BDBM50112113 CHEMBL410219::Glu-Thr-Pro-Ala-Cys-Phe-Trp-Lys-Tyr-Cys-Val

SMILES: CC(C)[C@H](NC(=O)[C@H](CS)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CS)NC(=O)C(C)NC(=O)[C@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](N)CCC(O)=O)[C@@H](C)O)C(O)=O

InChI Key: InChIKey=HTZXIIHTBWAEBG-DKWSLDFJSA-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 = 50112113   

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))	BDBM50112113 (CHEMBL410219 | Glu-Thr-Pro-Ala-Cys-Phe-Trp-Lys-Tyr...) Show SMILES CC(C)[C@H](NC(=O)[C@H](CS)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CS)NC(=O)C(C)NC(=O)[C@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](N)CCC(O)=O)[C@@H](C)O)C(O)=O Show InChI InChI=1S/C63H87N13O16S2/c1-33(2)51(63(91)92)74-60(88)48(32-94)73-57(85)45(28-37-19-21-39(78)22-20-37)69-55(83)43(17-10-11-25-64)68-58(86)46(29-38-30-66-42-16-9-8-15-40(38)42)71-56(84)44(27-36-13-6-5-7-14-36)70-59(87)47(31-93)72-53(81)34(3)67-61(89)49-18-12-26-76(49)62(90)52(35(4)77)75-54(82)41(65)23-24-50(79)80/h5-9,13-16,19-22,30,33-35,41,43-49,51-52,66,77-78,93-94H,10-12,17-18,23-29,31-32,64-65H2,1-4H3,(H,67,89)(H,68,86)(H,69,83)(H,70,87)(H,71,84)(H,72,81)(H,73,85)(H,74,88)(H,75,82)(H,79,80)(H,91,92)/t34?,35-,41+,43+,44+,45+,46+,47+,48+,49-,51+,52+/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	2.70	n/a	n/a	n/a	n/a
Aventis Pharma Germany GmbH Curated by ChEMBL					Assay Description Mobilization of intracellular calcium in CHO cells transiently transfected with human Urotensin 2 receptor				J Med Chem 45: 1799-805 (2002) BindingDB Entry DOI: 10.7270/Q23N22Q3
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