BDBM50140823 CHEMBL283835::N-{4-[10-Cyano-4-(4-phenethyl-piperazin-1-yl)-6,7,8,9-tetrahydro-pyrimido[4,5-b]indolizin-2-yl]-phenyl}-acetamide

SMILES: CC(=O)Nc1ccc(cc1)-c1nc(N2CCN(CCc3ccccc3)CC2)c2n3CCCCc3c(C#N)c2n1

InChI Key: InChIKey=IKKSYCBKUKNWIG-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 = 50140823   

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)	BDBM50140823 (CHEMBL283835 | N-{4-[10-Cyano-4-(4-phenethyl-piper...) Show SMILES CC(=O)Nc1ccc(cc1)-c1nc(N2CCN(CCc3ccccc3)CC2)c2n3CCCCc3c(C#N)c2n1 Show InChI InChI=1S/C31H33N7O/c1-22(39)33-25-12-10-24(11-13-25)30-34-28-26(21-32)27-9-5-6-15-38(27)29(28)31(35-30)37-19-17-36(18-20-37)16-14-23-7-3-2-4-8-23/h2-4,7-8,10-13H,5-6,9,14-20H2,1H3,(H,33,39)	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.37E+4	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))	BDBM50140823 (CHEMBL283835 | N-{4-[10-Cyano-4-(4-phenethyl-piper...) Show SMILES CC(=O)Nc1ccc(cc1)-c1nc(N2CCN(CCc3ccccc3)CC2)c2n3CCCCc3c(C#N)c2n1 Show InChI InChI=1S/C31H33N7O/c1-22(39)33-25-12-10-24(11-13-25)30-34-28-26(21-32)27-9-5-6-15-38(27)29(28)31(35-30)37-19-17-36(18-20-37)16-14-23-7-3-2-4-8-23/h2-4,7-8,10-13H,5-6,9,14-20H2,1H3,(H,33,39)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	570	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