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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Substance-K receptor' and Ligand = 'BDBM50001444'   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Substance-K receptor


(HAMSTER)		BDBM50001444
PNG
(3-Amino-N-{1-[1-(1-{[(1-{[(1-carbamoyl-3-methyl-bu...)
Show SMILES CC(C)C[C@@H](CN([C@@H](CC(C)C)C(N)=O)C(=O)CC(C)C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@@H](N)CC(O)=O)C(C)C
Show InChI InChI=1S/C40H66N8O10/c1-22(2)14-27(20-48(33(51)16-24(5)6)31(36(42)54)15-23(3)4)44-32(50)19-43-40(58)35(25(7)8)47-38(56)29(17-26-12-10-9-11-13-26)45-39(57)30(21-49)46-37(55)28(41)18-34(52)53/h9-13,22-25,27-31,35,49H,14-21,41H2,1-8H3,(H2,42,54)(H,43,58)(H,44,50)(H,45,57)(H,46,55)(H,47,56)(H,52,53)/t27-,28-,29-,30-,31-,35-/m0/s1
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 162n/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