BDBM224033 Dynorphin A (1-9)::YGGFLRRXR

SMILES: CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O

InChI Key: InChIKey=JFYHXVZXGWKQDV-ZNKHOMLWSA-N

Data: 1 EC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 224033   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Mas-related G protein-coupled receptor X2 (MRGPRX2) (Homo sapiens (Human))	BDBM224033 (Dynorphin A (1-9) | YGGFLRRXR) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O Show InChI InChI=1S/C53H86N18O11/c1-6-30(4)42(49(80)69-38(50(81)82)17-12-24-63-53(59)60)71-46(77)37(16-11-23-62-52(57)58)67-45(76)36(15-10-22-61-51(55)56)68-47(78)39(25-29(2)3)70-48(79)40(27-32-13-8-7-9-14-32)66-41(73)28-64-43(74)31(5)65-44(75)35(54)26-33-18-20-34(72)21-19-33/h7-9,13-14,18-21,29-31,35-40,42,72H,6,10-12,15-17,22-28,54H2,1-5H3,(H,64,74)(H,65,75)(H,66,73)(H,67,76)(H,68,78)(H,69,80)(H,70,79)(H,71,77)(H,81,82)(H4,55,56,61)(H4,57,58,62)(H4,59,60,63)/t30-,31+,35-,36-,37-,38-,39-,40-,42-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	1.50E+4	n/a	n/a	7.4	30
University of North Carolina					Assay Description MRGPRX2 stable cells were maintained in DMEM containing 10% FBS, 100 μg/ml hygromycin B, and 15 μg/ml blasticidin. For the calcium mobiliza...				Nat Chem Biol 13: 529-536 (2017) Article DOI: 10.1038/nchembio.2334 BindingDB Entry DOI: 10.7270/Q20R9N82
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