BDBM50320465 CFWKYC::CHEMBL1165793

SMILES: NCCCC[C@@H]1NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O)C(O)=O

InChI Key: InChIKey=JSYDWSHWYSGRFQ-LXOXETEGSA-N

Data: 1 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 1 hit for monomerid = 50320465   

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
UTS2R (RAT)	BDBM50320465 (CFWKYC | CHEMBL1165793) Show SMILES NCCCC[C@@H]1NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O)C(O)=O |r| Show InChI InChI=1S/C41H50N8O8S2/c42-17-7-6-12-31-37(52)47-33(19-25-13-15-27(50)16-14-25)39(54)49-35(41(56)57)23-59-58-22-29(43)36(51)46-32(18-24-8-2-1-3-9-24)38(53)48-34(40(55)45-31)20-26-21-44-30-11-5-4-10-28(26)30/h1-5,8-11,13-16,21,29,31-35,44,50H,6-7,12,17-20,22-23,42-43H2,(H,45,55)(H,46,51)(H,47,52)(H,48,53)(H,49,54)(H,56,57)/t29-,31-,32-,33-,34-,35-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.60	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research& Development Curated by ChEMBL					Assay Description Agonist activity at rat urotensin 2 receptor expressed in CHO cells assessed as calcium mobilization by FLIPR				J Med Chem 53: 2695-708 (2010) Article DOI: 10.1021/jm901294u BindingDB Entry DOI: 10.7270/Q20G3K9N
					More data for this Ligand-Target Pair