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BDBM50469867 CHEMBL268783

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](CCCC(N)c1ccc([N+]([O-])=O)c2nonc12)NC(=O)c1ccccc1)C(N)=O

InChI Key: InChIKey=PISVQNMMDQNKGS-XPTLQOCUSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50469867   
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))		BDBM50469867
PNG
(CHEMBL268783)
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](CCCC(N)c1ccc([N+]([O-])=O)c2nonc12)NC(=O)c1ccccc1)C(N)=O
Show InChI InChI=1S/C58H69N13O11/c1-3-4-22-42(51(60)72)63-56(77)47-25-14-29-69(47)58(79)48-26-15-30-70(48)57(78)45(31-35-16-7-5-8-17-35)66-55(76)44(32-37-33-61-41-23-12-11-20-38(37)41)65-52(73)34(2)62-54(75)43(64-53(74)36-18-9-6-10-19-36)24-13-21-40(59)39-27-28-46(71(80)81)50-49(39)67-82-68-50/h5-12,16-20,23,27-28,33-34,40,42-45,47-48,61H,3-4,13-15,21-22,24-26,29-32,59H2,1-2H3,(H2,60,72)(H,62,75)(H,63,77)(H,64,74)(H,65,73)(H,66,76)/t34-,40?,42-,43-,44-,45-,47-,48-/m0/s1
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UniProtKB/SwissProt

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PC cid
PC sid
UniChem
Article
PubMed
 1.5n/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