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BDBM80868 MLS000582413::N-(3-chloranyl-2-pyrrolidin-1-yl-phenyl)-3-(2-oxidanylidenechromen-3-yl)benzamide::N-(3-chloro-2-pyrrolidin-1-ylphenyl)-3-(2-oxochromen-3-yl)benzamide::N-(3-chloro-2-pyrrolidino-phenyl)-3-(2-ketochromen-3-yl)benzamide::N-[3-chloro-2-(1-pyrrolidinyl)phenyl]-3-(2-oxo-1-benzopyran-3-yl)benzamide::N-[3-chloro-2-(1-pyrrolidinyl)phenyl]-3-(2-oxo-2H-chromen-3-yl)benzamide::SMR000200958::cid_2301800

SMILES: Clc1cccc(NC(=O)c2cccc(c2)-c2cc3ccccc3oc2=O)c1N1CCCC1

InChI Key: InChIKey=BBXINHGZPHIQQU-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 = 80868   
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
Phospholipase A2


(Homo sapiens (Human))
BDBM80868
PNG
(MLS000582413 | N-(3-chloranyl-2-pyrrolidin-1-yl-ph...)
Show SMILES Clc1cccc(NC(=O)c2cccc(c2)-c2cc3ccccc3oc2=O)c1N1CCCC1
Show InChI InChI=1S/C26H21ClN2O3/c27-21-10-6-11-22(24(21)29-13-3-4-14-29)28-25(30)19-9-5-8-17(15-19)20-16-18-7-1-2-12-23(18)32-26(20)31/h1-2,5-12,15-16H,3-4,13-14H2,(H,28,30)
PDB
MMDB

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KEGG

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PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 978n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q26M35BC
More data for this
Ligand-Target Pair
cysteine protease ATG4B isoform a


(Homo sapiens (Human))
BDBM80868
PNG
(MLS000582413 | N-(3-chloranyl-2-pyrrolidin-1-yl-ph...)
Show SMILES Clc1cccc(NC(=O)c2cccc(c2)-c2cc3ccccc3oc2=O)c1N1CCCC1
Show InChI InChI=1S/C26H21ClN2O3/c27-21-10-6-11-22(24(21)29-13-3-4-14-29)28-25(30)19-9-5-8-17(15-19)20-16-18-7-1-2-12-23(18)32-26(20)31/h1-2,5-12,15-16H,3-4,13-14H2,(H,28,30)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 870n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2BZ64H1
More data for this
Ligand-Target Pair