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 = 'BDBM50302888'   

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))	BDBM50302888 (CHEMBL570626 | N-((3R,6S)-6-(2,3-difluorophenyl)-2...) Show SMILES Fc1cccc([C@@H]2CC[C@@H](NC(=O)N3CCC(CC3)c3cc(n[nH]c3=O)-c3ccccc3)C(=O)N(CC(F)(F)F)C2)c1F |r| Show InChI InChI=1S/C30H30F5N5O3/c31-23-8-4-7-21(26(23)32)20-9-10-24(28(42)40(16-20)17-30(33,34)35)36-29(43)39-13-11-18(12-14-39)22-15-25(37-38-27(22)41)19-5-2-1-3-6-19/h1-8,15,18,20,24H,9-14,16-17H2,(H,36,43)(H,38,41)/t20-,24-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	240	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]human CGRP from human CLR expressed in HEK 293 cells coexpressing human RAMP1 after 3 hrs by scintillation counting				Bioorg Med Chem Lett 19: 6368-72 (2009) Article DOI: 10.1016/j.bmcl.2009.09.066 BindingDB Entry DOI: 10.7270/Q2PC32FD
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