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SMILES: COc1ccc2CC3N(CC4CC4)CCC45[C@@H](Oc1c24)[C@@]1(OC)C=C[C@@]35CC1[C@@H](C)N=C=S

InChI Key: InChIKey=CBPASLHMRDUOQC-ZVIHCYBGSA-N

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   Substructure
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50406412   
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


(CALF)		BDBM50406412
PNG
(CHEMBL2021333)
Show SMILES COc1ccc2CC3N(CC4CC4)CCC45[C@@H](Oc1c24)[C@@]1(OC)C=C[C@@]35CC1[C@@H](C)N=C=S |r,wU:28.35,wD:16.17,25.28,20.24,c:27,THB:9:8:25:19.5.6,18:19:25:8.14.13,24:25:19.5.6:8.14.13,(-7.82,18.41,;-7.83,16.87,;-6.49,16.1,;-5.16,16.87,;-3.81,16.1,;-3.81,14.56,;-2.48,13.79,;-2.49,12.24,;-1.16,11.46,;.17,10.69,;1.66,11.1,;3.14,10.7,;2.42,12.43,;-1.4,13.37,;-4.06,13.37,;-5.16,12.27,;-6.49,11.52,;-7.24,13.02,;-6.49,14.56,;-5.14,13.79,;-6.51,9.98,;-7.85,9.23,;-9.18,10.02,;-5.21,10.13,;-5.2,11.5,;-3.82,11.47,;-3.85,9.94,;-5.19,9.19,;-5.2,7.65,;-4.43,6.33,;-6.54,6.89,;-7.89,6.13,;-9.23,5.37,)|
Show InChI InChI=1S/C27H32N2O3S/c1-16(28-15-33)19-13-25-8-9-27(19,31-3)24-26(25)10-11-29(14-17-4-5-17)21(25)12-18-6-7-20(30-2)23(32-24)22(18)26/h6-9,16-17,19,21,24H,4-5,10-14H2,1-3H3/t16-,19?,21?,24-,25-,26?,27-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 434n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of 0.5 nM [3H]- Bremazocine binding to Opioid receptor mu 1 of bovine striatum membrane

J Med Chem 33: 2286-96 (1990)


BindingDB Entry DOI: 10.7270/Q2K074WV
More data for this
Ligand-Target Pair