Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 924.0 BDBM50062219

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 1 hit in this display   

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))	BDBM50062219 (CHEMBL20034 | PTDVGAFAF) Show SMILES CC(C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1)[C@@H](C)O)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(O)=O Show InChI InChI=1S/C44H61N9O13/c1-23(2)35(52-41(62)31(21-34(56)57)50-43(64)36(26(5)54)53-39(60)29-17-12-18-45-29)42(63)46-22-33(55)47-24(3)37(58)49-30(19-27-13-8-6-9-14-27)40(61)48-25(4)38(59)51-32(44(65)66)20-28-15-10-7-11-16-28/h6-11,13-16,23-26,29-32,35-36,45,54H,12,17-22H2,1-5H3,(H,46,63)(H,47,55)(H,48,61)(H,49,58)(H,50,64)(H,51,59)(H,52,62)(H,53,60)(H,56,57)(H,65,66)/t24-,25-,26+,29-,30-,31-,32-,35-,36-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	220	n/a	n/a	n/a	n/a	n/a	n/a
ETH Zürich Curated by ChEMBL					Assay Description CGRP1 receptor affinity on human neuroblastoma cells SK-N-MC, which selectively express the human CGRP1 receptor.				J Med Chem 41: 117-23 (1998) Article DOI: 10.1021/jm970533r BindingDB Entry DOI: 10.7270/Q2736Q0S
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