BDBM50512896 CHEMBL4434808

SMILES Cc1nc2cc(NC(=O)C3CCCN(C3)c3cc(ncn3)-n3cccn3)ccc2s1

InChI Key InChIKey=YVMMSDYPZRTEQW-UHFFFAOYSA-N

Data  3 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50512896   

TargetBroad substrate specificity ATP-binding cassette transporter ABCG2(Human)
Rheinische Friedrich-Wilhelms-University of Bonn

Curated by ChEMBL
LigandPNGBDBM50512896(CHEMBL4434808)
Affinity DataIC50: 1.39E+3nMAssay Description:Inhibition of ABCG2 (unknown origin) expressed in MDCK2 cells co-expressing BCRP (unknown origin) assessed as effect on pheophorbide A accumulation p...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/20/2021
Entry Details Article
PubMed
TargetATP-dependent translocase ABCB1(Human)
Rheinische Friedrich-Wilhelms-University of Bonn

Curated by ChEMBL
LigandPNGBDBM50512896(CHEMBL4434808)
Affinity DataIC50: 4.83E+3nMAssay Description:Inhibition of ABCB1 in human A2780/ADR cells preincubated for 30 mins followed by calcein AM addition and measured at 60 secs time interval by fluore...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/20/2021
Entry Details Article
PubMed
TargetMultidrug resistance-associated protein 1(Human)
Rheinische Friedrich-Wilhelms-University of Bonn

Curated by ChEMBL
LigandPNGBDBM50512896(CHEMBL4434808)
Affinity DataIC50: 2.27E+4nMAssay Description:Inhibition of ABCC1 in human H69AR cells preincubated for 30 mins followed by calcein-AM addition measured at 60 secs time interval by fluorescence a...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/20/2021
Entry Details Article
PubMed