BDBM85194 Ac-RYYRWR-NH2

SMILES: CC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCN=C(N)N)C(N)=O

InChI Key: InChIKey=RQIUXUDAJVJWHH-UNHORJANSA-N

Data: 1 KI

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 = 85194   

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
Nociceptin/Orphanin FQ, NOP receptor (MOUSE)	BDBM85194 (Ac-RYYRWR-NH2) Show SMILES CC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCN=C(N)N)C(N)=O |r,wU:27.27,50.51,4.3,wD:15.14,39.40,64.67,(-13.35,-1.51,;-12.02,-.73,;-12.02,.81,;-10.7,-1.51,;-9.35,-.73,;-9.35,.81,;-10.7,1.59,;-10.7,3.13,;-9.35,3.92,;-8.02,3.13,;-6.7,3.92,;-8.02,1.57,;-8.02,-1.51,;-8.02,-3.05,;-6.67,-.73,;-5.35,-1.51,;-5.35,-3.05,;-4,-3.84,;-4,-5.38,;-2.67,-6.16,;-1.32,-5.38,;,-6.16,;-1.32,-3.84,;-2.67,-3.05,;-4,-.73,;-4,.81,;-2.67,-1.51,;-1.32,-.73,;-1.32,.81,;,1.57,;,3.13,;1.32,3.92,;2.67,3.13,;4,3.92,;2.67,1.59,;1.32,.81,;,-1.51,;,-3.05,;1.32,-.73,;2.67,-1.51,;2.67,-3.05,;1.32,-3.84,;1.32,-5.38,;2.67,-6.16,;4,-5.38,;5.35,-6.16,;4,-3.84,;4,-.73,;4,.81,;5.35,-1.51,;6.67,-.73,;6.67,.81,;8.02,1.57,;9.51,1.11,;10.37,2.35,;9.51,3.59,;9.89,5.08,;8.75,6.16,;7.27,5.73,;6.89,4.19,;8.02,3.13,;8.02,-1.51,;8.02,-3.05,;9.35,-.73,;10.7,-1.51,;10.7,-3.05,;9.35,-3.84,;9.35,-5.38,;10.7,-6.16,;12.02,-5.38,;12.02,-3.84,;13.36,-6.15,;12.02,-.73,;13.35,-1.51,;12.02,.81,)| Show InChI InChI=1S/C49H69N17O9/c1-27(67)61-36(10-5-21-58-48(53)54)42(71)64-39(24-29-14-18-32(69)19-15-29)45(74)65-38(23-28-12-16-31(68)17-13-28)44(73)63-37(11-6-22-59-49(55)56)43(72)66-40(25-30-26-60-34-8-3-2-7-33(30)34)46(75)62-35(41(50)70)9-4-20-57-47(51)52/h2-3,7-8,12-19,26,35-40,60,68-69H,4-6,9-11,20-25H2,1H3,(H2,50,70)(H,61,67)(H,62,75)(H,63,73)(H,64,71)(H,65,74)(H,66,72)(H4,51,52,57)(H4,53,54,58)(H4,55,56,59)/t35-,36-,37-,38-,39-,40-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	0.600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Torrey Pines Institute for Molecular Studies Curated by PDSP Ki Database									J Pharmacol Exp Ther 283: 735-41 (1997) BindingDB Entry DOI: 10.7270/Q2JW8CDH
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