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 = 'BDBM50329170'   

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))	BDBM50329170 ((S)-N-benzyl-N-((2'-oxo-1',2',6,8-tetrahydrospiro[...) Show SMILES CC(C)(C)C(=O)N(Cc1ccccc1)Cc1cnc2cc3C[C@]4(Cc3cc2c1)C(=O)Nc1ncccc41 |r| Show InChI InChI=1S/C31H30N4O2/c1-30(2,3)29(37)35(18-20-8-5-4-6-9-20)19-21-12-22-13-23-15-31(16-24(23)14-26(22)33-17-21)25-10-7-11-32-27(25)34-28(31)36/h4-14,17H,15-16,18-19H2,1-3H3,(H,32,34,36)/t31-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.30	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 HEK293 cells				Bioorg Med Chem Lett 20: 6827-30 (2010) Article DOI: 10.1016/j.bmcl.2010.08.105 BindingDB Entry DOI: 10.7270/Q2Z89CNJ
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