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 = 'BDBM362176'   

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))	BDBM362176 (US10272077, Example 30 | US9833448, Example 30) Show SMILES C[C@@H]1[C@@H](C[C@H](NC(=O)c2cnc3C[C@]4(Cc3c2)C(=O)Nc2ncc(cc42)C#N)C(=O)N1CC(F)(F)F)c1ccccc1 |r| Show InChI InChI=1S/C30H25F3N6O3/c1-16-21(18-5-3-2-4-6-18)9-23(27(41)39(16)15-30(31,32)33)37-26(40)20-8-19-10-29(11-24(19)35-14-20)22-7-17(12-34)13-36-25(22)38-28(29)42/h2-8,13-14,16,21,23H,9-11,15H2,1H3,(H,37,40)(H,36,38,42)/t16-,21-,23+,29+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.140	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline					Assay Description The binding of 125I-CGRP to receptors in SK-N-MC cell membranes was carried out essentially as described (Edvinsson et al. (2001) Eur. J. Pharmacol. ...				J Med Chem 51: 5663-79 (2008) BindingDB Entry DOI: 10.7270/Q25X2C8C
					More data for this Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor (Homo sapiens (Human))	BDBM362176 (US10272077, Example 30 | US9833448, Example 30) Show SMILES C[C@@H]1[C@@H](C[C@H](NC(=O)c2cnc3C[C@]4(Cc3c2)C(=O)Nc2ncc(cc42)C#N)C(=O)N1CC(F)(F)F)c1ccccc1 |r| Show InChI InChI=1S/C30H25F3N6O3/c1-16-21(18-5-3-2-4-6-18)9-23(27(41)39(16)15-30(31,32)33)37-26(40)20-8-19-10-29(11-24(19)35-14-20)22-7-17(12-34)13-36-25(22)38-28(29)42/h2-8,13-14,16,21,23H,9-11,15H2,1H3,(H,37,40)(H,36,38,42)/t16-,21-,23+,29+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.140	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Cells were resuspended in DMEM/F12 (Hyclone) supplemented with 1 g/L BSA and 300 μM isobutyl-methylxanthine. Cells were then plated in a 384-wel...				US Patent US9833448 (2017) BindingDB Entry DOI: 10.7270/Q2BP052K
					More data for this Ligand-Target Pair