BDBM50140828 4-{4-[2-(4-Chloro-phenyl)-ethyl]-piperazin-1-yl}-6,7,8,9-tetrahydro-pyrimido[4,5-b]indolizine-10-carbonitrile::CHEMBL282610

SMILES: Clc1ccc(CCN2CCN(CC2)c2ncnc3c(C#N)c4CCCCn4c23)cc1

InChI Key: InChIKey=AVOFFGIDGIRWKK-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 = 50140828   

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
P-glycoprotein 1 and 3 (MDR1a/MDR1b) (Mus musculus)	BDBM50140828 (4-{4-[2-(4-Chloro-phenyl)-ethyl]-piperazin-1-yl}-6...) Show SMILES Clc1ccc(CCN2CCN(CC2)c2ncnc3c(C#N)c4CCCCn4c23)cc1 Show InChI InChI=1S/C23H25ClN6/c24-18-6-4-17(5-7-18)8-10-28-11-13-29(14-12-28)23-22-21(26-16-27-23)19(15-25)20-3-1-2-9-30(20)22/h4-7,16H,1-3,8-14H2	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Xenova Ltd. Curated by ChEMBL					Assay Description Inhibitory activity against mouse transporter Pgp (P-glycoprotein) expressed in EMT6/AR1.0 cell line				J Med Chem 47: 1329-38 (2004) Article DOI: 10.1021/jm031011g BindingDB Entry DOI: 10.7270/Q25Q4VH0
					More data for this Ligand-Target Pair
Multidrug resistance protein 1/Multidrug resistance associated protein 1 (Homo sapiens (Human))	BDBM50140828 (4-{4-[2-(4-Chloro-phenyl)-ethyl]-piperazin-1-yl}-6...) Show SMILES Clc1ccc(CCN2CCN(CC2)c2ncnc3c(C#N)c4CCCCn4c23)cc1 Show InChI InChI=1S/C23H25ClN6/c24-18-6-4-17(5-7-18)8-10-28-11-13-29(14-12-28)23-22-21(26-16-27-23)19(15-25)20-3-1-2-9-30(20)22/h4-7,16H,1-3,8-14H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	399	n/a	n/a	n/a	n/a	n/a	n/a
Xenova Ltd. Curated by ChEMBL					Assay Description Inhibitory activity against human transporter MRP1 (Multidrug resistance associated protein 1) expressed in COR.L23/R cell line				J Med Chem 47: 1329-38 (2004) Article DOI: 10.1021/jm031011g BindingDB Entry DOI: 10.7270/Q25Q4VH0
					More data for this Ligand-Target Pair