BDBM50380761 CHEMBL2017980

SMILES: CS(=O)(=O)N1CCC(CC1)Oc1ccc(CC(=O)N2CCC(CC2)N2C(=O)CCc3ccccc23)c(O)c1

InChI Key: InChIKey=LIABWJWBDLOQQY-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50380761   

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
Oxytocin receptor (Homo sapiens (Human))	BDBM50380761 (CHEMBL2017980) Show SMILES CS(=O)(=O)N1CCC(CC1)Oc1ccc(CC(=O)N2CCC(CC2)N2C(=O)CCc3ccccc23)c(O)c1 Show InChI InChI=1S/C28H35N3O6S/c1-38(35,36)30-16-12-23(13-17-30)37-24-8-6-21(26(32)19-24)18-28(34)29-14-10-22(11-15-29)31-25-5-3-2-4-20(25)7-9-27(31)33/h2-6,8,19,22-23,32H,7,9-18H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	78	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description Displacement of [3H]oxytocin from human oxytocin receptor after 1.5 hrs by liquid scintillation counting				Bioorg Med Chem 20: 2721-38 (2012) Article DOI: 10.1016/j.bmc.2012.02.019 BindingDB Entry DOI: 10.7270/Q29K4C7G
					More data for this Ligand-Target Pair
Vasopressin V1b receptor (Homo sapiens (Human))	BDBM50380761 (CHEMBL2017980) Show SMILES CS(=O)(=O)N1CCC(CC1)Oc1ccc(CC(=O)N2CCC(CC2)N2C(=O)CCc3ccccc23)c(O)c1 Show InChI InChI=1S/C28H35N3O6S/c1-38(35,36)30-16-12-23(13-17-30)37-24-8-6-21(26(32)19-24)18-28(34)29-14-10-22(11-15-29)31-25-5-3-2-4-20(25)7-9-27(31)33/h2-6,8,19,22-23,32H,7,9-18H2,1H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description Displacement of [3H]-AVP from human V1b receptor after 1.5 hrs by liquid scintillation counting				Bioorg Med Chem 20: 2721-38 (2012) Article DOI: 10.1016/j.bmc.2012.02.019 BindingDB Entry DOI: 10.7270/Q29K4C7G
					More data for this Ligand-Target Pair
Vasopressin V2 receptor (Homo sapiens (Human))	BDBM50380761 (CHEMBL2017980) Show SMILES CS(=O)(=O)N1CCC(CC1)Oc1ccc(CC(=O)N2CCC(CC2)N2C(=O)CCc3ccccc23)c(O)c1 Show InChI InChI=1S/C28H35N3O6S/c1-38(35,36)30-16-12-23(13-17-30)37-24-8-6-21(26(32)19-24)18-28(34)29-14-10-22(11-15-29)31-25-5-3-2-4-20(25)7-9-27(31)33/h2-6,8,19,22-23,32H,7,9-18H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description Displacement of [3H]-AVP from human vasopressin V2 receptor after 1.5 hrs by liquid scintillation counting				Bioorg Med Chem 20: 2721-38 (2012) Article DOI: 10.1016/j.bmc.2012.02.019 BindingDB Entry DOI: 10.7270/Q29K4C7G
					More data for this Ligand-Target Pair
Vasopressin V1a receptor (Homo sapiens (Human))	BDBM50380761 (CHEMBL2017980) Show SMILES CS(=O)(=O)N1CCC(CC1)Oc1ccc(CC(=O)N2CCC(CC2)N2C(=O)CCc3ccccc23)c(O)c1 Show InChI InChI=1S/C28H35N3O6S/c1-38(35,36)30-16-12-23(13-17-30)37-24-8-6-21(26(32)19-24)18-28(34)29-14-10-22(11-15-29)31-25-5-3-2-4-20(25)7-9-27(31)33/h2-6,8,19,22-23,32H,7,9-18H2,1H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description Displacement of [3H]-AVP from human V1A receptor after 1.5 hrs by liquid scintillation counting				Bioorg Med Chem 20: 2721-38 (2012) Article DOI: 10.1016/j.bmc.2012.02.019 BindingDB Entry DOI: 10.7270/Q29K4C7G
					More data for this Ligand-Target Pair