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BDBM50115162 6-(4-Chloro-phenyl)-4-piperidin-1-yl-5,6,7,8-tetrahydro-pteridin-2-ylamine::CHEMBL101879

SMILES: Nc1nc2NCC(Nc2c(n1)N1CCCCC1)c1ccc(Cl)cc1

InChI Key: InChIKey=VLFZJRDUEIBKCU-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50115162   
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
Nitric oxide synthase, brain


(Homo sapiens (Human))
BDBM50115162
PNG
(6-(4-Chloro-phenyl)-4-piperidin-1-yl-5,6,7,8-tetra...)
Show SMILES Nc1nc2NCC(Nc2c(n1)N1CCCCC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C17H21ClN6/c18-12-6-4-11(5-7-12)13-10-20-15-14(21-13)16(23-17(19)22-15)24-8-2-1-3-9-24/h4-7,13,21H,1-3,8-10H2,(H3,19,20,22,23)
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MMDB

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Article
PubMed
n/an/a 1.30E+4n/an/an/an/an/an/a



Aventis Pharma

Curated by ChEMBL


Assay Description
Inhibitory activity against human neuronal nitric oxide synthase (NOS-I)


J Med Chem 45: 2923-41 (2002)


Article DOI: 10.1021/jm020074g
BindingDB Entry DOI: 10.7270/Q2571BBK
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))
BDBM50115162
PNG
(6-(4-Chloro-phenyl)-4-piperidin-1-yl-5,6,7,8-tetra...)
Show SMILES Nc1nc2NCC(Nc2c(n1)N1CCCCC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C17H21ClN6/c18-12-6-4-11(5-7-12)13-10-20-15-14(21-13)16(23-17(19)22-15)24-8-2-1-3-9-24/h4-7,13,21H,1-3,8-10H2,(H3,19,20,22,23)
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PubMed
n/an/a 1.06E+4n/an/an/an/an/an/a



Sanofi-Aventis

Curated by ChEMBL


Assay Description
Inhibitory activity against human Nitric oxide synthase-I with 2 uM H4Bip for 30 min


J Med Chem 48: 4783-92 (2005)


Article DOI: 10.1021/jm050007x
BindingDB Entry DOI: 10.7270/Q28W3CTH
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Homo sapiens (Human))
BDBM50115162
PNG
(6-(4-Chloro-phenyl)-4-piperidin-1-yl-5,6,7,8-tetra...)
Show SMILES Nc1nc2NCC(Nc2c(n1)N1CCCCC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C17H21ClN6/c18-12-6-4-11(5-7-12)13-10-20-15-14(21-13)16(23-17(19)22-15)24-8-2-1-3-9-24/h4-7,13,21H,1-3,8-10H2,(H3,19,20,22,23)
PDB

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PC sid
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Article
PubMed
n/an/a 1.47E+4n/an/an/an/an/an/a



Sanofi-Aventis

Curated by ChEMBL


Assay Description
Inhibitory activity against human Nitric oxide synthase-III with 2 uM H4Bip for 30 min


J Med Chem 48: 4783-92 (2005)


Article DOI: 10.1021/jm050007x
BindingDB Entry DOI: 10.7270/Q28W3CTH
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))
BDBM50115162
PNG
(6-(4-Chloro-phenyl)-4-piperidin-1-yl-5,6,7,8-tetra...)
Show SMILES Nc1nc2NCC(Nc2c(n1)N1CCCCC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C17H21ClN6/c18-12-6-4-11(5-7-12)13-10-20-15-14(21-13)16(23-17(19)22-15)24-8-2-1-3-9-24/h4-7,13,21H,1-3,8-10H2,(H3,19,20,22,23)
PDB
MMDB

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PubMed
n/an/a 1.06E+5n/an/an/an/an/an/a



Sanofi-Aventis

Curated by ChEMBL


Assay Description
Inhibitory activity against human Nitric oxide synthase-II with 2 uM H4Bip for 30 min


J Med Chem 48: 4783-92 (2005)


Article DOI: 10.1021/jm050007x
BindingDB Entry DOI: 10.7270/Q28W3CTH
More data for this
Ligand-Target Pair