BDBM50001413 7,7-dimethyl-1-spiro[1H-indene-1,4'-(hexahydropyridine)]-1-ylsulfonylmethylbicyclo[2.2.1]heptan-2-ol::CHEMBL338336

SMILES: CC1(C)C2CC[C@]1(CS(=O)(=O)N1CCC3(CC1)C=Cc1ccccc31)[C@H](O)C2

InChI Key: InChIKey=WHOYCZAZHQFDDJ-GXFFEGLMSA-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 = 50001413   

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)	BDBM50001413 (7,7-dimethyl-1-spiro[1H-indene-1,4'-(hexahydropyri...) Show SMILES CC1(C)C2CC[C@]1(CS(=O)(=O)N1CCC3(CC1)C=Cc1ccccc31)[C@H](O)C2 |c:19| Show InChI InChI=1S/C23H31NO3S/c1-21(2)18-8-10-23(21,20(25)15-18)16-28(26,27)24-13-11-22(12-14-24)9-7-17-5-3-4-6-19(17)22/h3-7,9,18,20,25H,8,10-16H2,1-2H3/t18?,20-,23+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.50E+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]-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))	BDBM50001413 (7,7-dimethyl-1-spiro[1H-indene-1,4'-(hexahydropyri...) Show SMILES CC1(C)C2CC[C@]1(CS(=O)(=O)N1CCC3(CC1)C=Cc1ccccc31)[C@H](O)C2 |c:19| Show InChI InChI=1S/C23H31NO3S/c1-21(2)18-8-10-23(21,20(25)15-18)16-28(26,27)24-13-11-22(12-14-24)9-7-17-5-3-4-6-19(17)22/h3-7,9,18,20,25H,8,10-16H2,1-2H3/t18?,20-,23+/m1/s1	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 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
Vasopressin receptor (RAT-Rattus norvegicus (Rat))	BDBM50001413 (7,7-dimethyl-1-spiro[1H-indene-1,4'-(hexahydropyri...) Show SMILES CC1(C)C2CC[C@]1(CS(=O)(=O)N1CCC3(CC1)C=Cc1ccccc31)[C@H](O)C2 |c:19| Show InChI InChI=1S/C23H31NO3S/c1-21(2)18-8-10-23(21,20(25)15-18)16-28(26,27)24-13-11-22(12-14-24)9-7-17-5-3-4-6-19(17)22/h3-7,9,18,20,25H,8,10-16H2,1-2H3/t18?,20-,23+/m1/s1	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