Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Calcitonin gene-related peptide type 1 receptor' and Ligand = 'BDBM50447357'   

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))	BDBM50447357 (CHEMBL3114464) Show SMILES O=C(CC1SC(N(CC2CCCO2)C1=O)c1ccccc1)N1CCC(CC1)N1Cc2ccccc2NC1=O Show InChI InChI=1S/C29H34N4O4S/c34-26(31-14-12-22(13-15-31)32-18-21-9-4-5-11-24(21)30-29(32)36)17-25-27(35)33(19-23-10-6-16-37-23)28(38-25)20-7-2-1-3-8-20/h1-5,7-9,11,22-23,25,28H,6,10,12-19H2,(H,30,36)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	68	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Displacement of [125I]CGRP from CGRP receptor in human SK-N-MC cell membranes preincubated for 30 mins followed by radioligand addition measured afte...				Bioorg Med Chem Lett 24: 845-9 (2014) Article DOI: 10.1016/j.bmcl.2013.12.089 BindingDB Entry DOI: 10.7270/Q2FJ2J84
					More data for this Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor (Homo sapiens (Human))	BDBM50447357 (CHEMBL3114464) Show SMILES O=C(CC1SC(N(CC2CCCO2)C1=O)c1ccccc1)N1CCC(CC1)N1Cc2ccccc2NC1=O Show InChI InChI=1S/C29H34N4O4S/c34-26(31-14-12-22(13-15-31)32-18-21-9-4-5-11-24(21)30-29(32)36)17-25-27(35)33(19-23-10-6-16-37-23)28(38-25)20-7-2-1-3-8-20/h1-5,7-9,11,22-23,25,28H,6,10,12-19H2,(H,30,36)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	520	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Antagonist activity at CGRP receptor in human SK-N-MC cells assessed as inhibition of CGRP-stimulated cAMP production preincubated for 30 mins follow...				Bioorg Med Chem Lett 24: 845-9 (2014) Article DOI: 10.1016/j.bmcl.2013.12.089 BindingDB Entry DOI: 10.7270/Q2FJ2J84
					More data for this Ligand-Target Pair