BDBM260248 US9522914, B-01

SMILES: CC(C)NC(=O)Cn1nc(nc1-c1cccc(Cl)c1)-c1ccc(CCN2C3CCC2COC3)cc1

InChI Key: InChIKey=KUSJOPLIFMTOHS-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 = 260248   

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))	BDBM260248 (US9522914, B-01) Show SMILES CC(C)NC(=O)Cn1nc(nc1-c1cccc(Cl)c1)-c1ccc(CCN2C3CCC2COC3)cc1 Show InChI InChI=1S/C27H32ClN5O2/c1-18(2)29-25(34)15-33-27(21-4-3-5-22(28)14-21)30-26(31-33)20-8-6-19(7-9-20)12-13-32-23-10-11-24(32)17-35-16-23/h3-9,14,18,23-24H,10-13,15-17H2,1-2H3,(H,29,34)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.40	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))	BDBM260248 (US9522914, B-01) Show SMILES CC(C)NC(=O)Cn1nc(nc1-c1cccc(Cl)c1)-c1ccc(CCN2C3CCC2COC3)cc1 Show InChI InChI=1S/C27H32ClN5O2/c1-18(2)29-25(34)15-33-27(21-4-3-5-22(28)14-21)30-26(31-33)20-8-6-19(7-9-20)12-13-32-23-10-11-24(32)17-35-16-23/h3-9,14,18,23-24H,10-13,15-17H2,1-2H3,(H,29,34)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.40	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