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PubMed code 21923116

Compile data set for download or QSAR
Found 40 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Nitric oxide synthase, brain


(Homo sapiens (Human))		BDBM50355311
PNG
(CHEMBL1835114)
Show SMILES CN1CCC(CC1)c1c[nH]c2cc(ccc12)N=C(N)c1cccs1 |w:16.18|
Show InChI InChI=1S/C19H22N4S/c1-23-8-6-13(7-9-23)16-12-21-17-11-14(4-5-15(16)17)22-19(20)18-3-2-10-24-18/h2-5,10-13,21H,6-9H2,1H3,(H2,20,22)
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n/an/a 120n/an/an/an/an/an/a



NeurAxon Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant nNOS expressed in Sf9 cells assessed as inhibition of conversion of [3H]-L-arginine to [3H]-L-citrulline after 45 min...

J Med Chem 54: 7408-16 (2011)


Article DOI: 10.1021/jm201063u
BindingDB Entry DOI: 10.7270/Q2JQ1201
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))		BDBM50355309
PNG
(CHEMBL1835013)
Show SMILES CN1CCC(C1)c1c[nH]c2cc(ccc12)N=C(N)c1cccs1 |w:15.17|
Show InChI InChI=1S/C18H20N4S/c1-22-7-6-12(11-22)15-10-20-16-9-13(4-5-14(15)16)21-18(19)17-3-2-8-23-17/h2-5,8-10,12,20H,6-7,11H2,1H3,(H2,19,21)
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n/an/a 200n/an/an/an/an/an/a



NeurAxon Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant nNOS expressed in Sf9 cells assessed as inhibition of conversion of [3H]-L-arginine to [3H]-L-citrulline after 45 min...

J Med Chem 54: 7408-16 (2011)


Article DOI: 10.1021/jm201063u
BindingDB Entry DOI: 10.7270/Q2JQ1201
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))		BDBM106736
PNG
(CHEMBL1823365 | US8586620, 138)
Show SMILES CN1CCC[C@@H]1CCn1ccc2ccc(cc12)N=C(N)c1cccs1 |r,w:17.19|
Show InChI InChI=1S/C20H24N4S/c1-23-10-2-4-17(23)9-12-24-11-8-15-6-7-16(14-18(15)24)22-20(21)19-5-3-13-25-19/h3,5-8,11,13-14,17H,2,4,9-10,12H2,1H3,(H2,21,22)/t17-/m1/s1
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n/an/a 320n/an/an/an/an/an/a



NeurAxon Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant nNOS expressed in Sf9 cells assessed as inhibition of conversion of [3H]-L-arginine to [3H]-L-citrulline after 45 min...

J Med Chem 54: 7408-16 (2011)


Article DOI: 10.1021/jm201063u
BindingDB Entry DOI: 10.7270/Q2JQ1201
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))		BDBM50355313
PNG
(CHEMBL1835116)
Show SMILES NC(=Nc1ccc2c(c[nH]c2c1)C1CN2CCC1CC2)c1cccs1 |w:2.2,TLB:7:12:16.15:18.19,(3.62,-8.6,;3.61,-10.14,;4.95,-10.91,;6.29,-10.14,;6.28,-8.61,;7.61,-7.84,;8.95,-8.61,;10.42,-8.14,;11.31,-9.4,;10.4,-10.64,;8.94,-10.15,;7.61,-10.92,;10.91,-6.69,;10.72,-5.3,;12.18,-4.66,;13.53,-5.26,;13.81,-6.67,;12.44,-6.03,;12.7,-4.13,;12.25,-3.02,;2.28,-10.9,;1.79,-12.37,;.25,-12.36,;-.22,-10.89,;1.03,-9.99,)|
Show InChI InChI=1S/C20H22N4S/c21-20(19-2-1-9-25-19)23-14-3-4-15-16(11-22-18(15)10-14)17-12-24-7-5-13(17)6-8-24/h1-4,9-11,13,17,22H,5-8,12H2,(H2,21,23)
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n/an/a 450n/an/an/an/an/an/a



NeurAxon Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant nNOS expressed in Sf9 cells assessed as inhibition of conversion of [3H]-L-arginine to [3H]-L-citrulline after 45 min...

