BDBM50456439 CHEMBL4206925

SMILES: CC(C)C[C@@H]1N2C(=O)[C@](NC(=O)[C@H]3CN(C)[C@]4(C)Cc5c(Br)[nH]c6cccc(C4=C3)c56)(O[C@@]2(O)C2CCCN2C1=O)C(C)C

InChI Key: InChIKey=NZTOPQGTTUTKQB-DJEBLILPSA-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 = 50456439   

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))	BDBM50456439 (CHEMBL4206925) Show SMILES CC(C)C[C@@H]1N2C(=O)[C@](NC(=O)[C@H]3CN(C)[C@]4(C)Cc5c(Br)[nH]c6cccc(C4=C3)c56)(O[C@@]2(O)C2CCCN2C1=O)C(C)C |r,c:29| Show InChI InChI=1S/C33H42BrN5O5/c1-17(2)13-24-29(41)38-12-8-11-25(38)33(43)39(24)30(42)32(44-33,18(3)4)36-28(40)19-14-22-20-9-7-10-23-26(20)21(27(34)35-23)15-31(22,5)37(6)16-19/h7,9-10,14,17-19,24-25,35,43H,8,11-13,15-16H2,1-6H3,(H,36,40)/t19-,24+,25?,31-,32-,33+/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CSIR - Indian Institute of Integrative Medicine Curated by ChEMBL					Assay Description Inhibition of human MDR1 expressed in pig LLC-PK1 cells assessed as reduction in calcein-AM efflux preincubated for 30 mins followed by calcein-AM ad...				Eur J Med Chem 138: 273-292 (2017) Article DOI: 10.1016/j.ejmech.2017.06.047 BindingDB Entry DOI: 10.7270/Q23J3GKM
					More data for this Ligand-Target Pair
Multidrug resistance protein 1/Multidrug resistance associated protein 1 (Homo sapiens (Human))	BDBM50456439 (CHEMBL4206925) Show SMILES CC(C)C[C@@H]1N2C(=O)[C@](NC(=O)[C@H]3CN(C)[C@]4(C)Cc5c(Br)[nH]c6cccc(C4=C3)c56)(O[C@@]2(O)C2CCCN2C1=O)C(C)C |r,c:29| Show InChI InChI=1S/C33H42BrN5O5/c1-17(2)13-24-29(41)38-12-8-11-25(38)33(43)39(24)30(42)32(44-33,18(3)4)36-28(40)19-14-22-20-9-7-10-23-26(20)21(27(34)35-23)15-31(22,5)37(6)16-19/h7,9-10,14,17-19,24-25,35,43H,8,11-13,15-16H2,1-6H3,(H,36,40)/t19-,24+,25?,31-,32-,33+/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CSIR - Indian Institute of Integrative Medicine Curated by ChEMBL					Assay Description Inhibition of human MDR1 expressed in pig LLC-PK1 cells assessed as reduction in [3H]vinblastine efflux after 1 hr by scintillation counting method				Eur J Med Chem 138: 273-292 (2017) Article DOI: 10.1016/j.ejmech.2017.06.047 BindingDB Entry DOI: 10.7270/Q23J3GKM
					More data for this Ligand-Target Pair