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BDBM50392486 CHEMBL2152056

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](CCCN=C(N)N(C)C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O

InChI Key: InChIKey=OCPWMJLUGMDFNB-NSWSVTGLSA-N

Data: 1 EC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50392486   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
G-protein Coupled Receptor 54


(Homo sapiens (Human))		BDBM50392486
PNG
(CHEMBL2152056)
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](CCCN=C(N)N(C)C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r,w:76.79|
Show InChI InChI=1S/C65H87N17O14/c1-36(2)26-47(60(92)75-45(20-13-25-71-65(70)82(3)4)59(91)76-46(56(69)88)28-37-14-7-5-8-15-37)74-55(87)34-73-58(90)48(29-38-16-9-6-10-17-38)78-64(96)52(35-83)81-63(95)51(32-54(68)86)80-61(93)49(30-40-33-72-44-19-12-11-18-42(40)44)79-62(94)50(31-53(67)85)77-57(89)43(66)27-39-21-23-41(84)24-22-39/h5-12,14-19,21-24,33,36,43,45-52,72,83-84H,13,20,25-32,34-35,66H2,1-4H3,(H2,67,85)(H2,68,86)(H2,69,88)(H2,70,71)(H,73,90)(H,74,87)(H,75,92)(H,76,91)(H,77,89)(H,78,96)(H,79,94)(H,80,93)(H,81,95)/t43-,45-,46-,47-,48-,49-,50-,51-,52-/m0/s1
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n/an/an/an/a 0.0390n/an/an/an/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