BDBM50077219 CHEMBL3416884

SMILES: CN1CCC(CC1)n1cc(C(=O)N2CCC3(CC2)OCc2ccccc32)c2ccc(Cl)cc12

InChI Key: InChIKey=XGRPTTMNFURMQP-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50077219   

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 V1a receptor (Homo sapiens (Human))	BDBM50077219 (CHEMBL3416884) Show SMILES CN1CCC(CC1)n1cc(C(=O)N2CCC3(CC2)OCc2ccccc32)c2ccc(Cl)cc12 Show InChI InChI=1S/C27H30ClN3O2/c1-29-12-8-21(9-13-29)31-17-23(22-7-6-20(28)16-25(22)31)26(32)30-14-10-27(11-15-30)24-5-3-2-4-19(24)18-33-27/h2-7,16-17,21H,8-15,18H2,1H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]-vasopressin from human vasopressin 1a receptor expressed in HEK293 cell membranes after 1 hr by scintillation proximity assay				J Med Chem 58: 2275-89 (2015) Article DOI: 10.1021/jm501745f BindingDB Entry DOI: 10.7270/Q2JW8GK0
					More data for this Ligand-Target Pair
Vasopressin V1a receptor (Mus musculus)	BDBM50077219 (CHEMBL3416884) Show SMILES CN1CCC(CC1)n1cc(C(=O)N2CCC3(CC2)OCc2ccccc32)c2ccc(Cl)cc12 Show InChI InChI=1S/C27H30ClN3O2/c1-29-12-8-21(9-13-29)31-17-23(22-7-6-20(28)16-25(22)31)26(32)30-14-10-27(11-15-30)24-5-3-2-4-19(24)18-33-27/h2-7,16-17,21H,8-15,18H2,1H3	UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]-vasopressin from mouse vasopressin 1a receptor expressed in HEK293 cell membranes after 1 hr by scintillation proximity assay				J Med Chem 58: 2275-89 (2015) Article DOI: 10.1021/jm501745f BindingDB Entry DOI: 10.7270/Q2JW8GK0
					More data for this Ligand-Target Pair