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BDBM50007664 7-chloro-2-methylamino-5-phenyl-3H-1,4-benzodiazepin-4-oxide::7-chloro-N-methyl-5-phenyl-3H-1,4-benzodiazepin-2-amine 4-oxide::CDP::CHEMBL451::CHLORDIAZEPOXIDE::clopoxide::methaminodiazepoxide

SMILES: CNC1=Nc2ccc(Cl)cc2C(c2ccccc2)=[N+]([O-])C1

InChI Key: InChIKey=ANTSCNMPPGJYLG-UHFFFAOYSA-N

Data: 17 KI  3 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 24 hits for monomerid = 50007664   
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
GABA receptor alpha-3/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50007664
PNG
(7-chloro-2-methylamino-5-phenyl-3H-1,4-benzodiazep...)
Show SMILES CNC1=Nc2ccc(Cl)cc2C(c2ccccc2)=[N+]([O-])C1 |t:2,19|
Show InChI InChI=1S/C16H14ClN3O/c1-18-15-10-20(21)16(11-5-3-2-4-6-11)13-9-12(17)7-8-14(13)19-15/h2-9H,10H2,1H3,(H,18,19)
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275n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity by displacement of [3H]-Ro-15-1788 from recombinant human gamma-aminobutyric-acid A receptor alpha3,beta3,gamma2 stably expressed in...


J Med Chem 45: 1887-900 (2002)


BindingDB Entry DOI: 10.7270/Q2KP81HZ
More data for this
Ligand-Target Pair
GABA receptor alpha-5/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50007664
PNG
(7-chloro-2-methylamino-5-phenyl-3H-1,4-benzodiazep...)
Show SMILES CNC1=Nc2ccc(Cl)cc2C(c2ccccc2)=[N+]([O-])C1 |t:2,19|
Show InChI InChI=1S/C16H14ClN3O/c1-18-15-10-20(21)16(11-5-3-2-4-6-11)13-9-12(17)7-8-14(13)19-15/h2-9H,10H2,1H3,(H,18,19)
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320n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [3H]-Ro-15-1788 binding to human GABA A receptor (alpha5-beta3-gamma2) stably expressed in L(tk-) cells.


J Med Chem 45: 1887-900 (2002)


BindingDB Entry DOI: 10.7270/Q2KP81HZ
More data for this
Ligand-Target Pair
GABA receptor alpha-5/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50007664
PNG
(7-chloro-2-methylamino-5-phenyl-3H-1,4-benzodiazep...)
Show SMILES CNC1=Nc2ccc(Cl)cc2C(c2ccccc2)=[N+]([O-])C1 |t:2,19|
Show InChI InChI=1S/C16H14ClN3O/c1-18-15-10-20(21)16(11-5-3-2-4-6-11)13-9-12(17)7-8-14(13)19-15/h2-9H,10H2,1H3,(H,18,19)
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368n/an/an/an/an/an/an/an/a



Merck

Curated by ChEMBL




Bioorg Med Chem Lett 14: 2871-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.054
BindingDB Entry DOI: 10.7270/Q2KW5GK5
More data for this
Ligand-Target Pair
GABA receptor alpha-5/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50007664
PNG
(7-chloro-2-methylamino-5-phenyl-3H-1,4-benzodiazep...)
Show SMILES CNC1=Nc2ccc(Cl)cc2C(c2ccccc2)=[N+]([O-])C1 |t:2,19|
Show InChI InChI=1S/C16H14ClN3O/c1-18-15-10-20(21)16(11-5-3-2-4-6-11)13-9-12(17)7-8-14(13)19-15/h2-9H,10H2,1H3,(H,18,19)
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368n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-Ro- 15-1788 from human gamma-aminobutyric-acid GABA-A receptor alpha5-beta3-gamma2 expressed in L(tk-) cells


J Med Chem 47: 5829-32 (2004)


