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SMILES: CC(C)[C@@H]1NC(=O)[C@H](Cc2cccs2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCCSC[C@H](NC(=O)[C@H](CC(N)=O)NC1=O)C(=O)N1CSC[C@H]1C(=O)N[C@H](CCCNC(N)=N)C(=O)NCc1ccccc1

InChI Key: InChIKey=OGDRTDKEKJZYOC-VKDVJWJTSA-N

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 301706   
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))
BDBM301706
PNG
(US10131692, Compound 38)
Show SMILES CC(C)[C@@H]1NC(=O)[C@H](Cc2cccs2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCCSC[C@H](NC(=O)[C@H](CC(N)=O)NC1=O)C(=O)N1CSC[C@H]1C(=O)N[C@H](CCCNC(N)=N)C(=O)NCc1ccccc1 |r|
Show InChI InChI=1S/C49H66N12O10S3/c1-28(2)41-47(70)58-36(23-39(50)63)44(67)59-37(48(71)61-27-73-26-38(61)46(69)56-33(12-6-18-53-49(51)52)42(65)54-24-30-9-4-3-5-10-30)25-72-19-8-13-40(64)55-34(21-29-14-16-31(62)17-15-29)43(66)57-35(45(68)60-41)22-32-11-7-20-74-32/h3-5,7,9-11,14-17,20,28,33-38,41,62H,6,8,12-13,18-19,21-27H2,1-2H3,(H2,50,63)(H,54,65)(H,55,64)(H,56,69)(H,57,66)(H,58,70)(H,59,67)(H,60,68)(H4,51,52,53)/t33-,34+,35+,36+,37+,38+,41+/m1/s1
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 1.50E+5n/an/an/an/a



Ferring B.V.

US Patent


Assay Description
To determine selectivity, compounds were tested in luciferase-based transcriptional reporter gene assays expressing the human V1b receptor (hV1bR). A...


US Patent US10131692 (2018)


BindingDB Entry DOI: 10.7270/Q2WQ05TR
More data for this
Ligand-Target Pair
Vasopressin V2 receptor


(Homo sapiens (Human))
BDBM301706
PNG
(US10131692, Compound 38)
Show SMILES CC(C)[C@@H]1NC(=O)[C@H](Cc2cccs2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCCSC[C@H](NC(=O)[C@H](CC(N)=O)NC1=O)C(=O)N1CSC[C@H]1C(=O)N[C@H](CCCNC(N)=N)C(=O)NCc1ccccc1 |r|
Show InChI InChI=1S/C49H66N12O10S3/c1-28(2)41-47(70)58-36(23-39(50)63)44(67)59-37(48(71)61-27-73-26-38(61)46(69)56-33(12-6-18-53-49(51)52)42(65)54-24-30-9-4-3-5-10-30)25-72-19-8-13-40(64)55-34(21-29-14-16-31(62)17-15-29)43(66)57-35(45(68)60-41)22-32-11-7-20-74-32/h3-5,7,9-11,14-17,20,28,33-38,41,62H,6,8,12-13,18-19,21-27H2,1-2H3,(H2,50,63)(H,54,65)(H,55,64)(H,56,69)(H,57,66)(H,58,70)(H,59,67)(H,60,68)(H4,51,52,53)/t33-,34+,35+,36+,37+,38+,41+/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 260n/an/an/an/a



Ferring B.V.

US Patent


Assay Description
Agonist activity of compounds on the human V2 receptor (h V2R) was determined in a transcriptional reporter gene assay by transiently transfecting an...


US Patent US10131692 (2018)


BindingDB Entry DOI: 10.7270/Q2WQ05TR
More data for this
Ligand-Target Pair