BDBM50152981 (2S,4R)-4-Methoxy-2-(4-pyrrolidin-1-yl-piperidine-1-carbothioyl)-pyrrolidine-1-carboxylic acid 2-chloro-4-(5,6,7,8-tetrahydro-thieno[3,2-b]azepine-4-carbonyl)-benzylamide::CHEMBL181487

SMILES: CO[C@@H]1C[C@H](N(C1)C(=O)NCc1ccc(cc1Cl)C(=O)N1CCCCc2sccc12)C(=S)N1CCC(CC1)N1CCCC1

InChI Key: InChIKey=YMDLBPBPLQWWAA-NAKRPHOHSA-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 = 50152981   

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))	BDBM50152981 ((2S,4R)-4-Methoxy-2-(4-pyrrolidin-1-yl-piperidine-...) Show SMILES CO[C@@H]1C[C@H](N(C1)C(=O)NCc1ccc(cc1Cl)C(=O)N1CCCCc2sccc12)C(=S)N1CCC(CC1)N1CCCC1 Show InChI InChI=1S/C32H42ClN5O3S2/c1-41-25-19-28(31(42)36-15-9-24(10-16-36)35-12-4-5-13-35)38(21-25)32(40)34-20-23-8-7-22(18-26(23)33)30(39)37-14-3-2-6-29-27(37)11-17-43-29/h7-8,11,17-18,24-25,28H,2-6,9-10,12-16,19-21H2,1H3,(H,34,40)/t25-,28+/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	480	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))	BDBM50152981 ((2S,4R)-4-Methoxy-2-(4-pyrrolidin-1-yl-piperidine-...) Show SMILES CO[C@@H]1C[C@H](N(C1)C(=O)NCc1ccc(cc1Cl)C(=O)N1CCCCc2sccc12)C(=S)N1CCC(CC1)N1CCCC1 Show InChI InChI=1S/C32H42ClN5O3S2/c1-41-25-19-28(31(42)36-15-9-24(10-16-36)35-12-4-5-13-35)38(21-25)32(40)34-20-23-8-7-22(18-26(23)33)30(39)37-14-3-2-6-29-27(37)11-17-43-29/h7-8,11,17-18,24-25,28H,2-6,9-10,12-16,19-21H2,1H3,(H,34,40)/t25-,28+/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	100	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