BDBM50420182 CHEMBL2074650

SMILES: C[C@@H]1C[C@@H](C)OP(=O)(O1)c1c(C)nc(C)c(C(=O)OCCN2CCN(CC2)C(c2ccccc2)c2ccccc2)c1-c1cccc(c1)[N+]([O-])=O

InChI Key: InChIKey=PFKHLXIJSNUZDT-KAYWLYCHSA-N

Data: 2 KI

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 = 50420182   

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))	BDBM50420182 (CHEMBL2074650) Show SMILES C[C@@H]1C[C@@H](C)OP(=O)(O1)c1c(C)nc(C)c(C(=O)OCCN2CCN(CC2)C(c2ccccc2)c2ccccc2)c1-c1cccc(c1)[N+]([O-])=O |r| Show InChI InChI=1S/C38H43N4O7P/c1-26-24-27(2)49-50(46,48-26)37-29(4)39-28(3)34(35(37)32-16-11-17-33(25-32)42(44)45)38(43)47-23-22-40-18-20-41(21-19-40)36(30-12-7-5-8-13-30)31-14-9-6-10-15-31/h5-17,25-27,36H,18-24H2,1-4H3/t26-,27-/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	210	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Paris Nord Curated by ChEMBL					Assay Description TP_TRANSPORTER: inhibition of Hydroxydoxorubicin efflux in K562/Adr cells				Eur J Pharmacol 391: 207-16 (2000) BindingDB Entry DOI: 10.7270/Q24M95SV
					More data for this Ligand-Target Pair
Multidrug resistance-associated protein 2 (MRP2) (Homo sapiens (Human))	BDBM50420182 (CHEMBL2074650) Show SMILES C[C@@H]1C[C@@H](C)OP(=O)(O1)c1c(C)nc(C)c(C(=O)OCCN2CCN(CC2)C(c2ccccc2)c2ccccc2)c1-c1cccc(c1)[N+]([O-])=O |r| Show InChI InChI=1S/C38H43N4O7P/c1-26-24-27(2)49-50(46,48-26)37-29(4)39-28(3)34(35(37)32-16-11-17-33(25-32)42(44)45)38(43)47-23-22-40-18-20-41(21-19-40)36(30-12-7-5-8-13-30)31-14-9-6-10-15-31/h5-17,25-27,36H,18-24H2,1-4H3/t26-,27-/m1/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	3.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kagoshima University Curated by ChEMBL					Assay Description TP_TRANSPORTER: inhibition of LTC4 uptake in membrane vesicles from MRP2-expressing LLC PK1 cells				Mol Pharmacol 56: 1219-28 (1999) BindingDB Entry DOI: 10.7270/Q2RJ4KQX
					More data for this Ligand-Target Pair