BDBM50263399 CHEMBL475927::N-(2-((4-chlorophenyl)(phenyl)methylamino)-2-oxoethyl)-4-cyanobenzamide

SMILES: Clc1ccc(cc1)C(NC(=O)CNC(=O)c1ccc(cc1)C#N)c1ccccc1

InChI Key: InChIKey=JVOWBHDCJOSBIJ-UHFFFAOYSA-N

Data: 3 IC50  2 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 5 hits for monomerid = 50263399   

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
Glycine transporter 2 (Homo sapiens (Human))	BDBM50263399 (CHEMBL475927 | N-(2-((4-chlorophenyl)(phenyl)methy...) Show SMILES Clc1ccc(cc1)C(NC(=O)CNC(=O)c1ccc(cc1)C#N)c1ccccc1 Show InChI InChI=1S/C23H18ClN3O2/c24-20-12-10-18(11-13-20)22(17-4-2-1-3-5-17)27-21(28)15-26-23(29)19-8-6-16(14-25)7-9-19/h1-13,22H,15H2,(H,26,29)(H,27,28)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	1.91E+4	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Inhibition of [3H]glycine uptake at human glycine transporter 2 transfected in Flp-inTM-CHO				Bioorg Med Chem Lett 18: 5533-6 (2008) Article DOI: 10.1016/j.bmcl.2008.09.005 BindingDB Entry DOI: 10.7270/Q2BR8S19
					More data for this Ligand-Target Pair
Glycine transporter 1 (Homo sapiens (Human))	BDBM50263399 (CHEMBL475927 | N-(2-((4-chlorophenyl)(phenyl)methy...) Show SMILES Clc1ccc(cc1)C(NC(=O)CNC(=O)c1ccc(cc1)C#N)c1ccccc1 Show InChI InChI=1S/C23H18ClN3O2/c24-20-12-10-18(11-13-20)22(17-4-2-1-3-5-17)27-21(28)15-26-23(29)19-8-6-16(14-25)7-9-19/h1-13,22H,15H2,(H,26,29)(H,27,28)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	230	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Inhibition of [3H]glycine uptake at human glycine transporter 1 transfected in Flp-inTM-CHO				Bioorg Med Chem Lett 18: 5533-6 (2008) Article DOI: 10.1016/j.bmcl.2008.09.005 BindingDB Entry DOI: 10.7270/Q2BR8S19
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50263399 (CHEMBL475927 | N-(2-((4-chlorophenyl)(phenyl)methy...) Show SMILES Clc1ccc(cc1)C(NC(=O)CNC(=O)c1ccc(cc1)C#N)c1ccccc1 Show InChI InChI=1S/C23H18ClN3O2/c24-20-12-10-18(11-13-20)22(17-4-2-1-3-5-17)27-21(28)15-26-23(29)19-8-6-16(14-25)7-9-19/h1-13,22H,15H2,(H,26,29)(H,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.47E+4	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Inhibition of CYP2C9				Bioorg Med Chem Lett 18: 5533-6 (2008) Article DOI: 10.1016/j.bmcl.2008.09.005 BindingDB Entry DOI: 10.7270/Q2BR8S19
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50263399 (CHEMBL475927 | N-(2-((4-chlorophenyl)(phenyl)methy...) Show SMILES Clc1ccc(cc1)C(NC(=O)CNC(=O)c1ccc(cc1)C#N)c1ccccc1 Show InChI InChI=1S/C23H18ClN3O2/c24-20-12-10-18(11-13-20)22(17-4-2-1-3-5-17)27-21(28)15-26-23(29)19-8-6-16(14-25)7-9-19/h1-13,22H,15H2,(H,26,29)(H,27,28)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Inhibition of CYP2D6				Bioorg Med Chem Lett 18: 5533-6 (2008) Article DOI: 10.1016/j.bmcl.2008.09.005 BindingDB Entry DOI: 10.7270/Q2BR8S19
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50263399 (CHEMBL475927 | N-(2-((4-chlorophenyl)(phenyl)methy...) Show SMILES Clc1ccc(cc1)C(NC(=O)CNC(=O)c1ccc(cc1)C#N)c1ccccc1 Show InChI InChI=1S/C23H18ClN3O2/c24-20-12-10-18(11-13-20)22(17-4-2-1-3-5-17)27-21(28)15-26-23(29)19-8-6-16(14-25)7-9-19/h1-13,22H,15H2,(H,26,29)(H,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Inhibition of CYP3A4				Bioorg Med Chem Lett 18: 5533-6 (2008) Article DOI: 10.1016/j.bmcl.2008.09.005 BindingDB Entry DOI: 10.7270/Q2BR8S19
					More data for this Ligand-Target Pair