J Med Chem 54: 7408-16 (2011)


Article DOI: 10.1021/jm201063u
BindingDB Entry DOI: 10.7270/Q2JQ1201
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))		BDBM50355313
PNG
(CHEMBL1835116)
Show SMILES NC(=Nc1ccc2c(c[nH]c2c1)C1CN2CCC1CC2)c1cccs1 |w:2.2,TLB:7:12:16.15:18.19,(3.62,-8.6,;3.61,-10.14,;4.95,-10.91,;6.29,-10.14,;6.28,-8.61,;7.61,-7.84,;8.95,-8.61,;10.42,-8.14,;11.31,-9.4,;10.4,-10.64,;8.94,-10.15,;7.61,-10.92,;10.91,-6.69,;10.72,-5.3,;12.18,-4.66,;13.53,-5.26,;13.81,-6.67,;12.44,-6.03,;12.7,-4.13,;12.25,-3.02,;2.28,-10.9,;1.79,-12.37,;.25,-12.36,;-.22,-10.89,;1.03,-9.99,)|
Show InChI InChI=1S/C20H22N4S/c21-20(19-2-1-9-25-19)23-14-3-4-15-16(11-22-18(15)10-14)17-12-24-7-5-13(17)6-8-24/h1-4,9-11,13,17,22H,5-8,12H2,(H2,21,23)
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n/an/a 530n/an/an/an/an/an/a



NeurAxon Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant nNOS expressed in Sf9 cells assessed as inhibition of conversion of [3H]-L-arginine to [3H]-L-citrulline after 45 min...

J Med Chem 54: 7408-16 (2011)


Article DOI: 10.1021/jm201063u
BindingDB Entry DOI: 10.7270/Q2JQ1201
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Homo sapiens (Human))		BDBM92900
PNG
(CHEMBL1835117 | L-Arginine, 2 | NMMA, 2)
Show SMILES CN=C(N)NCCC[C@H](N)C(O)=O |r,w:1.0|
Show InChI InChI=1S/C7H16N4O2/c1-10-7(9)11-4-2-3-5(8)6(12)13/h5H,2-4,8H2,1H3,(H,12,13)(H3,9,10,11)/t5-/m0/s1
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n/an/a 650n/an/an/an/an/an/a



NeurAxon Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant eNOS expressed in Sf9 cells assessed as inhibition of conversion of [3H]-L-arginine to [3H]-L-citrulline after 45 min...

J Med Chem 54: 7408-16 (2011)


Article DOI: 10.1021/jm201063u
BindingDB Entry DOI: 10.7270/Q2JQ1201
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Homo sapiens (Human))		BDBM50098937
PNG
((S)-methyl 2-amino-5-(amino(nitroamino)methyleneam...)
Show SMILES COC(=O)[C@@H](N)CCCNC(N)=N[N+]([O-])=O |r,w:12.12|
Show InChI InChI=1S/C7H15N5O4/c1-16-6(13)5(8)3-2-4-10-7(9)11-12(14)15/h5H,2-4,8H2,1H3,(H3,9,10,11)/t5-/m0/s1
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n/an/a 680n/an/an/an/an/an/a



NeurAxon Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant eNOS expressed in Sf9 cells assessed as inhibition of conversion of [3H]-L-arginine to [3H]-L-citrulline after 45 min...

J Med Chem 54: 7408-16 (2011)


Article DOI: 10.1021/jm201063u
BindingDB Entry DOI: 10.7270/Q2JQ1201
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))		BDBM50098937
PNG
((S)-methyl 2-amino-5-(amino(nitroamino)methyleneam...)
Show SMILES COC(=O)[C@@H](N)CCCNC(N)=N[N+]([O-])=O |r,w:12.12|
Show InChI InChI=1S/C7H15N5O4/c1-16-6(13)5(8)3-2-4-10-7(9)11-12(14)15/h5H,2-4,8H2,1H3,(H3,9,10,11)/t5-/m0/s1
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n/an/a 690n/an/an/an/an/an/a



NeurAxon Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant nNOS expressed in Sf9 cells assessed as inhibition of conversion of [3H]-L-arginine to [3H]-L-citrulline after 45 min...

J Med Chem 54: 7408-16 (2011)


Article DOI: 10.1021/jm201063u
BindingDB Entry DOI: 10.7270/Q2JQ1201
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))		BDBM50355310
PNG
(CHEMBL1835113)
Show SMILES CN1CCC(=CC1)c1c[nH]c2cc(ccc12)N=C(N)c1cccs1 |w:16.18,c:4|
Show InChI InChI=1S/C19H20N4S/c1-23-8-6-13(7-9-23)16-12-21-17-11-14(4-5-15(16)17)22-19(20)18-3-2-10-24-18/h2-6,10-12,21H,7-9H2,1H3,(H2,20,22)
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n/an/a 800n/an/an/an/an/an/a



NeurAxon Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant nNOS expressed in Sf9 cells assessed as inhibition of conversion of [3H]-L-arginine to [3H]-L-citrulline after 45 min...

