BDBM50254931 4'-((3R,5S)-3,5-Dimethyl-piperazin-1-ylmethyl)-biphenyl-2-carboxylic acid ethyl-phenethyl-amide::CHEMBL465289

SMILES: CCN(CCc1ccccc1)C(=O)c1ccccc1-c1ccc(CN2C[C@H](C)N[C@H](C)C2)cc1

InChI Key: InChIKey=SWCSHYFRURDRBU-PSWAGMNNSA-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 = 50254931   

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))	BDBM50254931 (4'-((3R,5S)-3,5-Dimethyl-piperazin-1-ylmethyl)-bip...) Show SMILES CCN(CCc1ccccc1)C(=O)c1ccccc1-c1ccc(CN2C[C@H](C)N[C@H](C)C2)cc1 |r| Show InChI InChI=1S/C30H37N3O/c1-4-33(19-18-25-10-6-5-7-11-25)30(34)29-13-9-8-12-28(29)27-16-14-26(15-17-27)22-32-20-23(2)31-24(3)21-32/h5-17,23-24,31H,4,18-22H2,1-3H3/t23-,24+	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	900	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))	BDBM50254931 (4'-((3R,5S)-3,5-Dimethyl-piperazin-1-ylmethyl)-bip...) Show SMILES CCN(CCc1ccccc1)C(=O)c1ccccc1-c1ccc(CN2C[C@H](C)N[C@H](C)C2)cc1 |r| Show InChI InChI=1S/C30H37N3O/c1-4-33(19-18-25-10-6-5-7-11-25)30(34)29-13-9-8-12-28(29)27-16-14-26(15-17-27)22-32-20-23(2)31-24(3)21-32/h5-17,23-24,31H,4,18-22H2,1-3H3/t23-,24+	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	7.94	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))	BDBM50254931 (4'-((3R,5S)-3,5-Dimethyl-piperazin-1-ylmethyl)-bip...) Show SMILES CCN(CCc1ccccc1)C(=O)c1ccccc1-c1ccc(CN2C[C@H](C)N[C@H](C)C2)cc1 |r| Show InChI InChI=1S/C30H37N3O/c1-4-33(19-18-25-10-6-5-7-11-25)30(34)29-13-9-8-12-28(29)27-16-14-26(15-17-27)22-32-20-23(2)31-24(3)21-32/h5-17,23-24,31H,4,18-22H2,1-3H3/t23-,24+	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	1.50E+3	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