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BDBM50469870 CHEMBL275499

SMILES: CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)c1ccccc1)C(N)c1ccc([N+]([O-])=O)c2nonc12)C(N)=O

InChI Key: InChIKey=OKXLSGQKWYPVBD-PFRFMOEZSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50469870   
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
Neurokinin 2 receptor


(Homo sapiens (Human))		BDBM50469870
PNG
(CHEMBL275499)
Show SMILES CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)c1ccccc1)C(N)c1ccc([N+]([O-])=O)c2nonc12)C(N)=O
Show InChI InChI=1S/C55H63N13O11/c1-3-4-20-38(48(57)69)60-52(73)42-22-13-26-66(42)55(76)43-23-14-27-67(43)54(75)40(28-32-15-7-5-8-16-32)62-51(72)39(29-34-30-58-37-21-12-11-19-35(34)37)61-49(70)31(2)59-53(74)47(63-50(71)33-17-9-6-10-18-33)44(56)36-24-25-41(68(77)78)46-45(36)64-79-65-46/h5-12,15-19,21,24-25,30-31,38-40,42-44,47,58H,3-4,13-14,20,22-23,26-29,56H2,1-2H3,(H2,57,69)(H,59,74)(H,60,73)(H,61,70)(H,62,72)(H,63,71)/t31-,38-,39-,40-,42-,43-,44?,47-/m0/s1
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KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
 6.60n/an/an/an/an/an/an/an/a



Glaxo Institute for Molecular Biology

Curated by ChEMBL


Assay Description
Binding affinity against human NK2 receptors expressed in CHO cells using [3H]GR-100679 as radioligand

J Med Chem 37: 1991-5 (1994)


Article DOI: 10.1021/jm00039a012
BindingDB Entry DOI: 10.7270/Q2DZ0C10
More data for this
Ligand-Target Pair