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SMILES: Cc1cc(N)c2cc(NC(=O)c3ccccc3COc3ccc(CNCCCCN)cc3)ccc2n1

InChI Key: InChIKey=CMFMGQWSFBZJHX-UHFFFAOYSA-N

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50340702   
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
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50340702
PNG
(CHEMBL1762406 | N-(4-amino-2-methylquinolin-6-yl)-...)
Show SMILES Cc1cc(N)c2cc(NC(=O)c3ccccc3COc3ccc(CNCCCCN)cc3)ccc2n1
Show InChI InChI=1S/C29H33N5O2/c1-20-16-27(31)26-17-23(10-13-28(26)33-20)34-29(35)25-7-3-2-6-22(25)19-36-24-11-8-21(9-12-24)18-32-15-5-4-14-30/h2-3,6-13,16-17,32H,4-5,14-15,18-19,30H2,1H3,(H2,31,33)(H,34,35)
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Article
PubMed
n/an/a 4.26E+3n/an/an/an/an/an/a



Istituto Superiore di Sanit£

Curated by ChEMBL


Assay Description
Displacement of [3H]-naltrindole from human kappa opioid receptor expressed in human HEK293 cells after 2 hrs by scintillation counting


Eur J Med Chem 46: 1207-21 (2011)


Article DOI: 10.1016/j.ejmech.2011.01.040
BindingDB Entry DOI: 10.7270/Q2NK3FBC
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50340702
PNG
(CHEMBL1762406 | N-(4-amino-2-methylquinolin-6-yl)-...)
Show SMILES Cc1cc(N)c2cc(NC(=O)c3ccccc3COc3ccc(CNCCCCN)cc3)ccc2n1
Show InChI InChI=1S/C29H33N5O2/c1-20-16-27(31)26-17-23(10-13-28(26)33-20)34-29(35)25-7-3-2-6-22(25)19-36-24-11-8-21(9-12-24)18-32-15-5-4-14-30/h2-3,6-13,16-17,32H,4-5,14-15,18-19,30H2,1H3,(H2,31,33)(H,34,35)
PDB

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PC cid
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UniChem

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Article
PubMed
n/an/a 5.33E+3n/an/an/an/an/an/a



Istituto Superiore di Sanit£

Curated by ChEMBL


Assay Description
Displacement of [3H]-naltrindole from human mu opioid receptor expressed in CHO cells after 2 hrs by scintillation counting


Eur J Med Chem 46: 1207-21 (2011)


Article DOI: 10.1016/j.ejmech.2011.01.040
BindingDB Entry DOI: 10.7270/Q2NK3FBC
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50340702
PNG
(CHEMBL1762406 | N-(4-amino-2-methylquinolin-6-yl)-...)
Show SMILES Cc1cc(N)c2cc(NC(=O)c3ccccc3COc3ccc(CNCCCCN)cc3)ccc2n1
Show InChI InChI=1S/C29H33N5O2/c1-20-16-27(31)26-17-23(10-13-28(26)33-20)34-29(35)25-7-3-2-6-22(25)19-36-24-11-8-21(9-12-24)18-32-15-5-4-14-30/h2-3,6-13,16-17,32H,4-5,14-15,18-19,30H2,1H3,(H2,31,33)(H,34,35)
PDB

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KEGG

UniProtKB/SwissProt

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antibodypedia
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 800n/an/an/an/an/an/a



Istituto Superiore di Sanit£

Curated by ChEMBL


Assay Description
Displacement of [125I]Tyr14-nociceptin from human NOP receptor expressed in human HEK293 cells after 2 hrs by scintillation counting


Eur J Med Chem 46: 1207-21 (2011)


Article DOI: 10.1016/j.ejmech.2011.01.040
BindingDB Entry DOI: 10.7270/Q2NK3FBC
More data for this
Ligand-Target Pair