BDBM50392481 CHEMBL2152051

SMILES: CC(C)C[C@H](NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O

InChI Key: InChIKey=XKHDWIKLGRHSNP-INXYWQKQSA-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 = 50392481   

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
G-protein Coupled Receptor 54 (Homo sapiens (Human))	BDBM50392481 (CHEMBL2152051) Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r| Show InChI InChI=1S/C63H82N16O15/c1-34(2)24-45(58(89)73-43(18-11-23-69-63(68)94)57(88)74-44(54(67)85)26-35-12-5-3-6-13-35)72-53(84)32-71-56(87)46(27-36-14-7-4-8-15-36)76-62(93)50(33-80)79-61(92)49(30-52(66)83)78-59(90)47(28-38-31-70-42-17-10-9-16-40(38)42)77-60(91)48(29-51(65)82)75-55(86)41(64)25-37-19-21-39(81)22-20-37/h3-10,12-17,19-22,31,34,41,43-50,70,80-81H,11,18,23-30,32-33,64H2,1-2H3,(H2,65,82)(H2,66,83)(H2,67,85)(H,71,87)(H,72,84)(H,73,89)(H,74,88)(H,75,86)(H,76,93)(H,77,91)(H,78,90)(H,79,92)(H3,68,69,94)/t41-,43-,44-,45-,46-,47-,48-,49-,50-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	7.20	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Ltd Curated by ChEMBL					Assay Description Agonist activity at human OT7T175 assessed as increase in intracellular calcium level by FLIPR assay				Bioorg Med Chem Lett 22: 6328-32 (2012) Article DOI: 10.1016/j.bmcl.2012.08.087 BindingDB Entry DOI: 10.7270/Q22F7PJT
					More data for this Ligand-Target Pair