BDBM50235444 CHEMBL3605261

SMILES: [H][C@@]12C\C(=N/Nc3ccc(Br)cn3)c3[nH]c4ccccc4c3C[C@]([H])(N(C)C[C@@H]1CC)[C@@]2([H])C(=O)OC

InChI Key: InChIKey=KSGUZOYRVXFLMZ-ONBSAPLUSA-N

Data: 1 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 1 hit for monomerid = 50235444   

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))	BDBM50235444 (CHEMBL3605261) Show SMILES [H][C@@]12C\C(=N/Nc3ccc(Br)cn3)c3[nH]c4ccccc4c3C[C@]([H])(N(C)C[C@@H]1CC)[C@@]2([H])C(=O)OC |r| Show InChI InChI=1S/C26H30BrN5O2/c1-4-15-14-32(2)22-12-19-17-7-5-6-8-20(17)29-25(19)21(11-18(15)24(22)26(33)34-3)30-31-23-10-9-16(27)13-28-23/h5-10,13,15,18,22,24,29H,4,11-12,14H2,1-3H3,(H,28,31)/b30-21+/t15-,18+,22-,24-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.99E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universidade de Lisboa Curated by ChEMBL					Assay Description Inhibition of binding of [125I]-PD 142308 to CCK-B receptor was determined				Eur J Med Chem 128: 247-257 (2017) Article DOI: 10.1016/j.ejmech.2017.01.044 BindingDB Entry DOI: 10.7270/Q2BV7JVT
					More data for this Ligand-Target Pair