BDBM50001403 3-ethyl-7,7-dimethyl-1-spiro[1H-indene-1,4'-(hexahydropyridine)]-1-ylsulfonylmethylbicyclo[2.2.1]heptan-2-one::CHEMBL269624

SMILES: CC1(C)C2CC[C@@](CS(=O)(=O)N3CCC4(CC3)C=Cc3ccccc43)(C1=O)C2(C)C

InChI Key: InChIKey=FSELYIOJGDOMIG-GBAXHLBXSA-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 = 50001403   

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)	BDBM50001403 (3-ethyl-7,7-dimethyl-1-spiro[1H-indene-1,4'-(hexah...) Show SMILES CC1(C)C2CC[C@@](CS(=O)(=O)N3CCC4(CC3)C=Cc3ccccc43)(C1=O)C2(C)C |c:18| Show InChI InChI=1S/C25H33NO3S/c1-22(2)20-10-12-25(21(22)27,23(20,3)4)17-30(28,29)26-15-13-24(14-16-26)11-9-18-7-5-6-8-19(18)24/h5-9,11,20H,10,12-17H2,1-4H3/t20?,25-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.40E+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]-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))	BDBM50001403 (3-ethyl-7,7-dimethyl-1-spiro[1H-indene-1,4'-(hexah...) Show SMILES CC1(C)C2CC[C@@](CS(=O)(=O)N3CCC4(CC3)C=Cc3ccccc43)(C1=O)C2(C)C |c:18| Show InChI InChI=1S/C25H33NO3S/c1-22(2)20-10-12-25(21(22)27,23(20,3)4)17-30(28,29)26-15-13-24(14-16-26)11-9-18-7-5-6-8-19(18)24/h5-9,11,20H,10,12-17H2,1-4H3/t20?,25-/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))	BDBM50001403 (3-ethyl-7,7-dimethyl-1-spiro[1H-indene-1,4'-(hexah...) Show SMILES CC1(C)C2CC[C@@](CS(=O)(=O)N3CCC4(CC3)C=Cc3ccccc43)(C1=O)C2(C)C |c:18| Show InChI InChI=1S/C25H33NO3S/c1-22(2)20-10-12-25(21(22)27,23(20,3)4)17-30(28,29)26-15-13-24(14-16-26)11-9-18-7-5-6-8-19(18)24/h5-9,11,20H,10,12-17H2,1-4H3/t20?,25-/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