BDBM50219509 CHEMBL287325

SMILES: O=C(Cn1ccccc1=O)NCc1cc2cc(ccc2o1)C(=O)N1CCC(CC1)N1C(=O)OCc2ccccc12

InChI Key: InChIKey=KOBCZGPKJLCMDK-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 = 50219509   

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))	BDBM50219509 (CHEMBL287325) Show SMILES O=C(Cn1ccccc1=O)NCc1cc2cc(ccc2o1)C(=O)N1CCC(CC1)N1C(=O)OCc2ccccc12 Show InChI InChI=1S/C30H28N4O6/c35-27(18-33-12-4-3-7-28(33)36)31-17-24-16-22-15-20(8-9-26(22)40-24)29(37)32-13-10-23(11-14-32)34-25-6-2-1-5-21(25)19-39-30(34)38/h1-9,12,15-16,23H,10-11,13-14,17-19H2,(H,31,35)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	6.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Displacement of 3[H]oxytocin from human oxytocin receptor				Bioorg Med Chem Lett 12: 1405-11 (2002) BindingDB Entry DOI: 10.7270/Q2C24VRF
					More data for this Ligand-Target Pair
Oxytocin receptor (Homo sapiens (Human))	BDBM50219509 (CHEMBL287325) Show SMILES O=C(Cn1ccccc1=O)NCc1cc2cc(ccc2o1)C(=O)N1CCC(CC1)N1C(=O)OCc2ccccc12 Show InChI InChI=1S/C30H28N4O6/c35-27(18-33-12-4-3-7-28(33)36)31-17-24-16-22-15-20(8-9-26(22)40-24)29(37)32-13-10-23(11-14-32)34-25-6-2-1-5-21(25)19-39-30(34)38/h1-9,12,15-16,23H,10-11,13-14,17-19H2,(H,31,35)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	6.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Ability to displace [3H]oxytocin from human OT receptor (hOT)				Bioorg Med Chem Lett 12: 1399-404 (2002) BindingDB Entry DOI: 10.7270/Q2HT2RH4
					More data for this Ligand-Target Pair