Show InChI InChI=1S/C24H32N4O4/c29-15-13-25-9-3-11-27-19-7-1-5-17-21(19)24(32)18-6-2-8-20(22(18)23(17)31)28-12-4-10-26-14-16-30/h1-2,5-8,25-30H,3-4,9-16H2
PDB
MMDB

Reactome pathway

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 9.10E+3n/an/an/an/an/an/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) Center Affiliation: Harvard Medical School/Massachuset...


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2VX0F59
More data for this
Ligand-Target Pair