BDBM50152978 (3S,5R)-4-Methoxy-2-(4-methyl-[1,4]diazepane-1-carbonyl)-pyrrolidine-1-carboxylic acid 2-chloro-4-(5,6,7,8-tetrahydro-thieno[3,2-b]azepine-4-carbonyl)-benzylamide::CHEMBL364994

SMILES: CO[C@@H]1C[C@H](N(C1)C(=O)NCc1ccc(cc1Cl)C(=O)N1CCCCc2sccc12)C(=O)N1CCCN(C)CC1

InChI Key: InChIKey=QPZRQOXEDOMSOS-RDGATRHJSA-N

Data: 2 EC50

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 = 50152978   

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))	BDBM50152978 ((3S,5R)-4-Methoxy-2-(4-methyl-[1,4]diazepane-1-car...) Show SMILES CO[C@@H]1C[C@H](N(C1)C(=O)NCc1ccc(cc1Cl)C(=O)N1CCCCc2sccc12)C(=O)N1CCCN(C)CC1 Show InChI InChI=1S/C29H38ClN5O4S/c1-32-10-5-11-33(14-13-32)28(37)25-17-22(39-2)19-35(25)29(38)31-18-21-8-7-20(16-23(21)30)27(36)34-12-4-3-6-26-24(34)9-15-40-26/h7-9,15-16,22,25H,3-6,10-14,17-19H2,1-2H3,(H,31,38)/t22-,25+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2.80E+3	n/a	n/a	n/a	n/a
Ferring Research Ltd Curated by ChEMBL					Assay Description Effective concentration for human Oxytocin receptor				Bioorg Med Chem Lett 14: 4585-9 (2004) Article DOI: 10.1016/j.bmcl.2004.04.107 BindingDB Entry DOI: 10.7270/Q2DF6QPR
					More data for this Ligand-Target Pair
Vasopressin V2 receptor (Homo sapiens (Human))	BDBM50152978 ((3S,5R)-4-Methoxy-2-(4-methyl-[1,4]diazepane-1-car...) Show SMILES CO[C@@H]1C[C@H](N(C1)C(=O)NCc1ccc(cc1Cl)C(=O)N1CCCCc2sccc12)C(=O)N1CCCN(C)CC1 Show InChI InChI=1S/C29H38ClN5O4S/c1-32-10-5-11-33(14-13-32)28(37)25-17-22(39-2)19-35(25)29(38)31-18-21-8-7-20(16-23(21)30)27(36)34-12-4-3-6-26-24(34)9-15-40-26/h7-9,15-16,22,25H,3-6,10-14,17-19H2,1-2H3,(H,31,38)/t22-,25+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a
Ferring Research Ltd Curated by ChEMBL					Assay Description Effective concentration for human Vassopressin V2 receptor				Bioorg Med Chem Lett 14: 4585-9 (2004) Article DOI: 10.1016/j.bmcl.2004.04.107 BindingDB Entry DOI: 10.7270/Q2DF6QPR
					More data for this Ligand-Target Pair