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 = 'BDBM50382781'   

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))	BDBM50382781 (CHEMBL2022603) Show SMILES Cc1cc(CC(OC(=O)N2CCC(CC2)c2cc3ccccc3[nH]c2=O)c2cc(CN3CCCCC3)ccn2)cc2cn[nH]c12 Show InChI InChI=1S/C36H40N6O3/c1-24-17-26(18-29-22-38-40-34(24)29)20-33(32-19-25(9-12-37-32)23-41-13-5-2-6-14-41)45-36(44)42-15-10-27(11-16-42)30-21-28-7-3-4-8-31(28)39-35(30)43/h3-4,7-9,12,17-19,21-22,27,33H,2,5-6,10-11,13-16,20,23H2,1H3,(H,38,40)(H,39,43)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.100	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
Calcitonin gene-related peptide type 1 receptor (Homo sapiens (Human))	BDBM50382781 (CHEMBL2022603) Show SMILES Cc1cc(CC(OC(=O)N2CCC(CC2)c2cc3ccccc3[nH]c2=O)c2cc(CN3CCCCC3)ccn2)cc2cn[nH]c12 Show InChI InChI=1S/C36H40N6O3/c1-24-17-26(18-29-22-38-40-34(24)29)20-33(32-19-25(9-12-37-32)23-41-13-5-2-6-14-41)45-36(44)42-15-10-27(11-16-42)30-21-28-7-3-4-8-31(28)39-35(30)43/h3-4,7-9,12,17-19,21-22,27,33H,2,5-6,10-11,13-16,20,23H2,1H3,(H,38,40)(H,39,43)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.160	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