BDBM50140877 (4-{4-[2-(3,4-Difluoro-phenyl)-ethyl]-piperazin-1-yl}-5-methyl-5H-pyrido[3',4':4,5]pyrrolo[3,2-d]pyrimidin-9-yl)-pyridin-2-ylmethyl-amine::CHEMBL281326

SMILES: Cn1c2ccnc(NCc3ccccn3)c2c2ncnc(N3CCN(CCc4ccc(F)c(F)c4)CC3)c12

InChI Key: InChIKey=OCIIEYOWWOUETK-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 = 50140877   

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))	BDBM50140877 ((4-{4-[2-(3,4-Difluoro-phenyl)-ethyl]-piperazin-1-...) Show SMILES Cn1c2ccnc(NCc3ccccn3)c2c2ncnc(N3CCN(CCc4ccc(F)c(F)c4)CC3)c12 Show InChI InChI=1S/C28H28F2N8/c1-36-23-7-10-32-27(33-17-20-4-2-3-9-31-20)24(23)25-26(36)28(35-18-34-25)38-14-12-37(13-15-38)11-8-19-5-6-21(29)22(30)16-19/h2-7,9-10,16,18H,8,11-15,17H2,1H3,(H,32,33)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	106	n/a	n/a	n/a	n/a	n/a	n/a
Xenova Ltd. Curated by ChEMBL					Assay Description In vitro inhibitory activity against MRP1 (Multidrug resistance associated protein 1) expressed in COR.L23/R cell line in accumulation assay				J Med Chem 47: 1339-50 (2004) Article DOI: 10.1021/jm0310129 BindingDB Entry DOI: 10.7270/Q21Z43T3
					More data for this Ligand-Target Pair
Multidrug resistance protein 1/Multidrug resistance associated protein 1 (Homo sapiens (Human))	BDBM50140877 ((4-{4-[2-(3,4-Difluoro-phenyl)-ethyl]-piperazin-1-...) Show SMILES Cn1c2ccnc(NCc3ccccn3)c2c2ncnc(N3CCN(CCc4ccc(F)c(F)c4)CC3)c12 Show InChI InChI=1S/C28H28F2N8/c1-36-23-7-10-32-27(33-17-20-4-2-3-9-31-20)24(23)25-26(36)28(35-18-34-25)38-14-12-37(13-15-38)11-8-19-5-6-21(29)22(30)16-19/h2-7,9-10,16,18H,8,11-15,17H2,1H3,(H,32,33)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Xenova Ltd. Curated by ChEMBL					Assay Description Inhibitory activity against MRP1 (Multidrug resistance associated protein 1) expressed in COR.L23/R cell line in single-dose potentiation assay				J Med Chem 47: 1339-50 (2004) Article DOI: 10.1021/jm0310129 BindingDB Entry DOI: 10.7270/Q21Z43T3
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50140877 ((4-{4-[2-(3,4-Difluoro-phenyl)-ethyl]-piperazin-1-...) Show SMILES Cn1c2ccnc(NCc3ccccn3)c2c2ncnc(N3CCN(CCc4ccc(F)c(F)c4)CC3)c12 Show InChI InChI=1S/C28H28F2N8/c1-36-23-7-10-32-27(33-17-20-4-2-3-9-31-20)24(23)25-26(36)28(35-18-34-25)38-14-12-37(13-15-38)11-8-19-5-6-21(29)22(30)16-19/h2-7,9-10,16,18H,8,11-15,17H2,1H3,(H,32,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.85E+4	n/a	n/a	n/a	n/a	n/a	n/a
Xenova Ltd. Curated by ChEMBL					Assay Description Inhibitory activity against cytochrome P450 3A4				J Med Chem 47: 1339-50 (2004) Article DOI: 10.1021/jm0310129 BindingDB Entry DOI: 10.7270/Q21Z43T3
					More data for this Ligand-Target Pair
P-glycoprotein (P-gp) (Mus musculus (Mouse))	BDBM50140877 ((4-{4-[2-(3,4-Difluoro-phenyl)-ethyl]-piperazin-1-...) Show SMILES Cn1c2ccnc(NCc3ccccn3)c2c2ncnc(N3CCN(CCc4ccc(F)c(F)c4)CC3)c12 Show InChI InChI=1S/C28H28F2N8/c1-36-23-7-10-32-27(33-17-20-4-2-3-9-31-20)24(23)25-26(36)28(35-18-34-25)38-14-12-37(13-15-38)11-8-19-5-6-21(29)22(30)16-19/h2-7,9-10,16,18H,8,11-15,17H2,1H3,(H,32,33)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	780	n/a	n/a	n/a	n/a	n/a	n/a
Xenova Ltd. Curated by ChEMBL					Assay Description Inhibitory activity against P-glycoprotein expressed in murine mammary carcinoma (EMT6/AR1.0 cell line) in single-dose potentiation assay				J Med Chem 47: 1339-50 (2004) Article DOI: 10.1021/jm0310129 BindingDB Entry DOI: 10.7270/Q21Z43T3
					More data for this Ligand-Target Pair
Multidrug resistance protein 1/Multidrug resistance associated protein 1 (Homo sapiens (Human))	BDBM50140877 ((4-{4-[2-(3,4-Difluoro-phenyl)-ethyl]-piperazin-1-...) Show SMILES Cn1c2ccnc(NCc3ccccn3)c2c2ncnc(N3CCN(CCc4ccc(F)c(F)c4)CC3)c12 Show InChI InChI=1S/C28H28F2N8/c1-36-23-7-10-32-27(33-17-20-4-2-3-9-31-20)24(23)25-26(36)28(35-18-34-25)38-14-12-37(13-15-38)11-8-19-5-6-21(29)22(30)16-19/h2-7,9-10,16,18H,8,11-15,17H2,1H3,(H,32,33)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	<250	n/a	n/a	n/a	n/a	n/a	n/a
M.D. University Curated by ChEMBL					Assay Description Inhibitory concentration against multidrug resistance associated protein 1				Bioorg Med Chem Lett 15: 4967-72 (2005) Article DOI: 10.1016/j.bmcl.2005.08.011 BindingDB Entry DOI: 10.7270/Q2X34X15
					More data for this Ligand-Target Pair