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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 = 'BDBM50001435'   
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)		BDBM50001435
PNG
(3-Amino-N-[1-(1-{1-[2-(1-{[(1-carbamoyl-2-phenyl-e...)
Show SMILES CCCN(C[C@H](CC(C)C)NC(=O)CCNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@@H](N)CC(O)=O)C(C)C)[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C42H64N8O9/c1-6-19-50(34(38(44)55)22-29-15-11-8-12-16-29)24-30(20-26(2)3)46-35(52)17-18-45-42(59)37(27(4)5)49-40(57)32(21-28-13-9-7-10-14-28)47-41(58)33(25-51)48-39(56)31(43)23-36(53)54/h7-16,26-27,30-34,37,51H,6,17-25,43H2,1-5H3,(H2,44,55)(H,45,59)(H,46,52)(H,47,58)(H,48,56)(H,49,57)(H,53,54)/t30-,31-,32-,33-,34-,37-/m0/s1
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 1n/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