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 = 'BDBM50382796'   

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))	BDBM50382796 (CHEMBL2024603) Show SMILES Cc1cc(CC(OC(=O)N2CCC(CC2)N2Cc3ccccc3NC2=O)c2cc(C=O)ccn2)cc2cn[nH]c12 Show InChI InChI=1S/C30H30N6O4/c1-19-12-21(13-23-16-32-34-28(19)23)15-27(26-14-20(18-37)6-9-31-26)40-30(39)35-10-7-24(8-11-35)36-17-22-4-2-3-5-25(22)33-29(36)38/h2-6,9,12-14,16,18,24,27H,7-8,10-11,15,17H2,1H3,(H,32,34)(H,33,38)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.210	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))	BDBM50382796 (CHEMBL2024603) Show SMILES Cc1cc(CC(OC(=O)N2CCC(CC2)N2Cc3ccccc3NC2=O)c2cc(C=O)ccn2)cc2cn[nH]c12 Show InChI InChI=1S/C30H30N6O4/c1-19-12-21(13-23-16-32-34-28(19)23)15-27(26-14-20(18-37)6-9-31-26)40-30(39)35-10-7-24(8-11-35)36-17-22-4-2-3-5-25(22)33-29(36)38/h2-6,9,12-14,16,18,24,27H,7-8,10-11,15,17H2,1H3,(H,32,34)(H,33,38)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.280	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