J Med Chem 54: 7408-16 (2011)


Article DOI: 10.1021/jm201063u
BindingDB Entry DOI: 10.7270/Q2JQ1201
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))		BDBM50098937
PNG
((S)-methyl 2-amino-5-(amino(nitroamino)methyleneam...)
Show SMILES COC(=O)[C@@H](N)CCCNC(N)=N[N+]([O-])=O |r,w:12.12|
Show InChI InChI=1S/C7H15N5O4/c1-16-6(13)5(8)3-2-4-10-7(9)11-12(14)15/h5H,2-4,8H2,1H3,(H3,9,10,11)/t5-/m0/s1
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n/an/a 830n/an/an/an/an/an/a



NeurAxon Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant iNOS expressed in Sf9 cells assessed as inhibition of conversion of [3H]-L-arginine to [3H]-L-citrulline after 45 min...

J Med Chem 54: 7408-16 (2011)


Article DOI: 10.1021/jm201063u
BindingDB Entry DOI: 10.7270/Q2JQ1201
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))		BDBM92900
PNG
(CHEMBL1835117 | L-Arginine, 2 | NMMA, 2)
Show SMILES CN=C(N)NCCC[C@H](N)C(O)=O |r,w:1.0|
Show InChI InChI=1S/C7H16N4O2/c1-10-7(9)11-4-2-3-5(8)6(12)13/h5H,2-4,8H2,1H3,(H,12,13)(H3,9,10,11)/t5-/m0/s1
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n/an/a 950n/an/an/an/an/an/a



NeurAxon Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant nNOS expressed in Sf9 cells assessed as inhibition of conversion of [3H]-L-arginine to [3H]-L-citrulline after 45 min...

J Med Chem 54: 7408-16 (2011)


Article DOI: 10.1021/jm201063u
BindingDB Entry DOI: 10.7270/Q2JQ1201
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))		BDBM50355313
PNG
(CHEMBL1835116)
Show SMILES NC(=Nc1ccc2c(c[nH]c2c1)C1CN2CCC1CC2)c1cccs1 |w:2.2,TLB:7:12:16.15:18.19,(3.62,-8.6,;3.61,-10.14,;4.95,-10.91,;6.29,-10.14,;6.28,-8.61,;7.61,-7.84,;8.95,-8.61,;10.42,-8.14,;11.31,-9.4,;10.4,-10.64,;8.94,-10.15,;7.61,-10.92,;10.91,-6.69,;10.72,-5.3,;12.18,-4.66,;13.53,-5.26,;13.81,-6.67,;12.44,-6.03,;12.7,-4.13,;12.25,-3.02,;2.28,-10.9,;1.79,-12.37,;.25,-12.36,;-.22,-10.89,;1.03,-9.99,)|
Show InChI InChI=1S/C20H22N4S/c21-20(19-2-1-9-25-19)23-14-3-4-15-16(11-22-18(15)10-14)17-12-24-7-5-13(17)6-8-24/h1-4,9-11,13,17,22H,5-8,12H2,(H2,21,23)
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n/an/a 1.23E+3n/an/an/an/an/an/a



NeurAxon Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant nNOS expressed in Sf9 cells assessed as inhibition of conversion of [3H]-L-arginine to [3H]-L-citrulline after 45 min...

J Med Chem 54: 7408-16 (2011)


Article DOI: 10.1021/jm201063u
BindingDB Entry DOI: 10.7270/Q2JQ1201
More data for this
Ligand-Target Pair
Nitric oxide synthase, brain


