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 = 'BDBM50387495'   

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))	BDBM50387495 (CHEMBL2059795) Show SMILES Oc1c(Br)cc(C[C@H](NC(=O)N2CCC(CC2)n2c3ccccc3[nH]c2=O)C(=O)N2CCC(CC2)N2CCCCC2)cc1Br |r| Show InChI InChI=1S/C32H40Br2N6O4/c33-24-18-21(19-25(34)29(24)41)20-27(30(42)38-14-8-22(9-15-38)37-12-4-1-5-13-37)36-31(43)39-16-10-23(11-17-39)40-28-7-3-2-6-26(28)35-32(40)44/h2-3,6-7,18-19,22-23,27,41H,1,4-5,8-17,20H2,(H,35,44)(H,36,43)/t27-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+3	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 Displacement of [125I]CGRP from CGRP receptor in human SK-N-MC cell membrane after 2 hrs				Bioorg Med Chem Lett 22: 4723-7 (2012) Article DOI: 10.1016/j.bmcl.2012.05.074 BindingDB Entry DOI: 10.7270/Q2SN0B1W
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