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 = 'BDBM50441046'   

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))	BDBM50441046 (CHEMBL2430169) Show SMILES Cc1cc(Cn2ccnc2C(Cc2cc(C)c3[nH]ncc3c2)NC(=O)N2CCC(CC2)N2Cc3ccccc3NC2=O)ccn1 Show InChI InChI=1S/C34H37N9O2/c1-22-15-25(17-27-19-37-40-31(22)27)18-30(32-36-11-14-42(32)20-24-7-10-35-23(2)16-24)39-33(44)41-12-8-28(9-13-41)43-21-26-5-3-4-6-29(26)38-34(43)45/h3-7,10-11,14-17,19,28,30H,8-9,12-13,18,20-21H2,1-2H3,(H,37,40)(H,38,45)(H,39,44)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.130	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Antagonist activity at human CGRP receptor expressed in human SK-N-MC cells assessed as inhibition of CGRP-stimulated cAMP production				Bioorg Med Chem Lett 23: 5684-8 (2013) Article DOI: 10.1016/j.bmcl.2013.08.031 BindingDB Entry DOI: 10.7270/Q2BZ67H8
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