BDBM50254930 CHEMBL516551::N-[4'-((3R,5S)-3,5-Dimethyl-piperazin-1-ylmethyl)-biphenyl-2-ylmethyl]-N-methyl-2-(3-methyl-isoxazol-5-yl)-acetamide

SMILES: C[C@H]1CN(Cc2ccc(cc2)-c2ccccc2CN(C)C(=O)Cc2cc(C)no2)C[C@@H](C)N1

InChI Key: InChIKey=XDZZEIOBAUKKMP-OYRHEFFESA-N

Data: 2 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 3 hits for monomerid = 50254930   

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
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50254930 (CHEMBL516551 | N-[4'-((3R,5S)-3,5-Dimethyl-piperaz...) Show SMILES C[C@H]1CN(Cc2ccc(cc2)-c2ccccc2CN(C)C(=O)Cc2cc(C)no2)C[C@@H](C)N1 |r| Show InChI InChI=1S/C27H34N4O2/c1-19-13-25(33-29-19)14-27(32)30(4)18-24-7-5-6-8-26(24)23-11-9-22(10-12-23)17-31-15-20(2)28-21(3)16-31/h5-13,20-21,28H,14-18H2,1-4H3/t20-,21+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of CYP3A4 (unknown origin) using diethoxyfluorescein substrate				Bioorg Med Chem Lett 18: 6429-36 (2008) Article DOI: 10.1016/j.bmcl.2008.10.072 BindingDB Entry DOI: 10.7270/Q2HQ3ZR3
					More data for this Ligand-Target Pair
Motilin receptor (Homo sapiens (Human))	BDBM50254930 (CHEMBL516551 | N-[4'-((3R,5S)-3,5-Dimethyl-piperaz...) Show SMILES C[C@H]1CN(Cc2ccc(cc2)-c2ccccc2CN(C)C(=O)Cc2cc(C)no2)C[C@@H](C)N1 |r| Show InChI InChI=1S/C27H34N4O2/c1-19-13-25(33-29-19)14-27(32)30(4)18-24-7-5-6-8-26(24)23-11-9-22(10-12-23)17-31-15-20(2)28-21(3)16-31/h5-13,20-21,28H,14-18H2,1-4H3/t20-,21+	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Agonist activity at human recombinant motilin receptor expressed in HEK293 cells by FLIPR assay				Bioorg Med Chem Lett 18: 6429-36 (2008) Article DOI: 10.1016/j.bmcl.2008.10.072 BindingDB Entry DOI: 10.7270/Q2HQ3ZR3
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50254930 (CHEMBL516551 | N-[4'-((3R,5S)-3,5-Dimethyl-piperaz...) Show SMILES C[C@H]1CN(Cc2ccc(cc2)-c2ccccc2CN(C)C(=O)Cc2cc(C)no2)C[C@@H](C)N1 |r| Show InChI InChI=1S/C27H34N4O2/c1-19-13-25(33-29-19)14-27(32)30(4)18-24-7-5-6-8-26(24)23-11-9-22(10-12-23)17-31-15-20(2)28-21(3)16-31/h5-13,20-21,28H,14-18H2,1-4H3/t20-,21+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of CYP3A4 (unknown origin) using phenylpiperazinylmethylbenzylresofurin substrate				Bioorg Med Chem Lett 18: 6429-36 (2008) Article DOI: 10.1016/j.bmcl.2008.10.072 BindingDB Entry DOI: 10.7270/Q2HQ3ZR3
					More data for this Ligand-Target Pair