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BDBM50405973 CHEMBL417095

SMILES: Nc1ncc(Cc2cccc(Cl)c2)c(N)n1

InChI Key: InChIKey=UMCWAPSUYPKLED-UHFFFAOYSA-N

Data: 13 KI  1 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 14 hits for monomerid = 50405973   
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
Dihydrofolate reductase


(Escherichia coli)
BDBM50405973
PNG
(CHEMBL417095)
Show SMILES Nc1ncc(Cc2cccc(Cl)c2)c(N)n1
Show InChI InChI=1S/C11H11ClN4/c12-9-3-1-2-7(5-9)4-8-6-15-11(14)16-10(8)13/h1-3,5-6H,4H2,(H4,13,14,15,16)
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223n/an/an/an/an/an/an/an/a



Uniroyal Chemical Co., Inc.

Curated by ChEMBL


Assay Description
Inhibition constant against binding of Escherichia coli dihydrofolate reductase


J Med Chem 31: 1396-406 (1988)


Article DOI: 10.1021/jm00402a025
BindingDB Entry DOI: 10.7270/Q2P55QQJ
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Escherichia coli)
BDBM50405973
PNG
(CHEMBL417095)
Show SMILES Nc1ncc(Cc2cccc(Cl)c2)c(N)n1
Show InChI InChI=1S/C11H11ClN4/c12-9-3-1-2-7(5-9)4-8-6-15-11(14)16-10(8)13/h1-3,5-6H,4H2,(H4,13,14,15,16)
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224n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound is evaluated for the inhibition of dihydrofolate reductase from Escherichia coli


J Med Chem 24: 538-44 (1981)


Article DOI: 10.1021/jm00137a012
BindingDB Entry DOI: 10.7270/Q2GF0WQM
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Escherichia coli)
BDBM50405973
PNG
(CHEMBL417095)
Show SMILES Nc1ncc(Cc2cccc(Cl)c2)c(N)n1
Show InChI InChI=1S/C11H11ClN4/c12-9-3-1-2-7(5-9)4-8-6-15-11(14)16-10(8)13/h1-3,5-6H,4H2,(H4,13,14,15,16)
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224n/an/an/an/an/an/an/an/a



Beijing Medical University

Curated by ChEMBL


Assay Description
Apparent inhibitory (log 1/Ki) activity against Escherichia coli dihydrofolate reductase


J Med Chem 31: 366-70 (1988)


Article DOI: 10.1021/jm00397a017
BindingDB Entry DOI: 10.7270/Q2BV7JTC
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Salmonella enterica subsp. enterica serovar Typhi)
BDBM50405973
PNG
(CHEMBL417095)
Show SMILES Nc1ncc(Cc2cccc(Cl)c2)c(N)n1
Show InChI InChI=1S/C11H11ClN4/c12-9-3-1-2-7(5-9)4-8-6-15-11(14)16-10(8)13/h1-3,5-6H,4H2,(H4,13,14,15,16)
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224n/an/an/an/an/an/an/an/a



Pomona College

Curated by ChEMBL


Assay Description
Inhibitory activity against Escherichia coli dihydrofolate reductase


J Med Chem 34: 46-54 (1991)


Article DOI: 10.1021/jm00105a008
BindingDB Entry DOI: 10.7270/Q2X92CH4
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Escherichia coli)
BDBM50405973
PNG
(CHEMBL417095)
Show SMILES Nc1ncc(Cc2cccc(Cl)c2)c(N)n1
Show InChI InChI=1S/C11H11ClN4/c12-9-3-1-2-7(5-9)4-8-6-15-11(14)16-10(8)13/h1-3,5-6H,4H2,(H4,13,14,15,16)
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224n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against dihydrofolate reductase (DHFR) from Escherichia coli (expressed as log 1/Kiapp)


J Med Chem 25: 777-84 (1982)


Article DOI: 10.1021/jm00349a003
BindingDB Entry DOI: 10.7270/Q2WH2S6T
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Lactobacillus casei)
BDBM50405973
PNG
(CHEMBL417095)
Show SMILES Nc1ncc(Cc2cccc(Cl)c2)c(N)n1
Show InChI InChI=1S/C11H11ClN4/c12-9-3-1-2-7(5-9)4-8-6-15-11(14)16-10(8)13/h1-3,5-6H,4H2,(H4,13,14,15,16)
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1.26E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against dihydrofolate reductase (DHFR) from Lactobacillus casei (expressed as log 1/Kiapp)


J Med Chem 25: 777-84 (1982)


Article DOI: 10.1021/jm00349a003
BindingDB Entry DOI: 10.7270/Q2WH2S6T
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Lactobacillus casei)
BDBM50405973
PNG
(CHEMBL417095)
Show SMILES Nc1ncc(Cc2cccc(Cl)c2)c(N)n1
Show InChI InChI=1S/C11H11ClN4/c12-9-3-1-2-7(5-9)4-8-6-15-11(14)16-10(8)13/h1-3,5-6H,4H2,(H4,13,14,15,16)
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1.26E+3n/an/an/an/an/an/an/an/a



