BDBM50512907 CHEMBL4518044

SMILES: Cc1cc(C)c2c(n1)sc1c(ncnc21)N1CCN(Cc2ccccc2Cl)CC1

InChI Key: InChIKey=DPWHWIYFNKEXGB-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 = 50512907   

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))	BDBM50512907 (CHEMBL4518044) Show SMILES Cc1cc(C)c2c(n1)sc1c(ncnc21)N1CCN(Cc2ccccc2Cl)CC1 Show InChI InChI=1S/C22H22ClN5S/c1-14-11-15(2)26-22-18(14)19-20(29-22)21(25-13-24-19)28-9-7-27(8-10-28)12-16-5-3-4-6-17(16)23/h3-6,11,13H,7-10,12H2,1-2H3	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	8.68E+3	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))	BDBM50512907 (CHEMBL4518044) Show SMILES Cc1cc(C)c2c(n1)sc1c(ncnc21)N1CCN(Cc2ccccc2Cl)CC1 Show InChI InChI=1S/C22H22ClN5S/c1-14-11-15(2)26-22-18(14)19-20(29-22)21(25-13-24-19)28-9-7-27(8-10-28)12-16-5-3-4-6-17(16)23/h3-6,11,13H,7-10,12H2,1-2H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.81E+3	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