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 = 'BDBM50422948'   

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))	BDBM50422948 (CHEMBL413872) Show SMILES CC(C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](N)Cc1ccccc1)C(C)C)[C@@H](C)O)C(=O)NNC(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C59H81N13O14/c1-32(2)46(66-53(80)42(31-45(74)75)65-56(83)48(35(6)73)68-55(82)43-24-16-26-71(43)58(85)47(33(3)4)67-51(78)39(60)28-36-18-10-7-11-19-36)57(84)69-70-59(86)72-27-17-25-44(72)54(81)64-41(30-38-22-14-9-15-23-38)52(79)62-34(5)50(77)63-40(49(61)76)29-37-20-12-8-13-21-37/h7-15,18-23,32-35,39-44,46-48,73H,16-17,24-31,60H2,1-6H3,(H2,61,76)(H,62,79)(H,63,77)(H,64,81)(H,65,83)(H,66,80)(H,67,78)(H,68,82)(H,69,84)(H,70,86)(H,74,75)/t34-,35+,39+,40-,41-,42-,43-,44-,46-,47-,48-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	68	n/a	n/a	n/a	n/a	n/a	n/a
Université de Montréal Curated by ChEMBL					Assay Description Antagonist activity against human CGRP1 expressed in HEK293 cells assessed as inhibition of human alpha-CGRP-promoted cAMP production				J Med Chem 50: 1401-8 (2007) Article DOI: 10.1021/jm061343w BindingDB Entry DOI: 10.7270/Q280529V
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