(Homo sapiens (Human))		BDBM50355312
PNG
(CHEMBL1835115)
Show SMILES NC(=Nc1ccc2c(c[nH]c2c1)C1=CN2CCC1CC2)c1cccs1 |w:2.2,t:14,TLB:7:12:16.15:18.19,(3.98,-16.46,;3.98,-18,;5.31,-18.77,;6.65,-18.01,;6.64,-16.48,;7.97,-15.7,;9.31,-16.48,;10.78,-16.01,;11.68,-17.26,;10.76,-18.5,;9.3,-18.02,;7.98,-18.78,;11.27,-14.55,;11.08,-13.17,;12.55,-12.53,;13.89,-13.13,;14.18,-14.53,;12.81,-13.9,;13.06,-12,;12.62,-10.89,;2.64,-18.77,;2.16,-20.23,;.61,-20.23,;.14,-18.76,;1.39,-17.85,)|
Show InChI InChI=1S/C20H20N4S/c21-20(19-2-1-9-25-19)23-14-3-4-15-16(11-22-18(15)10-14)17-12-24-7-5-13(17)6-8-24/h1-4,9-13,22H,5-8H2,(H2,21,23)
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n/an/a 1.50E+3n/an/an/an/an/an/a



NeurAxon Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant nNOS expressed in Sf9 cells assessed as inhibition of conversion of [3H]-L-arginine to [3H]-L-citrulline after 45 min...

J Med Chem 54: 7408-16 (2011)


Article DOI: 10.1021/jm201063u
BindingDB Entry DOI: 10.7270/Q2JQ1201
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))		BDBM92900
PNG
(CHEMBL1835117 | L-Arginine, 2 | NMMA, 2)
Show SMILES CN=C(N)NCCC[C@H](N)C(O)=O |r,w:1.0|
Show InChI InChI=1S/C7H16N4O2/c1-10-7(9)11-4-2-3-5(8)6(12)13/h5H,2-4,8H2,1H3,(H,12,13)(H3,9,10,11)/t5-/m0/s1
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n/an/a 1.80E+3n/an/an/an/an/an/a



NeurAxon Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant iNOS expressed in Sf9 cells assessed as inhibition of conversion of [3H]-L-arginine to [3H]-L-citrulline after 45 min...

J Med Chem 54: 7408-16 (2011)


Article DOI: 10.1021/jm201063u
BindingDB Entry DOI: 10.7270/Q2JQ1201
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))		BDBM50355309
PNG
(CHEMBL1835013)
Show SMILES CN1CCC(C1)c1c[nH]c2cc(ccc12)N=C(N)c1cccs1 |w:15.17|
Show InChI InChI=1S/C18H20N4S/c1-22-7-6-12(11-22)15-10-20-16-9-13(4-5-14(15)16)21-18(19)17-3-2-8-23-17/h2-5,8-10,12,20H,6-7,11H2,1H3,(H2,19,21)
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n/an/a 2.60E+3n/an/an/an/an/an/a



NeurAxon Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant iNOS expressed in Sf9 cells assessed as inhibition of conversion of [3H]-L-arginine to [3H]-L-citrulline after 45 min...

J Med Chem 54: 7408-16 (2011)


Article DOI: 10.1021/jm201063u
BindingDB Entry DOI: 10.7270/Q2JQ1201
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Homo sapiens (Human))		BDBM50355309
PNG
(CHEMBL1835013)
Show SMILES CN1CCC(C1)c1c[nH]c2cc(ccc12)N=C(N)c1cccs1 |w:15.17|
Show InChI InChI=1S/C18H20N4S/c1-22-7-6-12(11-22)15-10-20-16-9-13(4-5-14(15)16)21-18(19)17-3-2-8-23-17/h2-5,8-10,12,20H,6-7,11H2,1H3,(H2,19,21)
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n/an/a 7.10E+3n/an/an/an/an/an/a



NeurAxon Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant eNOS expressed in Sf9 cells assessed as inhibition of conversion of [3H]-L-arginine to [3H]-L-citrulline after 45 min...

J Med Chem 54: 7408-16 (2011)


Article DOI: 10.1021/jm201063u
BindingDB Entry DOI: 10.7270/Q2JQ1201
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))		BDBM50355312
PNG
(CHEMBL1835115)
Show SMILES NC(=Nc1ccc2c(c[nH]c2c1)C1=CN2CCC1CC2)c1cccs1 |w:2.2,t:14,TLB:7:12:16.15:18.19,(3.98,-16.46,;3.98,-18,;5.31,-18.77,;6.65,-18.01,;6.64,-16.48,;7.97,-15.7,;9.31,-16.48,;10.78,-16.01,;11.68,-17.26,;10.76,-18.5,;9.3,-18.02,;7.98,-18.78,;11.27,-14.55,;11.08,-13.17,;12.55,-12.53,;13.89,-13.13,;14.18,-14.53,;12.81,-13.9,;13.06,-12,;12.62,-10.89,;2.64,-18.77,;2.16,-20.23,;.61,-20.23,;.14,-18.76,;1.39,-17.85,)|
Show InChI InChI=1S/C20H20N4S/c21-20(19-2-1-9-25-19)23-14-3-4-15-16(11-22-18(15)10-14)17-12-24-7-5-13(17)6-8-24/h1-4,9-13,22H,5-8H2,(H2,21,23)
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n/an/a 8.40E+3n/an/an/an/an/an/a



NeurAxon Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant iNOS expressed in Sf9 cells assessed as inhibition of conversion of [3H]-L-arginine to [3H]-L-citrulline after 45 min...

