Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Calcitonin gene-related peptide 1' and Ligand = 'BDBM50150461'   

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))	BDBM50150461 (CHEMBL3769447) Show SMILES COC(=O)c1ccccc1N1CCN(CC1)C(=O)N[C@H](Cc1cc(C)c2[nH]ncc2c1)C(=O)N1CCC(CC1)N1CCCCC1 |r| Show InChI InChI=1S/C34H45N7O4/c1-24-20-25(21-26-23-35-37-31(24)26)22-29(32(42)40-14-10-27(11-15-40)38-12-6-3-7-13-38)36-34(44)41-18-16-39(17-19-41)30-9-5-4-8-28(30)33(43)45-2/h4-5,8-9,20-21,23,27,29H,3,6-7,10-19,22H2,1-2H3,(H,35,37)(H,36,44)/t29-/m1/s1	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	110	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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