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 = 'BDBM50430068'   

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))	BDBM50430068 (CHEMBL2336414) Show SMILES O=C(N[C@H](Cc1cc(C#N)c2[nH]c(=O)oc2c1)C(=O)N1CCC(CC1)N1CCCCC1)N1CCC(CC1)N1Cc2ccccc2NC1=O |r| Show InChI InChI=1S/C35H42N8O5/c36-21-25-18-23(20-30-31(25)39-35(47)48-30)19-29(32(44)41-14-8-26(9-15-41)40-12-4-1-5-13-40)38-33(45)42-16-10-27(11-17-42)43-22-24-6-2-3-7-28(24)37-34(43)46/h2-3,6-7,18,20,26-27,29H,1,4-5,8-17,19,22H2,(H,37,46)(H,38,45)(H,39,47)/t29-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research& Development Curated by ChEMBL					Assay Description Binding affinity to CGRP receptor (unknown origin)				Bioorg Med Chem Lett 23: 1870-3 (2013) Article DOI: 10.1016/j.bmcl.2013.01.011 BindingDB Entry DOI: 10.7270/Q2WD41XV
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