BDBM50159226 CHEMBL3786376

SMILES: OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CCC(=O)NCCCCNC(=O)\N=C(\N)NCCC[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O

InChI Key: InChIKey=XNUKDCGUQDKTQA-MPZHAKQISA-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 = 50159226   

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
NPFF2 (Homo sapiens (Human))	BDBM50159226 (CHEMBL3786376) Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CCC(=O)NCCCCNC(=O)\N=C(\N)NCCC[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r| Show InChI InChI=1S/C73H105N19O18.2C2HF3O2/c1-6-59(96)78-30-12-13-31-80-73(110)91-72(77)79-32-14-20-50(64(102)86-52(61(76)99)35-43-16-8-7-9-17-43)84-65(103)51(27-28-58(75)95)85-70(108)57-21-15-33-92(57)71(109)42(5)83-62(100)41(4)82-66(104)53(34-40(2)3)88-69(107)56(39-93)90-68(106)55(37-45-38-81-49-19-11-10-18-47(45)49)89-67(105)54(36-44-22-24-46(94)25-23-44)87-63(101)48(74)26-29-60(97)98;2*3-2(4,5)1(6)7/h7-11,16-19,22-25,38,40-42,48,50-57,81,93-94H,6,12-15,20-21,26-37,39,74H2,1-5H3,(H2,75,95)(H2,76,99)(H,78,96)(H,82,104)(H,83,100)(H,84,103)(H,85,108)(H,86,102)(H,87,101)(H,88,107)(H,89,105)(H,90,106)(H,97,98)(H4,77,79,80,91,110);2*(H,6,7)/t41-,42-,48-,50-,51-,52-,53-,54-,55-,56-,57-;;/m0../s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	41	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Regensburg Curated by ChEMBL					Assay Description Displacement of [3H]EYE from human NPFF2 receptor expressed in CHO cell membranes after 1 hr by liquid scintillation spectrophotometric counting				J Med Chem 59: 1925-45 (2016) BindingDB Entry DOI: 10.7270/Q2V69MGK
					More data for this Ligand-Target Pair