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BDBM75935 SR-02000000471::SR-02000000471-1::[1-(3-chlorobenzyl)-2-piperidyl]-[4-(4-nitrophenyl)piperazino]methanone::[1-[(3-chlorophenyl)methyl]-2-piperidinyl]-[4-(4-nitrophenyl)-1-piperazinyl]methanone::[1-[(3-chlorophenyl)methyl]piperidin-2-yl]-[4-(4-nitrophenyl)piperazin-1-yl]methanone::cid_46846323

SMILES: [O-][N+](=O)c1ccc(cc1)N1CCN(CC1)C(=O)C1CCCCN1Cc1cccc(Cl)c1

InChI Key: InChIKey=UAVVWGVYWGLLEB-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 = 75935   
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
Neuropeptides B/W receptor type 1


(Homo sapiens (Human))
BDBM75935
PNG
(SR-02000000471 | SR-02000000471-1 | [1-(3-chlorobe...)
Show SMILES [O-][N+](=O)c1ccc(cc1)N1CCN(CC1)C(=O)C1CCCCN1Cc1cccc(Cl)c1
Show InChI InChI=1S/C23H27ClN4O3/c24-19-5-3-4-18(16-19)17-27-11-2-1-6-22(27)23(29)26-14-12-25(13-15-26)20-7-9-21(10-8-20)28(30)31/h3-5,7-10,16,22H,1-2,6,11-15,17H2
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 2.80E+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: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2GB22HQ
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM75935
PNG
(SR-02000000471 | SR-02000000471-1 | [1-(3-chlorobe...)
Show SMILES [O-][N+](=O)c1ccc(cc1)N1CCN(CC1)C(=O)C1CCCCN1Cc1cccc(Cl)c1
Show InChI InChI=1S/C23H27ClN4O3/c24-19-5-3-4-18(16-19)17-27-11-2-1-6-22(27)23(29)26-14-12-25(13-15-26)20-7-9-21(10-8-20)28(30)31/h3-5,7-10,16,22H,1-2,6,11-15,17H2
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 2.90E+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: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2M32T72
More data for this
Ligand-Target Pair