BDBM50411358 CHEMBL394411

SMILES: CCOc1ccc(C[C@H]2NC(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC2=O)[C@@H](C)CC)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)cc1

InChI Key: InChIKey=DBEFVIUHZSNDLS-QWRNYUHBSA-N

Data: 1 Kd

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 1 hit for monomerid = 50411358   

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 (RAT)	BDBM50411358 (CHEMBL394411) Show SMILES CCOc1ccc(C[C@H]2NC(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC2=O)[C@@H](C)CC)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)cc1 Show InChI InChI=1S/C45H70N12O12S2/c1-6-24(5)37-44(67)51-28(14-15-34(47)58)40(63)53-31(19-35(48)59)41(64)55-32(45(68)57-16-8-9-33(57)43(66)54-29(17-23(3)4)39(62)50-20-36(49)60)22-71-70-21-27(46)38(61)52-30(42(65)56-37)18-25-10-12-26(13-11-25)69-7-2/h10-13,23-24,27-33,37H,6-9,14-22,46H2,1-5H3,(H2,47,58)(H2,48,59)(H2,49,60)(H,50,62)(H,51,67)(H,52,61)(H,53,63)(H,54,66)(H,55,64)(H,56,65)/t24-,27-,28-,29-,30+,31-,32-,33-,37?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	43.6	n/a	n/a	n/a	n/a	n/a
University of Patras Curated by ChEMBL					Assay Description Antagonist activity in rat uterus by uterotonic assay				Eur J Med Chem 42: 799-806 (2007) Article DOI: 10.1016/j.ejmech.2006.12.016 BindingDB Entry DOI: 10.7270/Q2P55N5J
					More data for this Ligand-Target Pair