BDBM50538595 CHEMBL4645086

SMILES: COc1cc2CCN(CCc3ccc(NC(=O)\C=C\c4ccc(Oc5ccc(c(Cl)c5)-c5ccccn5)nc4)cc3)Cc2cc1OC

InChI Key: InChIKey=OMIMHQKYQZZELH-RIYZIHGNSA-N

Data: 1 IC50  1 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 = 50538595   

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))	BDBM50538595 (CHEMBL4645086) Show SMILES COc1cc2CCN(CCc3ccc(NC(=O)\C=C\c4ccc(Oc5ccc(c(Cl)c5)-c5ccccn5)nc4)cc3)Cc2cc1OC Show InChI InChI=1S/C38H35ClN4O4/c1-45-35-21-28-17-20-43(25-29(28)22-36(35)46-2)19-16-26-6-10-30(11-7-26)42-37(44)14-8-27-9-15-38(41-24-27)47-31-12-13-32(33(39)23-31)34-5-3-4-18-40-34/h3-15,18,21-24H,16-17,19-20,25H2,1-2H3,(H,42,44)/b14-8+	PDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	n/a	n/a	37	n/a	n/a	n/a	n/a
Chinese Academy of Medical Sciences & Peking Union Medical College Curated by ChEMBL					Assay Description Reversal of Pgp-mediated DOX resistance in human SW620/AD300 cells assessed as concentration required to show half of DOX IC50 incubated for 48 hrs b...				J Med Chem 63: 5458-5476 (2020)
					More data for this Ligand-Target Pair
Multidrug resistance protein 1/Multidrug resistance associated protein 1 (Homo sapiens (Human))	BDBM50538595 (CHEMBL4645086) Show SMILES COc1cc2CCN(CCc3ccc(NC(=O)\C=C\c4ccc(Oc5ccc(c(Cl)c5)-c5ccccn5)nc4)cc3)Cc2cc1OC Show InChI InChI=1S/C38H35ClN4O4/c1-45-35-21-28-17-20-43(25-29(28)22-36(35)46-2)19-16-26-6-10-30(11-7-26)42-37(44)14-8-27-9-15-38(41-24-27)47-31-12-13-32(33(39)23-31)34-5-3-4-18-40-34/h3-15,18,21-24H,16-17,19-20,25H2,1-2H3,(H,42,44)/b14-8+	PDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	560	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Medical Sciences & Peking Union Medical College Curated by ChEMBL					Assay Description Reversal of Pgp-mediated DOX resistance in human SW620/AD300 cells assessed as potentiation of DOX-induced cytotoxicity by measuring DOX IC50 at 1 uM...				J Med Chem 63: 5458-5476 (2020)
					More data for this Ligand-Target Pair