Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Calcitonin gene-related peptide type 1 receptor/Receptor activity-modifying protein 1' and Ligand = 'BDBM50541409'   

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/Receptor activity-modifying protein 1 (Homo sapiens (Human))	BDBM50541409 (CHEMBL4647045) Show SMILES COC(C)(C)c1cc(ccn1)-c1cc(ncc1N(C)c1cc(C)nc(C)c1)N1CCC(CC1)N1Cc2ccccc2NC(=O)C1 Show InChI InChI=1S/C36H43N7O2/c1-24-17-29(18-25(2)39-24)41(5)32-21-38-34(20-30(32)26-11-14-37-33(19-26)36(3,4)45-6)42-15-12-28(13-16-42)43-22-27-9-7-8-10-31(27)40-35(44)23-43/h7-11,14,17-21,28H,12-13,15-16,22-23H2,1-6H3,(H,40,44)	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.0450	n/a	n/a	n/a	n/a	n/a	n/a
Biohaven Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of human CLR/RAMP1 by cAMP assay				J Med Chem 63: 6600-6623 (2020) Article DOI: 10.1021/acs.jmedchem.9b01810 BindingDB Entry DOI: 10.7270/Q2GF0Z1G
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