BDBM50512897 CHEMBL4446615

SMILES: Fc1ccc(cc1)-c1nnc(SCC(=O)N2CCN(Cc3ccc4OCCc4c3)CC2)o1

InChI Key: InChIKey=IEXJAHHTWULZER-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 = 50512897   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
ATP-binding cassette sub-family G member 2 (Homo sapiens (Human))	BDBM50512897 (CHEMBL4446615) Show SMILES Fc1ccc(cc1)-c1nnc(SCC(=O)N2CCN(Cc3ccc4OCCc4c3)CC2)o1 Show InChI InChI=1S/C23H23FN4O3S/c24-19-4-2-17(3-5-19)22-25-26-23(31-22)32-15-21(29)28-10-8-27(9-11-28)14-16-1-6-20-18(13-16)7-12-30-20/h1-6,13H,7-12,14-15H2	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.44E+4	n/a	n/a	n/a	n/a	n/a	n/a
Rheinische Friedrich-Wilhelms-University of Bonn Curated by ChEMBL					Assay Description Inhibition of ABCG2 (unknown origin) expressed in MDCK2 cells co-expressing BCRP (unknown origin) assessed as effect on pheophorbide A accumulation p...				J Med Chem 62: 4383-4400 (2019) Article DOI: 10.1021/acs.jmedchem.8b01821
					More data for this Ligand-Target Pair
Multidrug resistance protein 1/Multidrug resistance associated protein 1 (Homo sapiens (Human))	BDBM50512897 (CHEMBL4446615) Show SMILES Fc1ccc(cc1)-c1nnc(SCC(=O)N2CCN(Cc3ccc4OCCc4c3)CC2)o1 Show InChI InChI=1S/C23H23FN4O3S/c24-19-4-2-17(3-5-19)22-25-26-23(31-22)32-15-21(29)28-10-8-27(9-11-28)14-16-1-6-20-18(13-16)7-12-30-20/h1-6,13H,7-12,14-15H2	PDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
Rheinische Friedrich-Wilhelms-University of Bonn Curated by ChEMBL					Assay 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...				J Med Chem 62: 4383-4400 (2019) Article DOI: 10.1021/acs.jmedchem.8b01821
					More data for this Ligand-Target Pair