Article DOI: 10.1021/jm040863t
BindingDB Entry DOI: 10.7270/Q2CZ36MC
More data for this
Ligand-Target Pair
GABA receptor alpha-2/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50007664
PNG
(7-chloro-2-methylamino-5-phenyl-3H-1,4-benzodiazep...)
Show SMILES CNC1=Nc2ccc(Cl)cc2C(c2ccccc2)=[N+]([O-])C1 |t:2,19|
Show InChI InChI=1S/C16H14ClN3O/c1-18-15-10-20(21)16(11-5-3-2-4-6-11)13-9-12(17)7-8-14(13)19-15/h2-9H,10H2,1H3,(H,18,19)
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392n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-Ro- 15-1788 from human gamma-aminobutyric-acid GABA-A receptor alpha2-beta3-gamma2 expressed in L(tk-) cells


J Med Chem 47: 5829-32 (2004)


Article DOI: 10.1021/jm040863t
BindingDB Entry DOI: 10.7270/Q2CZ36MC
More data for this
Ligand-Target Pair
GABA receptor alpha-2/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50007664
PNG
(7-chloro-2-methylamino-5-phenyl-3H-1,4-benzodiazep...)
Show SMILES CNC1=Nc2ccc(Cl)cc2C(c2ccccc2)=[N+]([O-])C1 |t:2,19|
Show InChI InChI=1S/C16H14ClN3O/c1-18-15-10-20(21)16(11-5-3-2-4-6-11)13-9-12(17)7-8-14(13)19-15/h2-9H,10H2,1H3,(H,18,19)
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392n/an/an/an/an/an/an/an/a



Merck

Curated by ChEMBL




Bioorg Med Chem Lett 14: 2871-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.054
BindingDB Entry DOI: 10.7270/Q2KW5GK5
More data for this
Ligand-Target Pair
Peripheral-Type Benzodiazepine Receptor


(Rattus norvegicus (rat))
BDBM50007664
PNG
(7-chloro-2-methylamino-5-phenyl-3H-1,4-benzodiazep...)
Show SMILES CNC1=Nc2ccc(Cl)cc2C(c2ccccc2)=[N+]([O-])C1 |t:2,19|
Show InChI InChI=1S/C16H14ClN3O/c1-18-15-10-20(21)16(11-5-3-2-4-6-11)13-9-12(17)7-8-14(13)19-15/h2-9H,10H2,1H3,(H,18,19)
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438n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity of the compound was determined against rat benzodiazepine (BZD) receptor


Bioorg Med Chem Lett 12: 3219-22 (2002)


BindingDB Entry DOI: 10.7270/Q2GQ6X4F
More data for this
Ligand-Target Pair
GABA receptor alpha-2/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50007664
PNG
(7-chloro-2-methylamino-5-phenyl-3H-1,4-benzodiazep...)
Show SMILES CNC1=Nc2ccc(Cl)cc2C(c2ccccc2)=[N+]([O-])C1 |t:2,19|
Show InChI InChI=1S/C16H14ClN3O/c1-18-15-10-20(21)16(11-5-3-2-4-6-11)13-9-12(17)7-8-14(13)19-15/h2-9H,10H2,1H3,(H,18,19)
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460n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-Ro- 15-1788 from human GABA-A alpha2-beta3-gamma2 receptor subunits expressed in Xenopus oocytes


J Med Chem 47: 2176-9 (2004)


Article DOI: 10.1021/jm031076j
BindingDB Entry DOI: 10.7270/Q2ST7P90
More data for this
Ligand-Target Pair
GABA receptor alpha-2/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50007664
PNG
(7-chloro-2-methylamino-5-phenyl-3H-1,4-benzodiazep...)
Show SMILES CNC1=Nc2ccc(Cl)cc2C(c2ccccc2)=[N+]([O-])C1 |t:2,19|
Show InChI InChI=1S/C16H14ClN3O/c1-18-15-10-20(21)16(11-5-3-2-4-6-11)13-9-12(17)7-8-14(13)19-15/h2-9H,10H2,1H3,(H,18,19)
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460n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-Ro-15-1788 from human Gamma-aminobutyric-acid A receptor alpha2-beta3-gamma2 stably expressed in L(tk-) cells


