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 = 'BDBM50382782'   

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))	BDBM50382782 (CHEMBL2022604) Show SMILES Cc1cc(CC(OC(=O)N2CCC(CC2)c2cc3ccccc3[nH]c2=O)c2cc(CN3CCCC3)ccn2)cc2cn[nH]c12 Show InChI InChI=1S/C35H38N6O3/c1-23-16-25(17-28-21-37-39-33(23)28)19-32(31-18-24(8-11-36-31)22-40-12-4-5-13-40)44-35(43)41-14-9-26(10-15-41)29-20-27-6-2-3-7-30(27)38-34(29)42/h2-3,6-8,11,16-18,20-21,26,32H,4-5,9-10,12-15,19,22H2,1H3,(H,37,39)(H,38,42)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.240	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research& Development Curated by ChEMBL					Assay Description Displacement of [I125]CGRP from CGRP receptor in human SK-N-MC cell membrane after 2 hrs by gamma or scintillation counting				Bioorg Med Chem Lett 22: 2917-21 (2012) Article DOI: 10.1016/j.bmcl.2012.02.065 BindingDB Entry DOI: 10.7270/Q2FQ9XN0
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