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 = 'BDBM50382768'   

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))	BDBM50382768 (CHEMBL2024598) Show SMILES Cc1cc(CC(NC(=O)N2CCC(CC2)N2Cc3ccccc3NC2=O)c2cc3ccccc3cn2)cc2cn[nH]c12 Show InChI InChI=1S/C33H33N7O2/c1-21-14-22(15-26-19-35-38-31(21)26)16-30(29-17-23-6-2-3-7-24(23)18-34-29)37-32(41)39-12-10-27(11-13-39)40-20-25-8-4-5-9-28(25)36-33(40)42/h2-9,14-15,17-19,27,30H,10-13,16,20H2,1H3,(H,35,38)(H,36,42)(H,37,41)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.820	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research& Development Curated by ChEMBL					Assay Description Displacement of [I125]CGRP from CGRP receptor in human SK-N-MC cell membrane after 2 hrs by gamma or scintillation counting				Bioorg Med Chem Lett 22: 2917-21 (2012) Article DOI: 10.1016/j.bmcl.2012.02.065 BindingDB Entry DOI: 10.7270/Q2FQ9XN0
					More data for this Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor (Homo sapiens (Human))	BDBM50382768 (CHEMBL2024598) Show SMILES Cc1cc(CC(NC(=O)N2CCC(CC2)N2Cc3ccccc3NC2=O)c2cc3ccccc3cn2)cc2cn[nH]c12 Show InChI InChI=1S/C33H33N7O2/c1-21-14-22(15-26-19-35-38-31(21)26)16-30(29-17-23-6-2-3-7-24(23)18-34-29)37-32(41)39-12-10-27(11-13-39)40-20-25-8-4-5-9-28(25)36-33(40)42/h2-9,14-15,17-19,27,30H,10-13,16,20H2,1H3,(H,35,38)(H,36,42)(H,37,41)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research& Development Curated by ChEMBL					Assay Description Antagonist activity at CGRP receptor in human SK-N-MC cells assessed as inhibition of CGRP-stimulated cAMP production				Bioorg Med Chem Lett 22: 2917-21 (2012) Article DOI: 10.1016/j.bmcl.2012.02.065 BindingDB Entry DOI: 10.7270/Q2FQ9XN0
					More data for this Ligand-Target Pair