BindingDB logo
myBDB logout

null

SMILES: CC(=O)N1CCC(C)(C2C=C(NC(=O)OC3CCCC3)C=CC12)c1ccccc1

InChI Key: InChIKey=BYYWYRYHYCVCLI-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 3 hits for monomerid = 60862   
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
Thyrotropin receptor


(Homo sapiens (Human))
BDBM60862
PNG
(BDBM189328 | US9174940, 32)
Show SMILES CC(=O)N1CCC(C)(C2C=C(NC(=O)OC3CCCC3)C=CC12)c1ccccc1 |c:21,t:9|
Show InChI InChI=1S/C24H30N2O3/c1-17(27)26-15-14-24(2,18-8-4-3-5-9-18)21-16-19(12-13-22(21)26)25-23(28)29-20-10-6-7-11-20/h3-5,8-9,12-13,16,20-22H,6-7,10-11,14-15H2,1-2H3,(H,25,28)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<100n/an/an/an/an/an/a



Merck Sharp & Dohme B.V.

US Patent


Assay Description
Antagonist activity of three test compounds against human TSI at the human TSH receptor was tested in Chinese Hamster Ovary (CHO) cells (cultured 16 ...


US Patent US9174940 (2015)


BindingDB Entry DOI: 10.7270/Q2F18XJC
More data for this
Ligand-Target Pair
Thyrotropin receptor


(Homo sapiens (Human))
BDBM60862
PNG
(BDBM189328 | US9174940, 32)
Show SMILES CC(=O)N1CCC(C)(C2C=C(NC(=O)OC3CCCC3)C=CC12)c1ccccc1 |c:21,t:9|
Show InChI InChI=1S/C24H30N2O3/c1-17(27)26-15-14-24(2,18-8-4-3-5-9-18)21-16-19(12-13-22(21)26)25-23(28)29-20-10-6-7-11-20/h3-5,8-9,12-13,16,20-22H,6-7,10-11,14-15H2,1-2H3,(H,25,28)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 12n/an/an/an/an/an/a



Merck Sharp & Dohme B.V.

US Patent


Assay Description
Antagonist activity of three test compounds against human TSI at the human TSH receptor was tested in Chinese Hamster Ovary (CHO) cells (cultured 16 ...


US Patent US9174940 (2015)


BindingDB Entry DOI: 10.7270/Q2F18XJC
More data for this
Ligand-Target Pair
Thyrotropin subunit beta


(Bos taurus (Bovine))
BDBM60862
PNG
(BDBM189328 | US9174940, 32)
Show SMILES CC(=O)N1CCC(C)(C2C=C(NC(=O)OC3CCCC3)C=CC12)c1ccccc1 |c:21,t:9|
Show InChI InChI=1S/C24H30N2O3/c1-17(27)26-15-14-24(2,18-8-4-3-5-9-18)21-16-19(12-13-22(21)26)25-23(28)29-20-10-6-7-11-20/h3-5,8-9,12-13,16,20-22H,6-7,10-11,14-15H2,1-2H3,(H,25,28)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 48n/an/an/an/an/an/a



Merck Sharp & Dohme B.V.

US Patent


Assay Description
Antagonist activity of three test compounds against human TSI at the human TSH receptor was tested in Chinese Hamster Ovary (CHO) cells (cultured 16 ...


US Patent US9174940 (2015)


BindingDB Entry DOI: 10.7270/Q2F18XJC
More data for this
Ligand-Target Pair