J Med Chem 45: 1887-900 (2002)


BindingDB Entry DOI: 10.7270/Q2KP81HZ
More data for this
Ligand-Target Pair
GABA receptor alpha-3/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50007664
PNG
(7-chloro-2-methylamino-5-phenyl-3H-1,4-benzodiazep...)
Show SMILES CNC1=Nc2ccc(Cl)cc2C(c2ccccc2)=[N+]([O-])C1 |t:2,19|
Show InChI InChI=1S/C16H14ClN3O/c1-18-15-10-20(21)16(11-5-3-2-4-6-11)13-9-12(17)7-8-14(13)19-15/h2-9H,10H2,1H3,(H,18,19)
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471n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-Ro- 15-1788 from human gamma-aminobutyric-acid GABA-A receptor alpha3-beta3-gamma2 expressed in L(tk-) cells


J Med Chem 47: 5829-32 (2004)


Article DOI: 10.1021/jm040863t
BindingDB Entry DOI: 10.7270/Q2CZ36MC
More data for this
Ligand-Target Pair
GABA receptor alpha-3/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50007664
PNG
(7-chloro-2-methylamino-5-phenyl-3H-1,4-benzodiazep...)
Show SMILES CNC1=Nc2ccc(Cl)cc2C(c2ccccc2)=[N+]([O-])C1 |t:2,19|
Show InChI InChI=1S/C16H14ClN3O/c1-18-15-10-20(21)16(11-5-3-2-4-6-11)13-9-12(17)7-8-14(13)19-15/h2-9H,10H2,1H3,(H,18,19)
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471n/an/an/an/an/an/an/an/a



Merck

Curated by ChEMBL




Bioorg Med Chem Lett 14: 2871-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.054
BindingDB Entry DOI: 10.7270/Q2KW5GK5
More data for this
Ligand-Target Pair
GABA receptor alpha-5/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50007664
PNG
(7-chloro-2-methylamino-5-phenyl-3H-1,4-benzodiazep...)
Show SMILES CNC1=Nc2ccc(Cl)cc2C(c2ccccc2)=[N+]([O-])C1 |t:2,19|
Show InChI InChI=1S/C16H14ClN3O/c1-18-15-10-20(21)16(11-5-3-2-4-6-11)13-9-12(17)7-8-14(13)19-15/h2-9H,10H2,1H3,(H,18,19)
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520n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-Ro- 15-1788 from human GABA-A alpha5-beta3-gamma2 receptor subunits expressed in Xenopus oocytes


J Med Chem 47: 2176-9 (2004)


Article DOI: 10.1021/jm031076j
BindingDB Entry DOI: 10.7270/Q2ST7P90
More data for this
Ligand-Target Pair
GABA receptor alpha-1/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50007664
PNG
(7-chloro-2-methylamino-5-phenyl-3H-1,4-benzodiazep...)
Show SMILES CNC1=Nc2ccc(Cl)cc2C(c2ccccc2)=[N+]([O-])C1 |t:2,19|
Show InChI InChI=1S/C16H14ClN3O/c1-18-15-10-20(21)16(11-5-3-2-4-6-11)13-9-12(17)7-8-14(13)19-15/h2-9H,10H2,1H3,(H,18,19)
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560n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [3H]-Ro-15-1788 binding to human GABA A receptor (alpha1-beta3-gamma2) stably expressed in L(tk-) cells.


J Med Chem 45: 1887-900 (2002)


BindingDB Entry DOI: 10.7270/Q2KP81HZ
More data for this
Ligand-Target Pair
GABA receptor alpha-1/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50007664
PNG
(7-chloro-2-methylamino-5-phenyl-3H-1,4-benzodiazep...)
Show SMILES CNC1=Nc2ccc(Cl)cc2C(c2ccccc2)=[N+]([O-])C1 |t:2,19|
Show InChI InChI=1S/C16H14ClN3O/c1-18-15-10-20(21)16(11-5-3-2-4-6-11)13-9-12(17)7-8-14(13)19-15/h2-9H,10H2,1H3,(H,18,19)
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605n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-Ro- 15-1788 from human gamma-aminobutyric-acid GABA-A receptor alpha1-beta3-gamma2 expressed in L(tk-) cells


