BDBM50471827 CHEMBL284521

SMILES: CC(=O)NCCc1c[nH]c2ccc(F)cc12

InChI Key: InChIKey=UDLASALUJLTGJV-UHFFFAOYSA-N

Data: 1 KI  2 IC50

PDB links: 4 PDB IDs match 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 3 hits for monomerid = 50471827   

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
Melatonin receptor (Homo sapiens (Human))	BDBM50471827 (CHEMBL284521) Show SMILES CC(=O)NCCc1c[nH]c2ccc(F)cc12 Show InChI InChI=1S/C12H13FN2O/c1-8(16)14-5-4-9-7-15-12-3-2-10(13)6-11(9)12/h2-3,6-7,15H,4-5H2,1H3,(H,14,16)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	73	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Milano Curated by ChEMBL					Assay Description Binding affinity for Melatonin receptor using 2-[125I]iodomelatonin as radioligand				J Med Chem 41: 3831-44 (1998) Article DOI: 10.1021/jm9810093 BindingDB Entry DOI: 10.7270/Q2ZC85M8
					More data for this Ligand-Target Pair
Palmitoleoyl-protein carboxylesterase NOTUM (Homo sapiens (Human))	BDBM50471827 (CHEMBL284521) Show SMILES CC(=O)NCCc1c[nH]c2ccc(F)cc12 Show InChI InChI=1S/C12H13FN2O/c1-8(16)14-5-4-9-7-15-12-3-2-10(13)6-11(9)12/h2-3,6-7,15H,4-5H2,1H3,(H,14,16)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB PubMed	n/a	n/a	3.72E+4	n/a	n/a	n/a	n/a	n/a	n/a
University College London Curated by ChEMBL					Assay Description Inhibition of human Notum (S81 to T451 residues) Cys330Ser mutant expressed in HEK293S GnTI cells using OPTS as substrate by fluorescence based assay				J Med Chem 63: 9464-9483 (2020)
					More data for this Ligand-Target Pair				3D Structure (crystal)
Melatonin receptor (Homo sapiens (Human))	BDBM50471827 (CHEMBL284521) Show SMILES CC(=O)NCCc1c[nH]c2ccc(F)cc12 Show InChI InChI=1S/C12H13FN2O/c1-8(16)14-5-4-9-7-15-12-3-2-10(13)6-11(9)12/h2-3,6-7,15H,4-5H2,1H3,(H,14,16)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	295	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Milano Curated by ChEMBL					Assay Description inhibitory concentration against Melatonin receptor				J Med Chem 41: 3831-44 (1998) Article DOI: 10.1021/jm9810093 BindingDB Entry DOI: 10.7270/Q2ZC85M8
					More data for this Ligand-Target Pair