BDBM50512902 CHEMBL4528126

SMILES: CCCc1cc(N2CCN(CCOc3cccc4ccccc34)CC2)n2nc3nc(C)cc(C)c3c2n1

InChI Key: InChIKey=UQNSXMUYSZHSLG-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 = 50512902   

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
Multidrug resistance protein 1/Multidrug resistance associated protein 1 (Homo sapiens (Human))	BDBM50512902 (CHEMBL4528126) Show SMILES CCCc1cc(N2CCN(CCOc3cccc4ccccc34)CC2)n2nc3nc(C)cc(C)c3c2n1 Show InChI InChI=1S/C30H34N6O/c1-4-8-24-20-27(36-30(32-24)28-21(2)19-22(3)31-29(28)33-36)35-15-13-34(14-16-35)17-18-37-26-12-7-10-23-9-5-6-11-25(23)26/h5-7,9-12,19-20H,4,8,13-18H2,1-3H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.45E+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
ATP-binding cassette sub-family G member 2 (Homo sapiens (Human))	BDBM50512902 (CHEMBL4528126) Show SMILES CCCc1cc(N2CCN(CCOc3cccc4ccccc34)CC2)n2nc3nc(C)cc(C)c3c2n1 Show InChI InChI=1S/C30H34N6O/c1-4-8-24-20-27(36-30(32-24)28-21(2)19-22(3)31-29(28)33-36)35-15-13-34(14-16-35)17-18-37-26-12-7-10-23-9-5-6-11-25(23)26/h5-7,9-12,19-20H,4,8,13-18H2,1-3H3	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	1.18E+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