BDBM50001409 2-ethyl-7,7-dimethyl-1-spiro[1H-indene-1,4'-(hexahydropyridine)]-1-ylsulfonylmethylbicyclo[2.2.1]heptan-2-ol::CHEMBL338235

SMILES: CC[C@@]1(O)CC2CC[C@]1(CS(=O)(=O)N1CCC3(CC1)C=Cc1ccccc31)C2(C)C

InChI Key: InChIKey=GLPCNINCUZWELB-DUXSLQFZSA-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 = 50001409   

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)	BDBM50001409 (2-ethyl-7,7-dimethyl-1-spiro[1H-indene-1,4'-(hexah...) Show SMILES CC[C@@]1(O)CC2CC[C@]1(CS(=O)(=O)N1CCC3(CC1)C=Cc1ccccc31)C2(C)C |c:21| Show InChI InChI=1S/C25H35NO3S/c1-4-25(27)17-20-10-12-24(25,22(20,2)3)18-30(28,29)26-15-13-23(14-16-26)11-9-19-7-5-6-8-21(19)23/h5-9,11,20,27H,4,10,12-18H2,1-3H3/t20?,24-,25+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	630	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))	BDBM50001409 (2-ethyl-7,7-dimethyl-1-spiro[1H-indene-1,4'-(hexah...) Show SMILES CC[C@@]1(O)CC2CC[C@]1(CS(=O)(=O)N1CCC3(CC1)C=Cc1ccccc31)C2(C)C |c:21| Show InChI InChI=1S/C25H35NO3S/c1-4-25(27)17-20-10-12-24(25,22(20,2)3)18-30(28,29)26-15-13-23(14-16-26)11-9-19-7-5-6-8-21(19)23/h5-9,11,20,27H,4,10,12-18H2,1-3H3/t20?,24-,25+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.40E+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
Vasopressin receptor (RAT-Rattus norvegicus (Rat))	BDBM50001409 (2-ethyl-7,7-dimethyl-1-spiro[1H-indene-1,4'-(hexah...) Show SMILES CC[C@@]1(O)CC2CC[C@]1(CS(=O)(=O)N1CCC3(CC1)C=Cc1ccccc31)C2(C)C |c:21| Show InChI InChI=1S/C25H35NO3S/c1-4-25(27)17-20-10-12-24(25,22(20,2)3)18-30(28,29)26-15-13-23(14-16-26)11-9-19-7-5-6-8-21(19)23/h5-9,11,20,27H,4,10,12-18H2,1-3H3/t20?,24-,25+/m0/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