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 = 'BDBM50315395'   

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))	BDBM50315395 ((S)-3-methyl-2'-((2-oxo-3-(pyridin-2-yl)-2,3-dihyd...) Show SMILES CN1C(=O)NC(=O)[C@@]11Cc2cc3nc(Cn4c5ccccc5n(-c5ccccn5)c4=O)oc3cc2C1 |r| Show InChI InChI=1S/C26H20N6O4/c1-30-24(34)29-23(33)26(30)12-15-10-17-20(11-16(15)13-26)36-22(28-17)14-31-18-6-2-3-7-19(18)32(25(31)35)21-8-4-5-9-27-21/h2-11H,12-14H2,1H3,(H,29,33,34)/t26-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	6.00E+3	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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