BindingDB logo
myBDB logout

null

SMILES: CC(C)N1CCN(CC1)C(=O)C(N1[C@H](\C=C\c2ccccc2)[C@H](N2[C@H](COC2=O)c2ccccc2)C1=O)C(=O)NCc1cccc(c1)C(F)(F)F

InChI Key: InChIKey=PVZHHQZPPIGFAX-SNEJJKSASA-N

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 = 50202853   
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
Vasopressin V1a receptor


(Homo sapiens (Human))		BDBM50202853
PNG
(CHEMBL396756 | N-(3-(trifluoromethyl)benzyl)-3-(4-...)
Show SMILES CC(C)N1CCN(CC1)C(=O)C(N1[C@H](\C=C\c2ccccc2)[C@H](N2[C@H](COC2=O)c2ccccc2)C1=O)C(=O)NCc1cccc(c1)C(F)(F)F |w:11.12|
Show InChI InChI=1S/C38H40F3N5O5/c1-25(2)43-18-20-44(21-19-43)35(48)33(34(47)42-23-27-12-9-15-29(22-27)38(39,40)41)45-30(17-16-26-10-5-3-6-11-26)32(36(45)49)46-31(24-51-37(46)50)28-13-7-4-8-14-28/h3-17,22,25,30-33H,18-21,23-24H2,1-2H3,(H,42,47)/b17-16+/t30-,31-,32+,33?/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 18.2n/an/an/an/an/an/an/an/a



Lehigh University

Curated by ChEMBL


Assay Description
Binding affinity for human cloned vasopressin V1a receptor expressed in CHO cells

Bioorg Med Chem 15: 2054-80 (2007)


Article DOI: 10.1016/j.bmc.2006.12.031
BindingDB Entry DOI: 10.7270/Q2GX4B6M
More data for this
Ligand-Target Pair