BDBM50159225 CHEMBL3786583

SMILES: OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CC(C)C[C@H](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](C)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN\C(N)=N/C(=O)NCCCCN)C(=O)N[C@@H](Cc1ccccc1)C(N)=O

InChI Key: InChIKey=BLNJCQPCLMLZSB-FVXXQQPCSA-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 = 50159225   

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))	BDBM50159225 (CHEMBL3786583) Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CC(C)C[C@H](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](C)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN\C(N)=N/C(=O)NCCCCN)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r| Show InChI InChI=1S/C70H101N19O17.3C2HF3O2/c1-38(2)32-51(85-66(103)54(37-90)87-65(102)53(35-43-36-78-47-17-9-8-16-45(43)47)86-64(101)52(34-42-20-22-44(91)23-21-42)84-60(97)46(72)24-27-57(93)94)63(100)79-39(3)59(96)80-40(4)68(105)89-31-13-19-55(89)67(104)82-49(25-26-56(73)92)62(99)81-48(18-12-30-76-69(75)88-70(106)77-29-11-10-28-71)61(98)83-50(58(74)95)33-41-14-6-5-7-15-41;3*3-2(4,5)1(6)7/h5-9,14-17,20-23,36,38-40,46,48-55,78,90-91H,10-13,18-19,24-35,37,71-72H2,1-4H3,(H2,73,92)(H2,74,95)(H,79,100)(H,80,96)(H,81,99)(H,82,104)(H,83,98)(H,84,97)(H,85,103)(H,86,101)(H,87,102)(H,93,94)(H4,75,76,77,88,106);3*(H,6,7)/t39-,40-,46-,48-,49-,50-,51-,52-,53-,54-,55-;;;/m0.../s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	27	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