BDBM50001343 1-[5,6-difluorospiro[1H-indene-1,4'-(hexahydropyridine)]-1-ylsulfonylmethyl]-7,7-dimethyl-(1S,2R,4R)-bicyclo[2.2.1]heptan-2-ol::CHEMBL339302
SMILES: CC1(C)C2CC[C@@]1(CS(=O)(=O)N1CCC3(CC1)C=Cc1ccc(F)cc31)[C@H](O)C2
InChI Key: InChIKey=NFAGEMWHQMZYBN-BININLDBSA-N
Data: 3 IC50
Target/Host (Institution) | Ligand | Target/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 | pH | Temp °C |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Oxytocin receptor (RAT) | BDBM50001343 (1-[5,6-difluorospiro[1H-indene-1,4'-(hexahydropyri...) | PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 560 | n/a | n/a | n/a | n/a | n/a | n/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) BindingDB Entry DOI: 10.7270/Q2N015G7 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Vasopressin receptor (RAT-Rattus norvegicus (Rat)) | BDBM50001343 (1-[5,6-difluorospiro[1H-indene-1,4'-(hexahydropyri...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/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) BindingDB Entry DOI: 10.7270/Q2N015G7 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Vasopressin receptor (RAT-Rattus norvegicus (Rat)) | BDBM50001343 (1-[5,6-difluorospiro[1H-indene-1,4'-(hexahydropyri...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 8.20E+3 | n/a | n/a | n/a | n/a | n/a | n/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) BindingDB Entry DOI: 10.7270/Q2N015G7 | |||||||||||
More data for this Ligand-Target Pair |