BDBM50244993 4-(3-phenyl-1,2,4-thiadiazol-5-yl)-N-(pyridin-3-yl)piperazine-1-carboxamide::CHEMBL513553

SMILES: O=C(Nc1cccnc1)N1CCN(CC1)c1nc(ns1)-c1ccccc1

InChI Key: InChIKey=RCAFZHFLIBYWGO-UHFFFAOYSA-N

Data: 4 IC50

PDB links: 1 PDB ID matches this monomer.

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 = 50244993   

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
Fatty-acid amide hydrolase 1 (FAAH) (Homo sapiens (Human))	BDBM50244993 (4-(3-phenyl-1,2,4-thiadiazol-5-yl)-N-(pyridin-3-yl...) Show SMILES O=C(Nc1cccnc1)N1CCN(CC1)c1nc(ns1)-c1ccccc1 Show InChI InChI=1S/C18H18N6OS/c25-17(20-15-7-4-8-19-13-15)23-9-11-24(12-10-23)18-21-16(22-26-18)14-5-2-1-3-6-14/h1-8,13H,9-12H2,(H,20,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	9.80	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Inhibition of human FAAH preincubated for 10 mins				Bioorg Med Chem Lett 18: 4838-43 (2008) Article DOI: 10.1016/j.bmcl.2008.07.081 BindingDB Entry DOI: 10.7270/Q23T9H2B
					More data for this Ligand-Target Pair
Fatty-acid amide hydrolase 1 (FAAH) (Homo sapiens (Human))	BDBM50244993 (4-(3-phenyl-1,2,4-thiadiazol-5-yl)-N-(pyridin-3-yl...) Show SMILES O=C(Nc1cccnc1)N1CCN(CC1)c1nc(ns1)-c1ccccc1 Show InChI InChI=1S/C18H18N6OS/c25-17(20-15-7-4-8-19-13-15)23-9-11-24(12-10-23)18-21-16(22-26-18)14-5-2-1-3-6-14/h1-8,13H,9-12H2,(H,20,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	2.40	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Ltd Curated by ChEMBL					Assay Description Apparent inhibition of human FAAH expressed in CHO-K1 cells using ethanolamine 1-3[H] as substrate after 30 mins by liquid scintillation counting				Bioorg Med Chem 21: 28-41 (2012) Article DOI: 10.1016/j.bmc.2012.11.006 BindingDB Entry DOI: 10.7270/Q2FN17H6
					More data for this Ligand-Target Pair
Anandamide amidohydrolase (Rattus norvegicus (rat))	BDBM50244993 (4-(3-phenyl-1,2,4-thiadiazol-5-yl)-N-(pyridin-3-yl...) Show SMILES O=C(Nc1cccnc1)N1CCN(CC1)c1nc(ns1)-c1ccccc1 Show InChI InChI=1S/C18H18N6OS/c25-17(20-15-7-4-8-19-13-15)23-9-11-24(12-10-23)18-21-16(22-26-18)14-5-2-1-3-6-14/h1-8,13H,9-12H2,(H,20,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	3.80	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Ltd Curated by ChEMBL					Assay Description Apparent inhibition of rat FAAH after 30 mins				Bioorg Med Chem 21: 28-41 (2012) Article DOI: 10.1016/j.bmc.2012.11.006 BindingDB Entry DOI: 10.7270/Q2FN17H6
					More data for this Ligand-Target Pair				3D Structure (crystal)
Anandamide amidohydrolase (Rattus norvegicus (rat))	BDBM50244993 (4-(3-phenyl-1,2,4-thiadiazol-5-yl)-N-(pyridin-3-yl...) Show SMILES O=C(Nc1cccnc1)N1CCN(CC1)c1nc(ns1)-c1ccccc1 Show InChI InChI=1S/C18H18N6OS/c25-17(20-15-7-4-8-19-13-15)23-9-11-24(12-10-23)18-21-16(22-26-18)14-5-2-1-3-6-14/h1-8,13H,9-12H2,(H,20,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	8.70	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Inhibition of rat FAAH preincubated for 10 mins				Bioorg Med Chem Lett 18: 4838-43 (2008) Article DOI: 10.1016/j.bmcl.2008.07.081 BindingDB Entry DOI: 10.7270/Q23T9H2B
					More data for this Ligand-Target Pair				3D Structure (crystal)