BDBM50345079 (1-(4-methoxy-2,3-dimethylphenylsulfonyl)-2-methyl-1H-indol-3-yl)(4-methyl-1,4-diazepan-1-yl)methanone::CHEMBL1779231

SMILES: COc1ccc(c(C)c1C)S(=O)(=O)n1c(C)c(C(=O)N2CCCN(C)CC2)c2ccccc12

InChI Key: InChIKey=JOJSTNFYLOFXMJ-UHFFFAOYSA-N

Data: 1 KI

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 1 hit for monomerid = 50345079   

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
Vasopressin V1b receptor (Homo sapiens (Human))	BDBM50345079 ((1-(4-methoxy-2,3-dimethylphenylsulfonyl)-2-methyl...) Show SMILES COc1ccc(c(C)c1C)S(=O)(=O)n1c(C)c(C(=O)N2CCCN(C)CC2)c2ccccc12 Show InChI InChI=1S/C25H31N3O4S/c1-17-18(2)23(12-11-22(17)32-5)33(30,31)28-19(3)24(20-9-6-7-10-21(20)28)25(29)27-14-8-13-26(4)15-16-27/h6-7,9-12H,8,13-16H2,1-5H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
MSD Curated by ChEMBL					Assay Description Displacement of [3H]-AVP from human vasopressin V1B receptor expressed in CHO cells				Bioorg Med Chem Lett 21: 3603-7 (2011) Article DOI: 10.1016/j.bmcl.2011.04.104 BindingDB Entry DOI: 10.7270/Q2833SCQ
					More data for this Ligand-Target Pair