BDBM50140855 8-{4-[2-(3,4-Difluoro-phenyl)-ethyl]-piperazin-1-yl}-2,9-dimethyl-9H-1,5,7,9-tetraaza-fluorene-4-carboxylic acid amide::CHEMBL287400

SMILES: Cc1cc(C(N)=O)c2c(n1)n(C)c1c(ncnc21)N1CCN(CCc2ccc(F)c(F)c2)CC1

InChI Key: InChIKey=KFCQYUZRWULLQM-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50140855   

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))	BDBM50140855 (8-{4-[2-(3,4-Difluoro-phenyl)-ethyl]-piperazin-1-y...) Show SMILES Cc1cc(C(N)=O)c2c(n1)n(C)c1c(ncnc21)N1CCN(CCc2ccc(F)c(F)c2)CC1 Show InChI InChI=1S/C24H25F2N7O/c1-14-11-16(22(27)34)19-20-21(31(2)23(19)30-14)24(29-13-28-20)33-9-7-32(8-10-33)6-5-15-3-4-17(25)18(26)12-15/h3-4,11-13H,5-10H2,1-2H3,(H2,27,34)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	223	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
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50140855 (8-{4-[2-(3,4-Difluoro-phenyl)-ethyl]-piperazin-1-y...) Show SMILES Cc1cc(C(N)=O)c2c(n1)n(C)c1c(ncnc21)N1CCN(CCc2ccc(F)c(F)c2)CC1 Show InChI InChI=1S/C24H25F2N7O/c1-14-11-16(22(27)34)19-20-21(31(2)23(19)30-14)24(29-13-28-20)33-9-7-32(8-10-33)6-5-15-3-4-17(25)18(26)12-15/h3-4,11-13H,5-10H2,1-2H3,(H2,27,34)	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	210	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))	BDBM50140855 (8-{4-[2-(3,4-Difluoro-phenyl)-ethyl]-piperazin-1-y...) Show SMILES Cc1cc(C(N)=O)c2c(n1)n(C)c1c(ncnc21)N1CCN(CCc2ccc(F)c(F)c2)CC1 Show InChI InChI=1S/C24H25F2N7O/c1-14-11-16(22(27)34)19-20-21(31(2)23(19)30-14)24(29-13-28-20)33-9-7-32(8-10-33)6-5-15-3-4-17(25)18(26)12-15/h3-4,11-13H,5-10H2,1-2H3,(H2,27,34)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	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))	BDBM50140855 (8-{4-[2-(3,4-Difluoro-phenyl)-ethyl]-piperazin-1-y...) Show SMILES Cc1cc(C(N)=O)c2c(n1)n(C)c1c(ncnc21)N1CCN(CCc2ccc(F)c(F)c2)CC1 Show InChI InChI=1S/C24H25F2N7O/c1-14-11-16(22(27)34)19-20-21(31(2)23(19)30-14)24(29-13-28-20)33-9-7-32(8-10-33)6-5-15-3-4-17(25)18(26)12-15/h3-4,11-13H,5-10H2,1-2H3,(H2,27,34)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	67	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