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BDBM50350864 CHEMBL1819439

SMILES: CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](O)CSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCNC(=O)C(N)CC)C(=O)NCC(N)=O

InChI Key: InChIKey=GHLPGALHAQWKFK-RKDJKBHHSA-N

Data: 1 EC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50350864   
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
AVPR1A


(RAT)		BDBM50350864
PNG
(CHEMBL1819439)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](O)CSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCNC(=O)C(N)CC)C(=O)NCC(N)=O |r|
Show InChI InChI=1S/C45H69N13O13S2/c1-4-23(3)36-44(70)53-26(13-14-33(47)60)39(65)54-29(19-34(48)61)40(66)56-30(21-72-73-22-32(59)43(69)55-28(41(67)57-36)18-24-10-7-6-8-11-24)45(71)58-17-9-12-31(58)42(68)52-27(38(64)51-20-35(49)62)15-16-50-37(63)25(46)5-2/h6-8,10-11,23,25-32,36,59H,4-5,9,12-22,46H2,1-3H3,(H2,47,60)(H2,48,61)(H2,49,62)(H,50,63)(H,51,64)(H,52,68)(H,53,70)(H,54,65)(H,55,69)(H,56,66)(H,57,67)/t23-,25?,26-,27-,28-,29-,30-,31-,32-,36-/m0/s1
UniProtKB/SwissProt

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Article
PubMed
n/an/an/an/a 0.540n/an/an/an/a



Ferring Research Institute Inc.

Curated by ChEMBL


Assay Description
Agonist activity at recombinant rat vasopressin V1a receptor expressed in HEK293 cells by luciferase reporter gene assay

J Med Chem 54: 4388-98 (2011)


Article DOI: 10.1021/jm200278m
BindingDB Entry DOI: 10.7270/Q2JW8F8J
More data for this
Ligand-Target Pair