Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 1184.3 BDBM50062176

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))	BDBM50062176 (CHEMBL411804 | FVPTDVG-Aib-FAF) Show SMILES CC(C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccccc1)C(C)C)[C@@H](C)O)C(=O)NCC(=O)NC(C)(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/C59H81N11O15/c1-32(2)46(54(80)61-31-44(72)69-59(7,8)58(85)65-40(28-37-21-14-10-15-22-37)51(77)62-34(5)49(75)64-42(57(83)84)29-38-23-16-11-17-24-38)66-52(78)41(30-45(73)74)63-55(81)48(35(6)71)68-53(79)43-25-18-26-70(43)56(82)47(33(3)4)67-50(76)39(60)27-36-19-12-9-13-20-36/h9-17,19-24,32-35,39-43,46-48,71H,18,25-31,60H2,1-8H3,(H,61,80)(H,62,77)(H,63,81)(H,64,75)(H,65,85)(H,66,78)(H,67,76)(H,68,79)(H,69,72)(H,73,74)(H,83,84)/t34-,35+,39-,40-,41-,42-,43-,46-,47-,48-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	170	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
					More data for this Ligand-Target Pair