Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Calcitonin gene-related peptide type 1 receptor' and Ligand = 'BDBM50315393'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Calcitonin gene-related peptide type 1 receptor (Homo sapiens (Human))	BDBM50315393 ((S)-N-(5'-fluoro-3-methyl-2,5-dioxo-1',3'-dihydros...) Show SMILES CN1C(=O)NC(=O)[C@]11Cc2cc(F)c(NC(=O)Cn3c4ccccc4n(-c4ccccn4)c3=O)cc2C1 |r| Show InChI InChI=1S/C26H21FN6O4/c1-31-24(36)30-23(35)26(31)12-15-10-17(27)18(11-16(15)13-26)29-22(34)14-32-19-6-2-3-7-20(19)33(25(32)37)21-8-4-5-9-28-21/h2-11H,12-14H2,1H3,(H,29,34)(H,30,35,36)/t26-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	720	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck& Co. Curated by ChEMBL					Assay Description Displacement of [125I]human CLR from human CGRP expressed in HEK293 cells coexpressing human RAMP1				Bioorg Med Chem Lett 20: 2572-6 (2010) Article DOI: 10.1016/j.bmcl.2010.02.086 BindingDB Entry DOI: 10.7270/Q2765FFZ
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