BDBM260242 US9522914, A-44

SMILES: CC(C)NC(=O)Cn1cc(nc1-c1cccc(Cl)c1)-c1ccc(CC(C)N2CCOCC2)cc1

InChI Key: InChIKey=VQWUZPDEIJOQOY-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 260242   

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))	BDBM260242 (US9522914, A-44) Show SMILES CC(C)NC(=O)Cn1cc(nc1-c1cccc(Cl)c1)-c1ccc(CC(C)N2CCOCC2)cc1 Show InChI InChI=1S/C27H33ClN4O2/c1-19(2)29-26(33)18-32-17-25(30-27(32)23-5-4-6-24(28)16-23)22-9-7-21(8-10-22)15-20(3)31-11-13-34-14-12-31/h4-10,16-17,19-20H,11-15,18H2,1-3H3,(H,29,33)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.160	n/a	n/a	n/a	n/a	7.4	25
TAISHO PHARMACEUTICAL CO., LTD US Patent					Assay Description Human V1b receptor was transiently expressed in 293FT cells (Invitrogen). The cells were collected and then homogenated in a 15 mmol/L tris-hydrochlo...				US Patent US9522914 (2016) BindingDB Entry DOI: 10.7270/Q2KS6PR7
					More data for this Ligand-Target Pair
Vasopressin V1b receptor (Homo sapiens (Human))	BDBM260242 (US9522914, A-44) Show SMILES CC(C)NC(=O)Cn1cc(nc1-c1cccc(Cl)c1)-c1ccc(CC(C)N2CCOCC2)cc1 Show InChI InChI=1S/C27H33ClN4O2/c1-19(2)29-26(33)18-32-17-25(30-27(32)23-5-4-6-24(28)16-23)22-9-7-21(8-10-22)15-20(3)31-11-13-34-14-12-31/h4-10,16-17,19-20H,11-15,18H2,1-3H3,(H,29,33)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.160	n/a	n/a	n/a	n/a	7.4	4
TAISHO PHARMACEUTICAL CO., LTD US Patent					Assay Description Human V1b receptor was transiently expressed in 293FT cells (Invitrogen). The cells were collected and then homogenated in a 15 mmol/L tris-hydrochlo...				US Patent US9522914 (2016) BindingDB Entry DOI: 10.7270/Q2WM1CB9
					More data for this Ligand-Target Pair