BDBM50543461 CHEMBL4638346

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(OCc3ccccc3)cc2)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=VXKYDLVQNHMVCW-VZMLCZHDSA-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 = 50543461   

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))	BDBM50543461 (CHEMBL4638346) 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(OCc3ccccc3)cc2)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/C54H69N9O11S2/c1-32(2)46(54(72)73)63-53(71)45-31-76-75-30-44(61-47(65)33(3)56)52(70)60-41(26-34-12-6-4-7-13-34)50(68)59-42(28-36-19-23-39(24-20-36)74-29-37-14-8-5-9-15-37)49(67)57-40(16-10-11-25-55)48(66)58-43(51(69)62-45)27-35-17-21-38(64)22-18-35/h4-9,12-15,17-24,32-33,40-46,64H,10-11,16,25-31,55-56H2,1-3H3,(H,57,67)(H,58,66)(H,59,68)(H,60,70)(H,61,65)(H,62,69)(H,63,71)(H,72,73)/t33-,40-,41-,42-,43-,44-,45-,46-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	PubMed	n/a	n/a	7.90	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