BindingDB logo
myBDB logout

BDBM190362 US9180120, 66

SMILES: COCCn1c(nn(CC(=O)NCC(NC(=O)OC(C)(C)C)c2ccccc2C(F)(F)F)c1=O)-c1ccc(Cl)s1

InChI Key: InChIKey=AAPSBWWMCXOCQQ-UHFFFAOYSA-N

Data: 2 IC50

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 2 hits for monomerid = 190362   
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 V2 receptor


(Homo sapiens (Human))
BDBM190362
PNG
(US9180120, 66)
Show SMILES COCCn1c(nn(CC(=O)NCC(NC(=O)OC(C)(C)C)c2ccccc2C(F)(F)F)c1=O)-c1ccc(Cl)s1
Show InChI InChI=1S/C25H29ClF3N5O5S/c1-24(2,3)39-22(36)31-17(15-7-5-6-8-16(15)25(27,28)29)13-30-20(35)14-34-23(37)33(11-12-38-4)21(32-34)18-9-10-19(26)40-18/h5-10,17H,11-14H2,1-4H3,(H,30,35)(H,31,36)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.20E+3n/an/an/an/an/an/a



Bayer Intellectual Property GmbH

US Patent


Assay Description
On the day before the assay, the cells are plated out in culture medium (DMEM, 10% FCS, 2 mM glutamine, 10 mM HEPES) in 384-well microtitre plates an...


US Patent US9180120 (2015)


BindingDB Entry DOI: 10.7270/Q2KK99KH
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM190362
PNG
(US9180120, 66)
Show SMILES COCCn1c(nn(CC(=O)NCC(NC(=O)OC(C)(C)C)c2ccccc2C(F)(F)F)c1=O)-c1ccc(Cl)s1
Show InChI InChI=1S/C25H29ClF3N5O5S/c1-24(2,3)39-22(36)31-17(15-7-5-6-8-16(15)25(27,28)29)13-30-20(35)14-34-23(37)33(11-12-38-4)21(32-34)18-9-10-19(26)40-18/h5-10,17H,11-14H2,1-4H3,(H,30,35)(H,31,36)
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 51n/an/an/an/an/an/a



Bayer Intellectual Property GmbH

US Patent


Assay Description
On the day before the assay, the cells are plated out in culture medium (DMEM, 10% FCS, 2 mM glutamine, 10 mM HEPES) in 384-well microtitre plates an...


US Patent US9180120 (2015)


BindingDB Entry DOI: 10.7270/Q2KK99KH
More data for this
Ligand-Target Pair