BDBM50030677 CHEMBL3344541

SMILES: COc1ccc(cc1)C(=O)c1sc2nc(C)c(C(C)=O)c(-c3cc(OC)c(OC)c(OC)c3)c2c1N

InChI Key: InChIKey=ILTHGBCIUFBFBA-UHFFFAOYSA-N

Data: 2 EC50

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 = 50030677   

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))	BDBM50030677 (CHEMBL3344541) Show SMILES COc1ccc(cc1)C(=O)c1sc2nc(C)c(C(C)=O)c(-c3cc(OC)c(OC)c(OC)c3)c2c1N Show InChI InChI=1S/C27H26N2O6S/c1-13-20(14(2)30)21(16-11-18(33-4)25(35-6)19(12-16)34-5)22-23(28)26(36-27(22)29-13)24(31)15-7-9-17(32-3)10-8-15/h7-12H,28H2,1-6H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	6.60E+3	n/a	n/a	n/a	n/a
Institute of Organic Synthesis Curated by ChEMBL					Assay Description Modulation of MRP1 mediated drug efflux in doxorubicin-resistant human H69 cells assessed as accumulation of calcein AM incubated for 15 mins prior t...				Bioorg Med Chem 22: 5860-70 (2014) Article DOI: 10.1016/j.bmc.2014.09.023 BindingDB Entry DOI: 10.7270/Q24F1SBQ
					More data for this Ligand-Target Pair
ATP-binding cassette sub-family G member 2 (Homo sapiens (Human))	BDBM50030677 (CHEMBL3344541) Show SMILES COc1ccc(cc1)C(=O)c1sc2nc(C)c(C(C)=O)c(-c3cc(OC)c(OC)c(OC)c3)c2c1N Show InChI InChI=1S/C27H26N2O6S/c1-13-20(14(2)30)21(16-11-18(33-4)25(35-6)19(12-16)34-5)22-23(28)26(36-27(22)29-13)24(31)15-7-9-17(32-3)10-8-15/h7-12H,28H2,1-6H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	2.60E+3	n/a	n/a	n/a	n/a
Institute of Organic Synthesis Curated by ChEMBL					Assay Description Modulation of BCRP1 mediated drug efflux in mitoxantrone-resistant human MES-SA cells assessed as accumulation of hoechst 33342 incubated for 15 mins...				Bioorg Med Chem 22: 5860-70 (2014) Article DOI: 10.1016/j.bmc.2014.09.023 BindingDB Entry DOI: 10.7270/Q24F1SBQ
					More data for this Ligand-Target Pair