BDBM50140829 4-(4-Phenethyl-piperazin-1-yl)-6,7,8,9-tetrahydro-pyrimido[4,5-b]indolizine-10-carbonitrile::CHEMBL28098

SMILES: N#Cc1c2CCCCn2c2c(ncnc12)N1CCN(CCc2ccccc2)CC1

InChI Key: InChIKey=WUUUPJQNNUBMKM-UHFFFAOYSA-N

Data: 5 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 5 hits for monomerid = 50140829   

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))	BDBM50140829 (4-(4-Phenethyl-piperazin-1-yl)-6,7,8,9-tetrahydro-...) Show SMILES N#Cc1c2CCCCn2c2c(ncnc12)N1CCN(CCc2ccccc2)CC1 Show InChI InChI=1S/C23H26N6/c24-16-19-20-8-4-5-10-29(20)22-21(19)25-17-26-23(22)28-14-12-27(13-15-28)11-9-18-6-2-1-3-7-18/h1-3,6-7,17H,4-5,8-15H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	690	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
P-glycoprotein 1 and 3 (MDR1a/MDR1b) (Mus musculus)	BDBM50140829 (4-(4-Phenethyl-piperazin-1-yl)-6,7,8,9-tetrahydro-...) Show SMILES N#Cc1c2CCCCn2c2c(ncnc12)N1CCN(CCc2ccccc2)CC1 Show InChI InChI=1S/C23H26N6/c24-16-19-20-8-4-5-10-29(20)22-21(19)25-17-26-23(22)28-14-12-27(13-15-28)11-9-18-6-2-1-3-7-18/h1-3,6-7,17H,4-5,8-15H2	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.63E+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
ATP-binding cassette sub-family G member 2 (Homo sapiens (Human))	BDBM50140829 (4-(4-Phenethyl-piperazin-1-yl)-6,7,8,9-tetrahydro-...) Show SMILES N#Cc1c2CCCCn2c2c(ncnc12)N1CCN(CCc2ccccc2)CC1 Show InChI InChI=1S/C23H26N6/c24-16-19-20-8-4-5-10-29(20)22-21(19)25-17-26-23(22)28-14-12-27(13-15-28)11-9-18-6-2-1-3-7-18/h1-3,6-7,17H,4-5,8-15H2	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	8.19E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Inhibition of BCRP (unknown origin) expressed in MDCK2 cells assessed as pheophorbide A accumulation preincubated for 20 mins measured after 120 mins...				J Med Chem 59: 3018-33 (2016) BindingDB Entry DOI: 10.7270/Q2BG2QWN
					More data for this Ligand-Target Pair
Multidrug resistance protein 1/Multidrug resistance associated protein 1 (Homo sapiens (Human))	BDBM50140829 (4-(4-Phenethyl-piperazin-1-yl)-6,7,8,9-tetrahydro-...) Show SMILES N#Cc1c2CCCCn2c2c(ncnc12)N1CCN(CCc2ccccc2)CC1 Show InChI InChI=1S/C23H26N6/c24-16-19-20-8-4-5-10-29(20)22-21(19)25-17-26-23(22)28-14-12-27(13-15-28)11-9-18-6-2-1-3-7-18/h1-3,6-7,17H,4-5,8-15H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	370	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Inhibition of MRP1 in human H69AR cells incubated for 20 mins measured every 60 mins by calcein-AM accumulation assay				J Med Chem 59: 3018-33 (2016) BindingDB Entry DOI: 10.7270/Q2BG2QWN
					More data for this Ligand-Target Pair
Multidrug resistance protein 1/Multidrug resistance associated protein 1 (Homo sapiens (Human))	BDBM50140829 (4-(4-Phenethyl-piperazin-1-yl)-6,7,8,9-tetrahydro-...) Show SMILES N#Cc1c2CCCCn2c2c(ncnc12)N1CCN(CCc2ccccc2)CC1 Show InChI InChI=1S/C23H26N6/c24-16-19-20-8-4-5-10-29(20)22-21(19)25-17-26-23(22)28-14-12-27(13-15-28)11-9-18-6-2-1-3-7-18/h1-3,6-7,17H,4-5,8-15H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	197	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Inhibition of MRP1 in human H69AR cells assessed as daunorubicin accumulation preincubated for 15 mins measured after 180 mins by flow cytometry				J Med Chem 59: 3018-33 (2016) BindingDB Entry DOI: 10.7270/Q2BG2QWN
					More data for this Ligand-Target Pair