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BDBM50001441 4-(1-{1-[1-({[1-(1-Carbamoyl-3-methyl-butylcarbamoyl)-3-methyl-butylcarbamoyl]-methyl}-carbamoyl)-2-methyl-propylcarbamoyl]-2-phenyl-ethylcarbamoyl}-2-hydroxy-ethylamino)-butyric acid::CHEMBL340847

SMILES: CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NCCCC(O)=O)C(C)C)C(N)=O

InChI Key: InChIKey=OKXLCQCBXLVKMG-DJNSEWAMSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50001441   
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
TACR2


(HAMSTER)		BDBM50001441
PNG
(4-(1-{1-[1-({[1-(1-Carbamoyl-3-methyl-butylcarbamo...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NCCCC(O)=O)C(C)C)C(N)=O
Show InChI InChI=1S/C35H57N7O9/c1-20(2)15-24(31(36)47)40-32(48)25(16-21(3)4)39-28(44)18-38-35(51)30(22(5)6)42-33(49)26(17-23-11-8-7-9-12-23)41-34(50)27(19-43)37-14-10-13-29(45)46/h7-9,11-12,20-22,24-27,30,37,43H,10,13-19H2,1-6H3,(H2,36,47)(H,38,51)(H,39,44)(H,40,48)(H,41,50)(H,42,49)(H,45,46)/t24-,25-,26-,27-,30-/m0/s1
UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 1.65E+3n/an/an/an/an/an/a



Marion Merrell Dow Research Institute

Curated by ChEMBL


Assay Description
Competitive inhibition of [125I]NKA binding to hamster urinary bladder Tachykinin receptor 2

J Med Chem 35: 3949-55 (1992)


BindingDB Entry DOI: 10.7270/Q2FF3SZB
More data for this
Ligand-Target Pair