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BDBM50115095 4-cyclopropylmethyl-14-(6,7-diformyl-2-naphthylcarboxamido)-10,17-dihydroxy-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10-triene; hydrochloride::CHEMBL555713

SMILES: Oc1ccc2CC3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)NC(=O)c1ccc2cc(C=O)c(C=O)cc2c1

InChI Key: InChIKey=AXHDHZZPAIQXPS-RISIHSBBSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50115095   
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
Mu-type opioid receptor


(Homo sapiens (Human))		BDBM50115095
PNG
(4-cyclopropylmethyl-14-(6,7-diformyl-2-naphthylcar...)
Show SMILES Oc1ccc2CC3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)NC(=O)c1ccc2cc(C=O)c(C=O)cc2c1 |THB:17:18:22:7.13.12,3:4:22:7.13.12|
Show InChI InChI=1S/C33H32N2O6/c36-16-23-11-19-3-4-21(12-22(19)13-24(23)17-37)31(39)34-25-7-8-33(40)27-14-20-5-6-26(38)29-28(20)32(33,30(25)41-29)9-10-35(27)15-18-1-2-18/h3-6,11-13,16-18,25,27,30,38,40H,1-2,7-10,14-15H2,(H,34,39)/t25-,27?,30+,32+,33-/m1/s1
PDB

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PC cid
PC sid
UniChem

Similars
PubMed
 0.744n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of [3H]- diprenorphine binding on Opioid receptor mu 1 expressed in human embryonic kidney (HEK) cells

J Med Chem 45: 2887-90 (2002)


BindingDB Entry DOI: 10.7270/Q23N243V
More data for this
Ligand-Target Pair