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BDBM75936 SR-02000000472::SR-02000000472-1::[4-[5-chloranyl-3-oxidanylidene-2-(4-propan-2-ylphenyl)pyridazin-4-yl]oxyphenyl]methyl ethanoate::[4-[5-chloro-3-oxo-2-(4-propan-2-ylphenyl)pyridazin-4-yl]oxyphenyl]methyl acetate::acetic acid [4-(5-chloro-3-keto-2-p-cumenyl-pyridazin-4-yl)oxybenzyl] ester::acetic acid [4-[[5-chloro-3-oxo-2-(4-propan-2-ylphenyl)-4-pyridazinyl]oxy]phenyl]methyl ester::cid_46846321

SMILES: CC(C)c1ccc(cc1)-n1ncc(Cl)c(Oc2ccc(COC(C)=O)cc2)c1=O

InChI Key: InChIKey=WGQCHHLOMTXLDZ-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 = 75936   
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))
BDBM75936
PNG
(SR-02000000472 | SR-02000000472-1 | [4-[5-chlorany...)
Show SMILES CC(C)c1ccc(cc1)-n1ncc(Cl)c(Oc2ccc(COC(C)=O)cc2)c1=O
Show InChI InChI=1S/C22H21ClN2O4/c1-14(2)17-6-8-18(9-7-17)25-22(27)21(20(23)12-24-25)29-19-10-4-16(5-11-19)13-28-15(3)26/h4-12,14H,13H2,1-3H3
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KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 1.60E+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))
BDBM75936
PNG
(SR-02000000472 | SR-02000000472-1 | [4-[5-chlorany...)
Show SMILES CC(C)c1ccc(cc1)-n1ncc(Cl)c(Oc2ccc(COC(C)=O)cc2)c1=O
Show InChI InChI=1S/C22H21ClN2O4/c1-14(2)17-6-8-18(9-7-17)25-22(27)21(20(23)12-24-25)29-19-10-4-16(5-11-19)13-28-15(3)26/h4-12,14H,13H2,1-3H3
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 3.50E+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