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 = 'BDBM50192552'   

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))	BDBM50192552 ((R)-4-(2-oxo-4-(4-(trifluoromethoxy)phenyl)-2,3-di...) Show SMILES FC(F)(F)CN1c2ccccc2C(=N[C@@H](NC(=O)N2CCC(CC2)n2cc([nH]c2=O)-c2ccc(OC(F)(F)F)cc2)C1=O)c1ccccc1 |c:13| Show InChI InChI=1S/C33H28F6N6O4/c34-32(35,36)19-45-26-9-5-4-8-24(26)27(21-6-2-1-3-7-21)41-28(29(45)46)42-30(47)43-16-14-22(15-17-43)44-18-25(40-31(44)48)20-10-12-23(13-11-20)49-33(37,38)39/h1-13,18,22,28H,14-17,19H2,(H,40,48)(H,42,47)/t28-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	104	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]CGRP from human recombinant CGRP receptor				Bioorg Med Chem Lett 16: 5052-6 (2006) Article DOI: 10.1016/j.bmcl.2006.07.044 BindingDB Entry DOI: 10.7270/Q29S1QNX
					More data for this Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor (Homo sapiens (Human))	BDBM50192552 ((R)-4-(2-oxo-4-(4-(trifluoromethoxy)phenyl)-2,3-di...) Show SMILES FC(F)(F)CN1c2ccccc2C(=N[C@@H](NC(=O)N2CCC(CC2)n2cc([nH]c2=O)-c2ccc(OC(F)(F)F)cc2)C1=O)c1ccccc1 |c:13| Show InChI InChI=1S/C33H28F6N6O4/c34-32(35,36)19-45-26-9-5-4-8-24(26)27(21-6-2-1-3-7-21)41-28(29(45)46)42-30(47)43-16-14-22(15-17-43)44-18-25(40-31(44)48)20-10-12-23(13-11-20)49-33(37,38)39/h1-13,18,22,28H,14-17,19H2,(H,40,48)(H,42,47)/t28-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	431	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Activity at CGRP receptor assessed as inhibition of CGRP-stimulated cAMP production				Bioorg Med Chem Lett 16: 5052-6 (2006) Article DOI: 10.1016/j.bmcl.2006.07.044 BindingDB Entry DOI: 10.7270/Q29S1QNX
					More data for this Ligand-Target Pair