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BDBM50043201 2-hydroxy-7,7-dimethyl-2-(2-phenylcarboxamidoethyl)-1-spiro[1H-indene-1,4'-(hexahydropyridine)]-1-ylsulfonylmethyl-(1S,2S,4R)-bicyclo[2.2.1]heptane::CHEMBL276906

SMILES: CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CC1)C=Cc1ccccc31)[C@@](O)(CCNC(=O)c1ccccc1)C2

InChI Key: InChIKey=QFWZTWHBJJQSER-WHODAWOQSA-N

Data: 3 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50043201   
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


(Rattus norvegicus (Rat))
BDBM50043201
PNG
(2-hydroxy-7,7-dimethyl-2-(2-phenylcarboxamidoethyl...)
Show SMILES CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CC1)C=Cc1ccccc31)[C@@](O)(CCNC(=O)c1ccccc1)C2
Show InChI InChI=1S/C32H40N2O4S/c1-29(2)26-13-15-31(29,32(36,22-26)16-19-33-28(35)25-9-4-3-5-10-25)23-39(37,38)34-20-17-30(18-21-34)14-12-24-8-6-7-11-27(24)30/h3-12,14,26,36H,13,15-23H2,1-2H3,(H,33,35)/t26-,31+,32-/m1/s1
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PC sid
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Article
PubMed
n/an/a 2.30E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of radioligand [3H]-AVP binding to the vasopressin V2 receptor in rat kidney tissue


J Med Chem 36: 3993-4005 (1994)


Article DOI: 10.1021/jm00077a002
BindingDB Entry DOI: 10.7270/Q27M070W
More data for this
Ligand-Target Pair
Vasopressin V1 receptor


(RAT)
BDBM50043201
PNG
(2-hydroxy-7,7-dimethyl-2-(2-phenylcarboxamidoethyl...)
Show SMILES CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CC1)C=Cc1ccccc31)[C@@](O)(CCNC(=O)c1ccccc1)C2
Show InChI InChI=1S/C32H40N2O4S/c1-29(2)26-13-15-31(29,32(36,22-26)16-19-33-28(35)25-9-4-3-5-10-25)23-39(37,38)34-20-17-30(18-21-34)14-12-24-8-6-7-11-27(24)30/h3-12,14,26,36H,13,15-23H2,1-2H3,(H,33,35)/t26-,31+,32-/m1/s1
MMDB

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.60E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of radioligand [3H]AVP binding to the vasopressin V1 receptor in rat liver tissue


J Med Chem 36: 3993-4005 (1994)


Article DOI: 10.1021/jm00077a002
BindingDB Entry DOI: 10.7270/Q27M070W
More data for this
Ligand-Target Pair
Oxytocin receptor


(RAT)
BDBM50043201
PNG
(2-hydroxy-7,7-dimethyl-2-(2-phenylcarboxamidoethyl...)
Show SMILES CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CC1)C=Cc1ccccc31)[C@@](O)(CCNC(=O)c1ccccc1)C2
Show InChI InChI=1S/C32H40N2O4S/c1-29(2)26-13-15-31(29,32(36,22-26)16-19-33-28(35)25-9-4-3-5-10-25)23-39(37,38)34-20-17-30(18-21-34)14-12-24-8-6-7-11-27(24)30/h3-12,14,26,36H,13,15-23H2,1-2H3,(H,33,35)/t26-,31+,32-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 220n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of radioligand [3H]-oxytocin binding at the oxytocin (OT) receptor in rat uterine tissue


J Med Chem 36: 3993-4005 (1994)


Article DOI: 10.1021/jm00077a002
BindingDB Entry DOI: 10.7270/Q27M070W
More data for this
Ligand-Target Pair