J Med Chem 47: 5829-32 (2004)


Article DOI: 10.1021/jm040863t
BindingDB Entry DOI: 10.7270/Q2CZ36MC
More data for this
Ligand-Target Pair
GABA receptor alpha-1/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50007664
PNG
(7-chloro-2-methylamino-5-phenyl-3H-1,4-benzodiazep...)
Show SMILES CNC1=Nc2ccc(Cl)cc2C(c2ccccc2)=[N+]([O-])C1 |t:2,19|
Show InChI InChI=1S/C16H14ClN3O/c1-18-15-10-20(21)16(11-5-3-2-4-6-11)13-9-12(17)7-8-14(13)19-15/h2-9H,10H2,1H3,(H,18,19)
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605n/an/an/an/an/an/an/an/a



Merck

Curated by ChEMBL




Bioorg Med Chem Lett 14: 2871-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.054
BindingDB Entry DOI: 10.7270/Q2KW5GK5
More data for this
Ligand-Target Pair
GABA receptor alpha-3/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50007664
PNG
(7-chloro-2-methylamino-5-phenyl-3H-1,4-benzodiazep...)
Show SMILES CNC1=Nc2ccc(Cl)cc2C(c2ccccc2)=[N+]([O-])C1 |t:2,19|
Show InChI InChI=1S/C16H14ClN3O/c1-18-15-10-20(21)16(11-5-3-2-4-6-11)13-9-12(17)7-8-14(13)19-15/h2-9H,10H2,1H3,(H,18,19)
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740n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-Ro- 15-1788 from human GABA-A alpha3-beta3-gamma2 receptor subunits expressed in Xenopus oocytes


J Med Chem 47: 2176-9 (2004)


Article DOI: 10.1021/jm031076j
BindingDB Entry DOI: 10.7270/Q2ST7P90
More data for this
Ligand-Target Pair
GABA receptor alpha-1/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50007664
PNG
(7-chloro-2-methylamino-5-phenyl-3H-1,4-benzodiazep...)
Show SMILES CNC1=Nc2ccc(Cl)cc2C(c2ccccc2)=[N+]([O-])C1 |t:2,19|
Show InChI InChI=1S/C16H14ClN3O/c1-18-15-10-20(21)16(11-5-3-2-4-6-11)13-9-12(17)7-8-14(13)19-15/h2-9H,10H2,1H3,(H,18,19)
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770n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-Ro- 15-1788 from human GABA-A alpha1-beta3-gamma2 receptor subunits expressed in Xenopus oocytes


J Med Chem 47: 2176-9 (2004)


Article DOI: 10.1021/jm031076j
BindingDB Entry DOI: 10.7270/Q2ST7P90
More data for this
Ligand-Target Pair
Canalicular multispecific organic anion transporter 2


(Homo sapiens (Human))
BDBM50007664
PNG
(7-chloro-2-methylamino-5-phenyl-3H-1,4-benzodiazep...)
Show SMILES CNC1=Nc2ccc(Cl)cc2C(c2ccccc2)=[N+]([O-])C1 |t:2,19|
Show InChI InChI=1S/C16H14ClN3O/c1-18-15-10-20(21)16(11-5-3-2-4-6-11)13-9-12(17)7-8-14(13)19-15/h2-9H,10H2,1H3,(H,18,19)
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n/an/a 1.33E+5n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL




Toxicol Sci 136: 216-41 (2013)

More data for this
Ligand-Target Pair
Bile salt export pump


(Homo sapiens (Human))
BDBM50007664
PNG
(7-chloro-2-methylamino-5-phenyl-3H-1,4-benzodiazep...)
Show SMILES CNC1=Nc2ccc(Cl)cc2C(c2ccccc2)=[N+]([O-])C1 |t:2,19|
Show InChI InChI=1S/C16H14ClN3O/c1-18-15-10-20(21)16(11-5-3-2-4-6-11)13-9-12(17)7-8-14(13)19-15/h2-9H,10H2,1H3,(H,18,19)
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n/an/a 4.41E+4n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL




