BDBM50029646 1-{1-[4-(1-Acetyl-piperidin-4-yloxy)-benzoyl]-piperidin-4-yl}-1,4-dihydro-benzo[d][1,3]oxazin-2-one::CHEMBL358793

SMILES: CC(=O)N1CCC(CC1)Oc1ccc(cc1)C(=O)N1CCC(CC1)N1C(=O)OCc2ccccc12

InChI Key: InChIKey=UQJLIMBRSSQCGI-UHFFFAOYSA-N

Data: 5 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 5 hits for monomerid = 50029646   

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
AVPR1A (RAT)	BDBM50029646 (1-{1-[4-(1-Acetyl-piperidin-4-yloxy)-benzoyl]-pipe...) Show SMILES CC(=O)N1CCC(CC1)Oc1ccc(cc1)C(=O)N1CCC(CC1)N1C(=O)OCc2ccccc12 Show InChI InChI=1S/C27H31N3O5/c1-19(31)28-16-12-24(13-17-28)35-23-8-6-20(7-9-23)26(32)29-14-10-22(11-15-29)30-25-5-3-2-4-21(25)18-34-27(30)33/h2-9,22,24H,10-18H2,1H3	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	5.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity was evaluated by measuring the displacement of [3H]-AVP (arginine vasopressin) from specific binding sites in rat liver				J Med Chem 38: 4634-6 (1995) BindingDB Entry DOI: 10.7270/Q2ZW1JXC
					More data for this Ligand-Target Pair
Oxytocin receptor (Homo sapiens (Human))	BDBM50029646 (1-{1-[4-(1-Acetyl-piperidin-4-yloxy)-benzoyl]-pipe...) Show SMILES CC(=O)N1CCC(CC1)Oc1ccc(cc1)C(=O)N1CCC(CC1)N1C(=O)OCc2ccccc12 Show InChI InChI=1S/C27H31N3O5/c1-19(31)28-16-12-24(13-17-28)35-23-8-6-20(7-9-23)26(32)29-14-10-22(11-15-29)30-25-5-3-2-4-21(25)18-34-27(30)33/h2-9,22,24H,10-18H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	24	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity was evaluated by measuring the displacement of [3H]-OT (oxytocin) from specific binding sites in uterine tissue obtained from human				J Med Chem 38: 4634-6 (1995) BindingDB Entry DOI: 10.7270/Q2ZW1JXC
					More data for this Ligand-Target Pair
Oxytocin receptor (RAT)	BDBM50029646 (1-{1-[4-(1-Acetyl-piperidin-4-yloxy)-benzoyl]-pipe...) Show SMILES CC(=O)N1CCC(CC1)Oc1ccc(cc1)C(=O)N1CCC(CC1)N1C(=O)OCc2ccccc12 Show InChI InChI=1S/C27H31N3O5/c1-19(31)28-16-12-24(13-17-28)35-23-8-6-20(7-9-23)26(32)29-14-10-22(11-15-29)30-25-5-3-2-4-21(25)18-34-27(30)33/h2-9,22,24H,10-18H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	69	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity was evaluated by measuring the displacement of [3H]-OT (oxytocin) from specific binding sites in uterine tissue obtained from rats				J Med Chem 38: 4634-6 (1995) BindingDB Entry DOI: 10.7270/Q2ZW1JXC
					More data for this Ligand-Target Pair
Vasopressin V1a receptor (Homo sapiens (Human))	BDBM50029646 (1-{1-[4-(1-Acetyl-piperidin-4-yloxy)-benzoyl]-pipe...) Show SMILES CC(=O)N1CCC(CC1)Oc1ccc(cc1)C(=O)N1CCC(CC1)N1C(=O)OCc2ccccc12 Show InChI InChI=1S/C27H31N3O5/c1-19(31)28-16-12-24(13-17-28)35-23-8-6-20(7-9-23)26(32)29-14-10-22(11-15-29)30-25-5-3-2-4-21(25)18-34-27(30)33/h2-9,22,24H,10-18H2,1H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.20E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity was evaluated by measuring the displacement of [3H]-AVP (arginine vasopressin) from specific binding sites in human platelets				J Med Chem 38: 4634-6 (1995) BindingDB Entry DOI: 10.7270/Q2ZW1JXC
					More data for this Ligand-Target Pair
Vasopressin V2 Receptor (Rattus norvegicus (Rat))	BDBM50029646 (1-{1-[4-(1-Acetyl-piperidin-4-yloxy)-benzoyl]-pipe...) Show SMILES CC(=O)N1CCC(CC1)Oc1ccc(cc1)C(=O)N1CCC(CC1)N1C(=O)OCc2ccccc12 Show InChI InChI=1S/C27H31N3O5/c1-19(31)28-16-12-24(13-17-28)35-23-8-6-20(7-9-23)26(32)29-14-10-22(11-15-29)30-25-5-3-2-4-21(25)18-34-27(30)33/h2-9,22,24H,10-18H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity was evaluated by measuring the displacement of [3H]-AVP (arginine vasopressin) from specific binding sites in kidney medulla obtaine...				J Med Chem 38: 4634-6 (1995) BindingDB Entry DOI: 10.7270/Q2ZW1JXC
					More data for this Ligand-Target Pair