Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Calcitonin gene-related peptide 1' and Ligand = 'BDBM50150466'   

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 1 (Homo sapiens (Human))	BDBM50150466 (CHEMBL3770433) Show SMILES Cc1cc(C[C@@H](NC(=O)N2CCC(CC2)c2cccc3ccccc23)C(=O)N2CCC(CC2)N2CCCCC2)cc2cn[nH]c12 |r| Show InChI InChI=1S/C37H46N6O2/c1-26-22-27(23-30-25-38-40-35(26)30)24-34(36(44)42-20-14-31(15-21-42)41-16-5-2-6-17-41)39-37(45)43-18-12-29(13-19-43)33-11-7-9-28-8-3-4-10-32(28)33/h3-4,7-11,22-23,25,29,31,34H,2,5-6,12-21,24H2,1H3,(H,38,40)(H,39,45)/t34-/m1/s1	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	430	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Discovery Curated by ChEMBL					Assay Description Displacement of [125I]CGRP from alpha CGRP in human SK-N-MC cells after 2 hrs by scintillation counter				Bioorg Med Chem Lett 26: 1229-32 (2016) Article DOI: 10.1016/j.bmcl.2016.01.026 BindingDB Entry DOI: 10.7270/Q2NG4SH3
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