BindingDB logo
myBDB logout

null

SMILES: CCOc1ccc(OC)cc1C1(C2C=C(C=CC2N(C1=O)S(=O)(=O)c1ccc(OC)cn1)C#N)N1CC2(CN(C2)C2CCNC(C)C2)C1

InChI Key: InChIKey=UNISZZMOHZOMAA-UHFFFAOYSA-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 = 175064   
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 V1b receptor


(Homo sapiens (Human))		BDBM175064
PNG
(US9688678, 25 (+)-3-(2-ethoxy-5-methoxy-phenyl)-1-...)
Show SMILES CCOc1ccc(OC)cc1C1(C2C=C(C=CC2N(C1=O)S(=O)(=O)c1ccc(OC)cn1)C#N)N1CC2(CN(C2)C2CCNC(C)C2)C1 |c:14,16|
Show InChI InChI=1S/C35H42N6O6S/c1-5-47-31-10-7-26(45-3)16-29(31)35(40-21-34(22-40)19-39(20-34)25-12-13-37-23(2)14-25)28-15-24(17-36)6-9-30(28)41(33(35)42)48(43,44)32-11-8-27(46-4)18-38-32/h6-11,15-16,18,23,25,28,30,37H,5,12-14,19-22H2,1-4H3
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
<1<-12.3n/an/an/an/an/a7.425



AbbVie Deutschland GmbH & Co. KG

US Patent


Assay Description
The binding assay was carried out by the method based on that of Tahara et al. (Tahara A et al., Brit. J. Pharmacol. 125, 1463-1470 (1998)). The incu...

US Patent US9688678 (2017)


BindingDB Entry DOI: 10.7270/Q2SN0740
More data for this
Ligand-Target Pair