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 = 'BDBM50246366'   

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))	BDBM50246366 ((R)-3-(3-(2-(3-methyl-2,5-dioxo-1',3'-dihydrospiro...) Show SMILES CN1C(=O)NC(=O)[C@]11Cc2ccc(NC(=O)Cn3c4ccccc4n(CCC(N)=O)c3=O)cc2C1 |r| Show InChI InChI=1S/C24H24N6O5/c1-28-22(34)27-21(33)24(28)11-14-6-7-16(10-15(14)12-24)26-20(32)13-30-18-5-3-2-4-17(18)29(23(30)35)9-8-19(25)31/h2-7,10H,8-9,11-13H2,1H3,(H2,25,31)(H,26,32)(H,27,33,34)/t24-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	31	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]hCGRP from human cloned CGRP receptor expressed in HEK93 cells				Bioorg Med Chem Lett 18: 6122-5 (2008) Article DOI: 10.1016/j.bmcl.2008.10.019 BindingDB Entry DOI: 10.7270/Q24Q7TTF
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