BDBM50121973 1-{2-[4-(2-Hydroxy-3-isopropylamino-propoxy)-phenyl]-ethyl}-3-isopropyl-urea::CHEMBL152371::PAFENOLOL

SMILES: CC(C)NCC(O)COc1ccc(CCNC(=O)NC(C)C)cc1

InChI Key: InChIKey=PKWZWSXSCKVUJB-UHFFFAOYSA-N

Data: 1 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 1 hit for monomerid = 50121973   

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
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50121973 (1-{2-[4-(2-Hydroxy-3-isopropylamino-propoxy)-pheny...) Show SMILES CC(C)NCC(O)COc1ccc(CCNC(=O)NC(C)C)cc1 Show InChI InChI=1S/C18H31N3O3/c1-13(2)20-11-16(22)12-24-17-7-5-15(6-8-17)9-10-19-18(23)21-14(3)4/h5-8,13-14,16,20,22H,9-12H2,1-4H3,(H2,19,21,23)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	5.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bulgarian Academy of Sciences Curated by ChEMBL					Assay Description High affinity constant at binding site of human P-Glycoprotein (P-gp) in two-affinity model				J Med Chem 45: 5671-86 (2002) BindingDB Entry DOI: 10.7270/Q23B60VG
					More data for this Ligand-Target Pair