BDBM50543463 CHEMBL4638745

SMILES: [H][C@]1(CSSC[C@]([H])(NC(=O)[C@H](C)N)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccc(cc2)-c2cccnc2)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)N[C@@H](C(C)C)C(O)=O

InChI Key: InChIKey=PEBDDQPQTVCGOE-XTBCULCOSA-N

Data: 1 IC50

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 = 50543463   

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
Urotensin II receptor (Homo sapiens (Human))	BDBM50543463 (CHEMBL4638745) Show SMILES [H][C@]1(CSSC[C@]([H])(NC(=O)[C@H](C)N)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccc(cc2)-c2cccnc2)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)N[C@@H](C(C)C)C(O)=O |r| Show InChI InChI=1S/C52H66N10O10S2/c1-30(2)44(52(71)72)62-51(70)43-29-74-73-28-42(60-45(64)31(3)54)50(69)59-39(24-32-10-5-4-6-11-32)48(67)58-40(25-33-14-18-35(19-15-33)36-12-9-23-55-27-36)47(66)56-38(13-7-8-22-53)46(65)57-41(49(68)61-43)26-34-16-20-37(63)21-17-34/h4-6,9-12,14-21,23,27,30-31,38-44,63H,7-8,13,22,24-26,28-29,53-54H2,1-3H3,(H,56,66)(H,57,65)(H,58,67)(H,59,69)(H,60,64)(H,61,68)(H,62,70)(H,71,72)/t31-,38-,39-,40-,41-,42-,43-,44-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	PubMed	n/a	n/a	102	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ du Qu£bec Curated by ChEMBL					Assay Description Antagonist activity at human UT receptor expressed in HEK293 cells using Na [125I] incubated for 2 hrs by gamma counting method				ACS Med Chem Lett 11: 1717-1722 (2020)
					More data for this Ligand-Target Pair