BDBM50263627 CHEMBL452423::N-(2-((4-chlorophenyl)(phenyl)methylamino)-2-oxoethyl)isonicotinamide

SMILES: Clc1ccc(cc1)C(NC(=O)CNC(=O)c1ccncc1)c1ccccc1

InChI Key: InChIKey=BRQGGNFXDOXIBW-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 = 50263627   

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))	BDBM50263627 (CHEMBL452423 | N-(2-((4-chlorophenyl)(phenyl)methy...) Show SMILES Clc1ccc(cc1)C(NC(=O)CNC(=O)c1ccncc1)c1ccccc1 Show InChI InChI=1S/C21H18ClN3O2/c22-18-8-6-16(7-9-18)20(15-4-2-1-3-5-15)25-19(26)14-24-21(27)17-10-12-23-13-11-17/h1-13,20H,14H2,(H,24,27)(H,25,26)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	n/a	n/a	>3.00E+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))	BDBM50263627 (CHEMBL452423 | N-(2-((4-chlorophenyl)(phenyl)methy...) Show SMILES Clc1ccc(cc1)C(NC(=O)CNC(=O)c1ccncc1)c1ccccc1 Show InChI InChI=1S/C21H18ClN3O2/c22-18-8-6-16(7-9-18)20(15-4-2-1-3-5-15)25-19(26)14-24-21(27)17-10-12-23-13-11-17/h1-13,20H,14H2,(H,24,27)(H,25,26)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	n/a	n/a	200	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))	BDBM50263627 (CHEMBL452423 | N-(2-((4-chlorophenyl)(phenyl)methy...) Show SMILES Clc1ccc(cc1)C(NC(=O)CNC(=O)c1ccncc1)c1ccccc1 Show InChI InChI=1S/C21H18ClN3O2/c22-18-8-6-16(7-9-18)20(15-4-2-1-3-5-15)25-19(26)14-24-21(27)17-10-12-23-13-11-17/h1-13,20H,14H2,(H,24,27)(H,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	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 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))	BDBM50263627 (CHEMBL452423 | N-(2-((4-chlorophenyl)(phenyl)methy...) Show SMILES Clc1ccc(cc1)C(NC(=O)CNC(=O)c1ccncc1)c1ccccc1 Show InChI InChI=1S/C21H18ClN3O2/c22-18-8-6-16(7-9-18)20(15-4-2-1-3-5-15)25-19(26)14-24-21(27)17-10-12-23-13-11-17/h1-13,20H,14H2,(H,24,27)(H,25,26)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	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 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))	BDBM50263627 (CHEMBL452423 | N-(2-((4-chlorophenyl)(phenyl)methy...) Show SMILES Clc1ccc(cc1)C(NC(=O)CNC(=O)c1ccncc1)c1ccccc1 Show InChI InChI=1S/C21H18ClN3O2/c22-18-8-6-16(7-9-18)20(15-4-2-1-3-5-15)25-19(26)14-24-21(27)17-10-12-23-13-11-17/h1-13,20H,14H2,(H,24,27)(H,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	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