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BDBM50001371 3,3-dimethyl-1-spiro[2,3-dihydro-1H-indene-1,4'-(hexahydropyridine)]-1-ylsulfonylmethylbicyclo[2.2.1]heptan-2-one::CHEMBL126029

SMILES: CC1(C)C2CC[C@](CS(=O)(=O)N3CCC4(CCc5ccccc45)CC3)(C2)C1=O

InChI Key: InChIKey=WZQWIOILPGGQPR-WBPHRXDCSA-N

Data: 3 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 3 hits for monomerid = 50001371   
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
Oxytocin receptor


(RAT)
BDBM50001371
PNG
(3,3-dimethyl-1-spiro[2,3-dihydro-1H-indene-1,4'-(h...)
Show SMILES CC1(C)C2CC[C@](CS(=O)(=O)N3CCC4(CCc5ccccc45)CC3)(C2)C1=O
Show InChI InChI=1S/C23H31NO3S/c1-21(2)18-8-10-23(15-18,20(21)25)16-28(26,27)24-13-11-22(12-14-24)9-7-17-5-3-4-6-19(17)22/h3-6,18H,7-16H2,1-2H3/t18?,23-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Half-maximal inhibition of binding of [3H]-Oxytocin to OT receptor in rat uterine tissue


J Med Chem 35: 3919-27 (1992)


Article DOI: 10.1021/jm00099a020
BindingDB Entry DOI: 10.7270/Q2N015G7
More data for this
Ligand-Target Pair
Vasopressin receptor


(RAT-Rattus norvegicus (Rat))
BDBM50001371
PNG
(3,3-dimethyl-1-spiro[2,3-dihydro-1H-indene-1,4'-(h...)
Show SMILES CC1(C)C2CC[C@](CS(=O)(=O)N3CCC4(CCc5ccccc45)CC3)(C2)C1=O
Show InChI InChI=1S/C23H31NO3S/c1-21(2)18-8-10-23(15-18,20(21)25)16-28(26,27)24-13-11-22(12-14-24)9-7-17-5-3-4-6-19(17)22/h3-6,18H,7-16H2,1-2H3/t18?,23-/m1/s1
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Half-maximal inhibition of binding of [3H]vasopressin to vasopressin receptor 1 in rat liver


J Med Chem 35: 3919-27 (1992)


Article DOI: 10.1021/jm00099a020
BindingDB Entry DOI: 10.7270/Q2N015G7
More data for this
Ligand-Target Pair
Vasopressin receptor


(RAT-Rattus norvegicus (Rat))
BDBM50001371
PNG
(3,3-dimethyl-1-spiro[2,3-dihydro-1H-indene-1,4'-(h...)
Show SMILES CC1(C)C2CC[C@](CS(=O)(=O)N3CCC4(CCc5ccccc45)CC3)(C2)C1=O
Show InChI InChI=1S/C23H31NO3S/c1-21(2)18-8-10-23(15-18,20(21)25)16-28(26,27)24-13-11-22(12-14-24)9-7-17-5-3-4-6-19(17)22/h3-6,18H,7-16H2,1-2H3/t18?,23-/m1/s1
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Half-maximal inhibition of binding of [3H]- vasopressin to the vasopressin receptor 2 in rat kidney


J Med Chem 35: 3919-27 (1992)


Article DOI: 10.1021/jm00099a020
BindingDB Entry DOI: 10.7270/Q2N015G7
More data for this
Ligand-Target Pair