BDBM50263682 4-Fluoro-N-{[(2-fluoro-6,11-dihydro-dibenzo[b,e]oxepin-11-ylmethyl)-carbamoyl]-methyl}-benzamide::CHEMBL515644

SMILES: Fc1ccc(cc1)C(=O)NCC(=O)NCC1c2ccccc2COc2ccc(F)cc12

InChI Key: InChIKey=CRKSLOZUCXTFQG-UHFFFAOYSA-N

Data: 3 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 4 hits for monomerid = 50263682   

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 1 (Homo sapiens (Human))	BDBM50263682 (4-Fluoro-N-{[(2-fluoro-6,11-dihydro-dibenzo[b,e]ox...) Show SMILES Fc1ccc(cc1)C(=O)NCC(=O)NCC1c2ccccc2COc2ccc(F)cc12 Show InChI InChI=1S/C24H20F2N2O3/c25-17-7-5-15(6-8-17)24(30)28-13-23(29)27-12-21-19-4-2-1-3-16(19)14-31-22-10-9-18(26)11-20(21)22/h1-11,21H,12-14H2,(H,27,29)(H,28,30)	PDB 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+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 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))	BDBM50263682 (4-Fluoro-N-{[(2-fluoro-6,11-dihydro-dibenzo[b,e]ox...) Show SMILES Fc1ccc(cc1)C(=O)NCC(=O)NCC1c2ccccc2COc2ccc(F)cc12 Show InChI InChI=1S/C24H20F2N2O3/c25-17-7-5-15(6-8-17)24(30)28-13-23(29)27-12-21-19-4-2-1-3-16(19)14-31-22-10-9-18(26)11-20(21)22/h1-11,21H,12-14H2,(H,27,29)(H,28,30)	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	>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))	BDBM50263682 (4-Fluoro-N-{[(2-fluoro-6,11-dihydro-dibenzo[b,e]ox...) Show SMILES Fc1ccc(cc1)C(=O)NCC(=O)NCC1c2ccccc2COc2ccc(F)cc12 Show InChI InChI=1S/C24H20F2N2O3/c25-17-7-5-15(6-8-17)24(30)28-13-23(29)27-12-21-19-4-2-1-3-16(19)14-31-22-10-9-18(26)11-20(21)22/h1-11,21H,12-14H2,(H,27,29)(H,28,30)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	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))	BDBM50263682 (4-Fluoro-N-{[(2-fluoro-6,11-dihydro-dibenzo[b,e]ox...) Show SMILES Fc1ccc(cc1)C(=O)NCC(=O)NCC1c2ccccc2COc2ccc(F)cc12 Show InChI InChI=1S/C24H20F2N2O3/c25-17-7-5-15(6-8-17)24(30)28-13-23(29)27-12-21-19-4-2-1-3-16(19)14-31-22-10-9-18(26)11-20(21)22/h1-11,21H,12-14H2,(H,27,29)(H,28,30)	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	>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