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SMILES: OCCN1CCN(CC1)c1c(O)c2C(=O)C=CC(=O)c2c(O)c1Cl

InChI Key: InChIKey=QTUFORJHHYODMQ-UHFFFAOYSA-N

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 4 hits for monomerid = 84369   
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
Albumin


(Bos taurus)
BDBM84369
PNG
(6-chloranyl-7-[4-(2-hydroxyethyl)piperazin-1-yl]-5...)
Show SMILES OCCN1CCN(CC1)c1c(O)c2C(=O)C=CC(=O)c2c(O)c1Cl |c:16|
Show InChI InChI=1S/C16H17ClN2O5/c17-13-14(19-5-3-18(4-6-19)7-8-20)16(24)12-10(22)2-1-9(21)11(12)15(13)23/h1-2,20,23-24H,3-8H2
PDB

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KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PCBioAssay
n/an/a 2.91E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2RX99Q9
More data for this
Ligand-Target Pair
PC4 and SFRS1-interacting protein


(Homo sapiens (Human))
BDBM84369
PNG
(6-chloranyl-7-[4-(2-hydroxyethyl)piperazin-1-yl]-5...)
Show SMILES OCCN1CCN(CC1)c1c(O)c2C(=O)C=CC(=O)c2c(O)c1Cl |c:16|
Show InChI InChI=1S/C16H17ClN2O5/c17-13-14(19-5-3-18(4-6-19)7-8-20)16(24)12-10(22)2-1-9(21)11(12)15(13)23/h1-2,20,23-24H,3-8H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PCBioAssay
n/an/a 2.28E+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) Affiliation: Ohio State University Assay Provider: Mam...


PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2KD1WKS
More data for this
Ligand-Target Pair
PC4 and SFRS1-interacting protein


(Homo sapiens (Human))
BDBM84369
PNG
(6-chloranyl-7-[4-(2-hydroxyethyl)piperazin-1-yl]-5...)
Show SMILES OCCN1CCN(CC1)c1c(O)c2C(=O)C=CC(=O)c2c(O)c1Cl |c:16|
Show InChI InChI=1S/C16H17ClN2O5/c17-13-14(19-5-3-18(4-6-19)7-8-20)16(24)12-10(22)2-1-9(21)11(12)15(13)23/h1-2,20,23-24H,3-8H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PCBioAssay
n/an/a 2.30E+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) Affiliation: Ohio State University Assay Provider: Mam...


PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2Q52N9H
More data for this
Ligand-Target Pair
T cell receptor alpha variable 4


(Homo sapiens (Human))
BDBM84369
PNG
(6-chloranyl-7-[4-(2-hydroxyethyl)piperazin-1-yl]-5...)
Show SMILES OCCN1CCN(CC1)c1c(O)c2C(=O)C=CC(=O)c2c(O)c1Cl |c:16|
Show InChI InChI=1S/C16H17ClN2O5/c17-13-14(19-5-3-18(4-6-19)7-8-20)16(24)12-10(22)2-1-9(21)11(12)15(13)23/h1-2,20,23-24H,3-8H2
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PCBioAssay
n/an/a 1.66E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2WQ02FK
More data for this
Ligand-Target Pair