BDBM260219 US9522914, A-21

SMILES: COc1cc(ccc1F)-c1nc(cn1CC(=O)NC(C)C)-c1ccc(CCN2CCC(C)C2)cc1

InChI Key: InChIKey=PHOVWIZOIXRUQI-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 = 260219   

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))	BDBM260219 (US9522914, A-21) Show SMILES COc1cc(ccc1F)-c1nc(cn1CC(=O)NC(C)C)-c1ccc(CCN2CCC(C)C2)cc1 Show InChI InChI=1S/C28H35FN4O2/c1-19(2)30-27(34)18-33-17-25(31-28(33)23-9-10-24(29)26(15-23)35-4)22-7-5-21(6-8-22)12-14-32-13-11-20(3)16-32/h5-10,15,17,19-20H,11-14,16,18H2,1-4H3,(H,30,34)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.20	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))	BDBM260219 (US9522914, A-21) Show SMILES COc1cc(ccc1F)-c1nc(cn1CC(=O)NC(C)C)-c1ccc(CCN2CCC(C)C2)cc1 Show InChI InChI=1S/C28H35FN4O2/c1-19(2)30-27(34)18-33-17-25(31-28(33)23-9-10-24(29)26(15-23)35-4)22-7-5-21(6-8-22)12-14-32-13-11-20(3)16-32/h5-10,15,17,19-20H,11-14,16,18H2,1-4H3,(H,30,34)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.20	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