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BDBM50159205 CHEMBL3785233

SMILES: OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN\C(N)=N/C(=O)NCCOCCOCCN)NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(O)=O

InChI Key: InChIKey=SOSPHCNRKYAXFX-RHCBEVTESA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50159205   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
Dopamine receptor D2L/neurotensin receptor NTS1


(Homo sapiens (Human))		BDBM50159205
PNG
(CHEMBL3785233)
Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN\C(N)=N/C(=O)NCCOCCOCCN)NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(O)=O |r|
Show InChI InChI=1S/C45H78N14O11.4C2HF3O2/c1-5-28(4)36(40(64)56-34(42(66)67)25-27(2)3)57-38(62)33(26-29-12-14-30(60)15-13-29)55-39(63)35-11-8-20-59(35)41(65)32(54-37(61)31(47)9-6-17-51-43(48)49)10-7-18-52-44(50)58-45(68)53-19-22-70-24-23-69-21-16-46;4*3-2(4,5)1(6)7/h12-15,27-28,31-36,60H,5-11,16-26,46-47H2,1-4H3,(H,54,61)(H,55,63)(H,56,64)(H,57,62)(H,66,67)(H4,48,49,51)(H4,50,52,53,58,68);4*(H,6,7)/t28-,31-,32-,33-,34-,35-,36-;;;;/m0..../s1
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Similars
PubMed
 0.360n/an/an/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Displacement of [3H]-{Nomega-[N-(4-propanoylaminobutyl)aminocarbonyl]}Arg-Arg-ProTyr-Ile-Leu-OH Tris(hydrotrifluoroacetate) from NTSR1 in human HT-29...

J Med Chem 59: 1925-45 (2016)


BindingDB Entry DOI: 10.7270/Q2V69MGK
More data for this
Ligand-Target Pair