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SMILES: O[C@@H](Cn1c(nn(Cc2nnc(s2)-c2ccccc2C(F)(F)F)c1=O)-c1ccc(Cl)cc1)C(F)(F)F

InChI Key: InChIKey=GRJNKBDCMVJZIA-HNNXBMFYSA-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 4 hits for monomerid = 192447   
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))
BDBM192447
PNG
(US9187466, 20 | US9687476, 20)
Show SMILES O[C@@H](Cn1c(nn(Cc2nnc(s2)-c2ccccc2C(F)(F)F)c1=O)-c1ccc(Cl)cc1)C(F)(F)F |r|
Show InChI InChI=1S/C21H14ClF6N5O2S/c22-12-7-5-11(6-8-12)17-31-33(19(35)32(17)9-15(34)21(26,27)28)10-16-29-30-18(36-16)13-3-1-2-4-14(13)20(23,24)25/h1-8,15,34H,9-10H2/t15-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 46n/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 microtiter plates an...


US Patent US9187466 (2015)


BindingDB Entry DOI: 10.7270/Q2WQ02MT
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))
BDBM192447
PNG
(US9187466, 20 | US9687476, 20)
Show SMILES O[C@@H](Cn1c(nn(Cc2nnc(s2)-c2ccccc2C(F)(F)F)c1=O)-c1ccc(Cl)cc1)C(F)(F)F |r|
Show InChI InChI=1S/C21H14ClF6N5O2S/c22-12-7-5-11(6-8-12)17-31-33(19(35)32(17)9-15(34)21(26,27)28)10-16-29-30-18(36-16)13-3-1-2-4-14(13)20(23,24)25/h1-8,15,34H,9-10H2/t15-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 150n/an/an/an/an/a37



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 microtiter plates an...


US Patent US9687476 (2017)


BindingDB Entry DOI: 10.7270/Q2ZG6QDG
More data for this
Ligand-Target Pair
Vasopressin V1a receptor


(Homo sapiens (Human))
BDBM192447
PNG
(US9187466, 20 | US9687476, 20)
Show SMILES O[C@@H](Cn1c(nn(Cc2nnc(s2)-c2ccccc2C(F)(F)F)c1=O)-c1ccc(Cl)cc1)C(F)(F)F |r|
Show InChI InChI=1S/C21H14ClF6N5O2S/c22-12-7-5-11(6-8-12)17-31-33(19(35)32(17)9-15(34)21(26,27)28)10-16-29-30-18(36-16)13-3-1-2-4-14(13)20(23,24)25/h1-8,15,34H,9-10H2/t15-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 46n/an/an/an/an/a37



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 microtiter plates an...


US Patent US9687476 (2017)


BindingDB Entry DOI: 10.7270/Q2ZG6QDG
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))
BDBM192447
PNG
(US9187466, 20 | US9687476, 20)
Show SMILES O[C@@H](Cn1c(nn(Cc2nnc(s2)-c2ccccc2C(F)(F)F)c1=O)-c1ccc(Cl)cc1)C(F)(F)F |r|
Show InChI InChI=1S/C21H14ClF6N5O2S/c22-12-7-5-11(6-8-12)17-31-33(19(35)32(17)9-15(34)21(26,27)28)10-16-29-30-18(36-16)13-3-1-2-4-14(13)20(23,24)25/h1-8,15,34H,9-10H2/t15-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 150n/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 microtiter plates an...


US Patent US9187466 (2015)


BindingDB Entry DOI: 10.7270/Q2WQ02MT
More data for this
Ligand-Target Pair