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 = 'BDBM50224427'   

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))	BDBM50224427 (CHEMBL241117 | N-[(3R)-6-benzyl-2-oxoazepan-3-yl]-...) Show SMILES O=C(N[C@@H]1CCC(Cc2ccccc2)CNC1=O)N1CCC(CC1)n1c2cccnc2[nH]c1=O Show InChI InChI=1S/C25H30N6O3/c32-23-20(9-8-18(16-27-23)15-17-5-2-1-3-6-17)28-24(33)30-13-10-19(11-14-30)31-21-7-4-12-26-22(21)29-25(31)34/h1-7,12,18-20H,8-11,13-16H2,(H,27,32)(H,28,33)(H,26,29,34)/t18?,20-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	610	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]CGPR from human CL receptor expressed in HEK293 cells				J Med Chem 50: 5564-7 (2007) Article DOI: 10.1021/jm070668p BindingDB Entry DOI: 10.7270/Q28C9W02
					More data for this Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor (Homo sapiens (Human))	BDBM50224427 (CHEMBL241117 | N-[(3R)-6-benzyl-2-oxoazepan-3-yl]-...) Show SMILES O=C(N[C@@H]1CCC(Cc2ccccc2)CNC1=O)N1CCC(CC1)n1c2cccnc2[nH]c1=O Show InChI InChI=1S/C25H30N6O3/c32-23-20(9-8-18(16-27-23)15-17-5-2-1-3-6-17)28-24(33)30-13-10-19(11-14-30)31-21-7-4-12-26-22(21)29-25(31)34/h1-7,12,18-20H,8-11,13-16H2,(H,27,32)(H,28,33)(H,26,29,34)/t18?,20-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	920	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Antagonist activity at human CL receptor expressed in E10 cells assessed as CGRP-stimulated cAMP production				J Med Chem 50: 5564-7 (2007) Article DOI: 10.1021/jm070668p BindingDB Entry DOI: 10.7270/Q28C9W02
					More data for this Ligand-Target Pair