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 = 'BDBM50302885'   

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))	BDBM50302885 (1-(1-((3R,6S)-6-(2,3-difluorophenyl)-2-oxo-1-(2,2,...) Show SMILES [O-][n+]1cccc2n(C3CCN(CC3)C(=O)N[C@@H]3CC[C@H](CN(CC(F)(F)F)C3=O)c3cccc(F)c3F)c(=O)[nH]c12 |r| Show InChI InChI=1S/C26H27F5N6O4/c27-18-4-1-3-17(21(18)28)15-6-7-19(23(38)35(13-15)14-26(29,30)31)32-24(39)34-11-8-16(9-12-34)37-20-5-2-10-36(41)22(20)33-25(37)40/h1-5,10,15-16,19H,6-9,11-14H2,(H,32,39)(H,33,40)/t15-,19-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	66	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]human CGRP from human CLR expressed in HEK 293 cells coexpressing human RAMP1 after 3 hrs by scintillation counting				Bioorg Med Chem Lett 19: 6368-72 (2009) Article DOI: 10.1016/j.bmcl.2009.09.066 BindingDB Entry DOI: 10.7270/Q2PC32FD
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