BDBM50411958 CHEMBL411951

SMILES: O=C(Nc1ccc(CCN2CCc3ccccc3C2)cc1)c1cnc2ccccc2c1

InChI Key: InChIKey=QEJZMMQJUXSSHX-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 = 50411958   

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 (Homo sapiens (Human))	BDBM50411958 (CHEMBL411951) Show SMILES O=C(Nc1ccc(CCN2CCc3ccccc3C2)cc1)c1cnc2ccccc2c1 Show InChI InChI=1S/C27H25N3O/c31-27(24-17-22-6-3-4-8-26(22)28-18-24)29-25-11-9-20(10-12-25)13-15-30-16-14-21-5-1-2-7-23(21)19-30/h1-12,17-18H,13-16,19H2,(H,29,31)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	417	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Inhibition of human Pgp in A2780 cells after 30 mins by Hoechst 33342 assay				Bioorg Med Chem 16: 2448-62 (2008) Article DOI: 10.1016/j.bmc.2007.11.057 BindingDB Entry DOI: 10.7270/Q2QN67PT
					More data for this Ligand-Target Pair
Multidrug resistance protein 1/Multidrug resistance associated protein 1 (Homo sapiens (Human))	BDBM50411958 (CHEMBL411951) Show SMILES O=C(Nc1ccc(CCN2CCc3ccccc3C2)cc1)c1cnc2ccccc2c1 Show InChI InChI=1S/C27H25N3O/c31-27(24-17-22-6-3-4-8-26(22)28-18-24)29-25-11-9-20(10-12-25)13-15-30-16-14-21-5-1-2-7-23(21)19-30/h1-12,17-18H,13-16,19H2,(H,29,31)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	430	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Inhibition of P-glycoprotein-mediated multidrug resistance in adriamycin-resistant human A2780/ADR cells by calcein AM assay				Bioorg Med Chem 17: 2524-35 (2009) Article DOI: 10.1016/j.bmc.2009.01.072 BindingDB Entry DOI: 10.7270/Q2X63QS6
					More data for this Ligand-Target Pair
ATP-binding cassette sub-family G member 2 (Homo sapiens (Human))	BDBM50411958 (CHEMBL411951) Show SMILES O=C(Nc1ccc(CCN2CCc3ccccc3C2)cc1)c1cnc2ccccc2c1 Show InChI InChI=1S/C27H25N3O/c31-27(24-17-22-6-3-4-8-26(22)28-18-24)29-25-11-9-20(10-12-25)13-15-30-16-14-21-5-1-2-7-23(21)19-30/h1-12,17-18H,13-16,19H2,(H,29,31)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.01E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Inhibition of ABCG2 in human mitoxantrone-resistant MCF7 cells by Hoechst 33342 assay				Bioorg Med Chem 16: 8224-36 (2008) Article DOI: 10.1016/j.bmc.2008.07.034 BindingDB Entry DOI: 10.7270/Q2765GK5
					More data for this Ligand-Target Pair
P-glycoprotein 1 (Homo sapiens (Human))	BDBM50411958 (CHEMBL411951) Show SMILES O=C(Nc1ccc(CCN2CCc3ccccc3C2)cc1)c1cnc2ccccc2c1 Show InChI InChI=1S/C27H25N3O/c31-27(24-17-22-6-3-4-8-26(22)28-18-24)29-25-11-9-20(10-12-25)13-15-30-16-14-21-5-1-2-7-23(21)19-30/h1-12,17-18H,13-16,19H2,(H,29,31)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	525	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Inhibition of human Pgp in A2780 cells after 30 mins by calcein AM assay				Bioorg Med Chem 16: 2448-62 (2008) Article DOI: 10.1016/j.bmc.2007.11.057 BindingDB Entry DOI: 10.7270/Q2QN67PT
					More data for this Ligand-Target Pair