BDBM50001370 1'-(2-bromophenylsulfonyl)spiro[1H-indene-1,4'-(hexahydropyridine)]::CHEMBL340581

SMILES: Brc1ccccc1S(=O)(=O)N1CCC2(CC1)C=Cc1ccccc21

InChI Key: InChIKey=HFROYAFEOGMZJD-UHFFFAOYSA-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 = 50001370   

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)	BDBM50001370 (1'-(2-bromophenylsulfonyl)spiro[1H-indene-1,4'-(he...) Show SMILES Brc1ccccc1S(=O)(=O)N1CCC2(CC1)C=Cc1ccccc21 |c:18| Show InChI InChI=1S/C19H18BrNO2S/c20-17-7-3-4-8-18(17)24(22,23)21-13-11-19(12-14-21)10-9-15-5-1-2-6-16(15)19/h1-10H,11-14H2	PDB Reactome pathway KEGG 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]-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))	BDBM50001370 (1'-(2-bromophenylsulfonyl)spiro[1H-indene-1,4'-(he...) Show SMILES Brc1ccccc1S(=O)(=O)N1CCC2(CC1)C=Cc1ccccc21 |c:18| Show InChI InChI=1S/C19H18BrNO2S/c20-17-7-3-4-8-18(17)24(22,23)21-13-11-19(12-14-21)10-9-15-5-1-2-6-16(15)19/h1-10H,11-14H2	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))	BDBM50001370 (1'-(2-bromophenylsulfonyl)spiro[1H-indene-1,4'-(he...) Show SMILES Brc1ccccc1S(=O)(=O)N1CCC2(CC1)C=Cc1ccccc21 |c:18| Show InChI InChI=1S/C19H18BrNO2S/c20-17-7-3-4-8-18(17)24(22,23)21-13-11-19(12-14-21)10-9-15-5-1-2-6-16(15)19/h1-10H,11-14H2	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