Toxicol Sci 136: 216-41 (2013)

More data for this
Ligand-Target Pair
Canalicular multispecific organic anion transporter 1


(Homo sapiens (Human))
BDBM50007664
PNG
(7-chloro-2-methylamino-5-phenyl-3H-1,4-benzodiazep...)
Show SMILES CNC1=Nc2ccc(Cl)cc2C(c2ccccc2)=[N+]([O-])C1 |t:2,19|
Show InChI InChI=1S/C16H14ClN3O/c1-18-15-10-20(21)16(11-5-3-2-4-6-11)13-9-12(17)7-8-14(13)19-15/h2-9H,10H2,1H3,(H,18,19)
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n/an/a 1.33E+5n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL




Toxicol Sci 136: 216-41 (2013)

More data for this
Ligand-Target Pair
Bile salt export pump


(Homo sapiens (Human))
BDBM50007664
PNG
(7-chloro-2-methylamino-5-phenyl-3H-1,4-benzodiazep...)
Show SMILES CNC1=Nc2ccc(Cl)cc2C(c2ccccc2)=[N+]([O-])C1 |t:2,19|
Show InChI InChI=1S/C16H14ClN3O/c1-18-15-10-20(21)16(11-5-3-2-4-6-11)13-9-12(17)7-8-14(13)19-15/h2-9H,10H2,1H3,(H,18,19)
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n/an/a 2.50E+4n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL




Toxicol Sci 118: 485-500 (2010)


Article DOI: 10.1093/toxsci/kfq269
BindingDB Entry DOI: 10.7270/Q26Q20JN
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(Homo sapiens (Human))
BDBM50007664
PNG
(7-chloro-2-methylamino-5-phenyl-3H-1,4-benzodiazep...)
Show SMILES CNC1=Nc2ccc(Cl)cc2C(c2ccccc2)=[N+]([O-])C1 |t:2,19|
Show InChI InChI=1S/C16H14ClN3O/c1-18-15-10-20(21)16(11-5-3-2-4-6-11)13-9-12(17)7-8-14(13)19-15/h2-9H,10H2,1H3,(H,18,19)
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n/an/a 1.00E+5n/an/an/an/an/an/a



Merck Sharp& Dohme Research Laboratories

Curated by ChEMBL




J Med Chem 31: 264-8 (1988)


BindingDB Entry DOI: 10.7270/Q24B33HD
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 4


(Homo sapiens (Human))
BDBM50007664
PNG
(7-chloro-2-methylamino-5-phenyl-3H-1,4-benzodiazep...)
Show SMILES CNC1=Nc2ccc(Cl)cc2C(c2ccccc2)=[N+]([O-])C1 |t:2,19|
Show InChI InChI=1S/C16H14ClN3O/c1-18-15-10-20(21)16(11-5-3-2-4-6-11)13-9-12(17)7-8-14(13)19-15/h2-9H,10H2,1H3,(H,18,19)
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n/an/a 1.33E+5n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL




Toxicol Sci 136: 216-41 (2013)

More data for this
Ligand-Target Pair
Cholecystokinin receptor


(RAT)
BDBM50007664
PNG
(7-chloro-2-methylamino-5-phenyl-3H-1,4-benzodiazep...)
Show SMILES CNC1=Nc2ccc(Cl)cc2C(c2ccccc2)=[N+]([O-])C1 |t:2,19|
Show InChI InChI=1S/C16H14ClN3O/c1-18-15-10-20(21)16(11-5-3-2-4-6-11)13-9-12(17)7-8-14(13)19-15/h2-9H,10H2,1H3,(H,18,19)
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n/an/a 1.00E+5n/an/an/an/an/an/a



Merck Sharp& Dohme Research Laboratories

Curated by ChEMBL




J Med Chem 31: 264-8 (1988)


BindingDB Entry DOI: 10.7270/Q24B33HD
More data for this
Ligand-Target Pair