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 = 'BDBM50387489'   

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))	BDBM50387489 (CHEMBL2059787) Show SMILES O=C(N[C@H](Cc1ccccc1)C(=O)N1CCC(CC1)N1CCCCC1)N1CCC(CC1)n1c2ccccc2[nH]c1=O |r| Show InChI InChI=1S/C32H42N6O3/c39-30(36-19-13-25(14-20-36)35-17-7-2-8-18-35)28(23-24-9-3-1-4-10-24)34-31(40)37-21-15-26(16-22-37)38-29-12-6-5-11-27(29)33-32(38)41/h1,3-6,9-12,25-26,28H,2,7-8,13-23H2,(H,33,41)(H,34,40)/t28-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	300	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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