Pomona College

Curated by ChEMBL


Assay Description
Inhibitory activity against Lactobacillus casei dihydrofolate reductase


J Med Chem 32: 1895-905 (1989)


Article DOI: 10.1021/jm00128a035
BindingDB Entry DOI: 10.7270/Q2QR4ZB9
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Bos taurus (Cattle))
BDBM50405973
PNG
(CHEMBL417095)
Show SMILES Nc1ncc(Cc2cccc(Cl)c2)c(N)n1
Show InChI InChI=1S/C11H11ClN4/c12-9-3-1-2-7(5-9)4-8-6-15-11(14)16-10(8)13/h1-3,5-6H,4H2,(H4,13,14,15,16)
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1.59E+3n/an/an/an/an/an/a7.2n/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine liver dihydrofolate reductase at pH 7.2.


J Med Chem 25: 435-40 (1982)


Article DOI: 10.1021/jm00346a020
BindingDB Entry DOI: 10.7270/Q2DF6TDD
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Bos taurus (Cattle))
BDBM50405973
PNG
(CHEMBL417095)
Show SMILES Nc1ncc(Cc2cccc(Cl)c2)c(N)n1
Show InChI InChI=1S/C11H11ClN4/c12-9-3-1-2-7(5-9)4-8-6-15-11(14)16-10(8)13/h1-3,5-6H,4H2,(H4,13,14,15,16)
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1.59E+3n/an/an/an/an/an/a7.2n/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine liver dihydrofolate reductase at pH 7.2.


J Med Chem 25: 435-40 (1982)


Article DOI: 10.1021/jm00346a020
BindingDB Entry DOI: 10.7270/Q2DF6TDD
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Bos taurus (Cattle))
BDBM50405973
PNG
(CHEMBL417095)
Show SMILES Nc1ncc(Cc2cccc(Cl)c2)c(N)n1
Show InChI InChI=1S/C11H11ClN4/c12-9-3-1-2-7(5-9)4-8-6-15-11(14)16-10(8)13/h1-3,5-6H,4H2,(H4,13,14,15,16)
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3.39E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of dihydrofolate reductase from bovine liver


J Med Chem 24: 538-44 (1981)


Article DOI: 10.1021/jm00137a012
BindingDB Entry DOI: 10.7270/Q2GF0WQM
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Gallus gallus (Chicken))
BDBM50405973
PNG
(CHEMBL417095)
Show SMILES Nc1ncc(Cc2cccc(Cl)c2)c(N)n1
Show InChI InChI=1S/C11H11ClN4/c12-9-3-1-2-7(5-9)4-8-6-15-11(14)16-10(8)13/h1-3,5-6H,4H2,(H4,13,14,15,16)
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9.77E+3n/an/an/an/an/an/a7.2n/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against chicken dihydrofolate reductase at pH 7.2.


J Med Chem 25: 435-40 (1982)


Article DOI: 10.1021/jm00346a020
BindingDB Entry DOI: 10.7270/Q2DF6TDD
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Gallus gallus (Chicken))
BDBM50405973
PNG
(CHEMBL417095)
Show SMILES Nc1ncc(Cc2cccc(Cl)c2)c(N)n1
Show InChI InChI=1S/C11H11ClN4/c12-9-3-1-2-7(5-9)4-8-6-15-11(14)16-10(8)13/h1-3,5-6H,4H2,(H4,13,14,15,16)
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9.77E+3n/an/an/an/an/an/a7.2n/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against chicken dihydrofolate reductase at pH 7.2.


J Med Chem 25: 435-40 (1982)


Article DOI: 10.1021/jm00346a020
BindingDB Entry DOI: 10.7270/Q2DF6TDD
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Gallus gallus (Chicken))
BDBM50405973
PNG
(CHEMBL417095)
Show SMILES Nc1ncc(Cc2cccc(Cl)c2)c(N)n1
Show InChI InChI=1S/C11H11ClN4/c12-9-3-1-2-7(5-9)4-8-6-15-11(14)16-10(8)13/h1-3,5-6H,4H2,(H4,13,14,15,16)
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9.77E+3n/an/an/an/an/an/an/an/a



Pomona College

Curated by ChEMBL


Assay Description
Inhibitory activity against chicken liver dihydrofolate reductase


J Med Chem 32: 1895-905 (1989)


Article DOI: 10.1021/jm00128a035
BindingDB Entry DOI: 10.7270/Q2QR4ZB9
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Escherichia coli)
BDBM50405973
PNG
(CHEMBL417095)
Show SMILES Nc1ncc(Cc2cccc(Cl)c2)c(N)n1
Show InChI InChI=1S/C11H11ClN4/c12-9-3-1-2-7(5-9)4-8-6-15-11(14)16-10(8)13/h1-3,5-6H,4H2,(H4,13,14,15,16)
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n/an/a 724n/an/an/an/an/an/a



University of Illinois at Chicago 60612

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of Escherichia coli Dihydrofolate reductase.


J Med Chem 39: 4825-32 (1996)

More data for this
Ligand-Target Pair