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BDBM91193 MLS001306198::SMR000044739::cid_6890216

SMILES: COc1cccc(\C=N\n2c3nc4ccccc4nc3c3c2ncn(CC=C)c3=O)c1OC

InChI Key: InChIKey=LXWWIOMXNQNSFF-LGJNPRDNSA-N

Data: 1 IC50  1 EC50

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 = 91193   
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
corticotropin releasing factor-binding protein


(Homo sapiens (Human))
BDBM91193
PNG
(MLS001306198 | SMR000044739 | cid_6890216)
Show SMILES COc1cccc(\C=N\n2c3nc4ccccc4nc3c3c2ncn(CC=C)c3=O)c1OC
Show InChI InChI=1S/C24H20N6O3/c1-4-12-29-14-25-22-19(24(29)31)20-23(28-17-10-6-5-9-16(17)27-20)30(22)26-13-15-8-7-11-18(32-2)21(15)33-3/h4-11,13-14H,1,12H2,2-3H3/b26-13+
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 2.21E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2NC5ZS3
More data for this
Ligand-Target Pair
corticotropin releasing factor-binding protein


(Homo sapiens (Human))
BDBM91193
PNG
(MLS001306198 | SMR000044739 | cid_6890216)
Show SMILES COc1cccc(\C=N\n2c3nc4ccccc4nc3c3c2ncn(CC=C)c3=O)c1OC
Show InChI InChI=1S/C24H20N6O3/c1-4-12-29-14-25-22-19(24(29)31)20-23(28-17-10-6-5-9-16(17)27-20)30(22)26-13-15-8-7-11-18(32-2)21(15)33-3/h4-11,13-14H,1,12H2,2-3H3/b26-13+
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a>5.30E+4n/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 (2012)


BindingDB Entry DOI: 10.7270/Q2VX0F3D
More data for this
Ligand-Target Pair