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BDBM38878 2,7-bis(azanyl)-4-(3,4,5-trimethoxyphenyl)-4H-chromene-3-carbonitrile::2,7-diamino-4-(3,4,5-trimethoxyphenyl)-4H-1-benzopyran-3-carbonitrile::2,7-diamino-4-(3,4,5-trimethoxyphenyl)-4H-chromene-3-carbonitrile::MLS000069308::SMR000038549::cid_657713

SMILES: COc1cc(cc(OC)c1OC)C1C(C#N)C(=N)Oc2cc(N)ccc12

InChI Key: InChIKey=LFDVHUNTCDKABD-UHFFFAOYSA-N

Data: 2 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 3 hits for monomerid = 38878   
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
Nuclear receptor ROR-alpha


(Homo sapiens (Human))
BDBM38878
PNG
(2,7-bis(azanyl)-4-(3,4,5-trimethoxyphenyl)-4H-chro...)
Show SMILES COc1cc(cc(OC)c1OC)C1C(C#N)C(=N)Oc2cc(N)ccc12
Show InChI InChI=1S/C19H19N3O4/c1-23-15-6-10(7-16(24-2)18(15)25-3)17-12-5-4-11(21)8-14(12)26-19(22)13(17)9-20/h4-8,13,17,22H,21H2,1-3H3
PDB
MMDB

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KEGG

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 1.05E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q26Q1VNZ
More data for this
Ligand-Target Pair
High-affinity choline transporter


(Homo sapiens (Human))
BDBM38878
PNG
(2,7-bis(azanyl)-4-(3,4,5-trimethoxyphenyl)-4H-chro...)
Show SMILES COc1cc(cc(OC)c1OC)C1C(C#N)C(=N)Oc2cc(N)ccc12
Show InChI InChI=1S/C19H19N3O4/c1-23-15-6-10(7-16(24-2)18(15)25-3)17-12-5-4-11(21)8-14(12)26-19(22)13(17)9-20/h4-8,13,17,22H,21H2,1-3H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 1.35E+4n/an/an/an/a



Johns Hopkins Ion Channel Center

Curated by PubChem BioAssay


Assay Description
Data Source (MLPCN Center Name): Johns Hopkins Ion Channel Center (JHICC) Center Affiliation: Johns Hopkins University, School of Medicine Screening ...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q21N7ZQ4
More data for this
Ligand-Target Pair
Steroidogenic Factor 1


(Homo sapiens (Human))
BDBM38878
PNG
(2,7-bis(azanyl)-4-(3,4,5-trimethoxyphenyl)-4H-chro...)
Show SMILES COc1cc(cc(OC)c1OC)C1C(C#N)C(=N)Oc2cc(N)ccc12
Show InChI InChI=1S/C19H19N3O4/c1-23-15-6-10(7-16(24-2)18(15)25-3)17-12-5-4-11(21)8-14(12)26-19(22)13(17)9-20/h4-8,13,17,22H,21H2,1-3H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 7.92E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2319T8T
More data for this
Ligand-Target Pair