J Med Chem 54: 7408-16 (2011)


Article DOI: 10.1021/jm201063u
BindingDB Entry DOI: 10.7270/Q2JQ1201
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))		BDBM50355311
PNG
(CHEMBL1835114)
Show SMILES CN1CCC(CC1)c1c[nH]c2cc(ccc12)N=C(N)c1cccs1 |w:16.18|
Show InChI InChI=1S/C19H22N4S/c1-23-8-6-13(7-9-23)16-12-21-17-11-14(4-5-15(16)17)22-19(20)18-3-2-10-24-18/h2-5,10-13,21H,6-9H2,1H3,(H2,20,22)
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n/an/a 9.30E+3n/an/an/an/an/an/a



NeurAxon Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant iNOS expressed in Sf9 cells assessed as inhibition of conversion of [3H]-L-arginine to [3H]-L-citrulline after 45 min...

J Med Chem 54: 7408-16 (2011)


Article DOI: 10.1021/jm201063u
BindingDB Entry DOI: 10.7270/Q2JQ1201
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Homo sapiens (Human))		BDBM50355311
PNG
(CHEMBL1835114)
Show SMILES CN1CCC(CC1)c1c[nH]c2cc(ccc12)N=C(N)c1cccs1 |w:16.18|
Show InChI InChI=1S/C19H22N4S/c1-23-8-6-13(7-9-23)16-12-21-17-11-14(4-5-15(16)17)22-19(20)18-3-2-10-24-18/h2-5,10-13,21H,6-9H2,1H3,(H2,20,22)
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n/an/a 1.07E+4n/an/an/an/an/an/a



NeurAxon Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant eNOS expressed in Sf9 cells assessed as inhibition of conversion of [3H]-L-arginine to [3H]-L-citrulline after 45 min...

J Med Chem 54: 7408-16 (2011)


Article DOI: 10.1021/jm201063u
BindingDB Entry DOI: 10.7270/Q2JQ1201
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))		BDBM50355310
PNG
(CHEMBL1835113)
Show SMILES CN1CCC(=CC1)c1c[nH]c2cc(ccc12)N=C(N)c1cccs1 |w:16.18,c:4|
Show InChI InChI=1S/C19H20N4S/c1-23-8-6-13(7-9-23)16-12-21-17-11-14(4-5-15(16)17)22-19(20)18-3-2-10-24-18/h2-6,10-12,21H,7-9H2,1H3,(H2,20,22)
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n/an/a 1.23E+4n/an/an/an/an/an/a



NeurAxon Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant iNOS expressed in Sf9 cells assessed as inhibition of conversion of [3H]-L-arginine to [3H]-L-citrulline after 45 min...

J Med Chem 54: 7408-16 (2011)


Article DOI: 10.1021/jm201063u
BindingDB Entry DOI: 10.7270/Q2JQ1201
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Homo sapiens (Human))		BDBM106736
PNG
(CHEMBL1823365 | US8586620, 138)
Show SMILES CN1CCC[C@@H]1CCn1ccc2ccc(cc12)N=C(N)c1cccs1 |r,w:17.19|
Show InChI InChI=1S/C20H24N4S/c1-23-10-2-4-17(23)9-12-24-11-8-15-6-7-16(14-18(15)24)22-20(21)19-5-3-13-25-19/h3,5-8,11,13-14,17H,2,4,9-10,12H2,1H3,(H2,21,22)/t17-/m1/s1
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n/an/a 1.60E+4n/an/an/an/an/an/a



NeurAxon Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant eNOS expressed in Sf9 cells assessed as inhibition of conversion of [3H]-L-arginine to [3H]-L-citrulline after 45 min...

J Med Chem 54: 7408-16 (2011)


Article DOI: 10.1021/jm201063u
BindingDB Entry DOI: 10.7270/Q2JQ1201
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))		BDBM50355313
PNG
(CHEMBL1835116)
Show SMILES NC(=Nc1ccc2c(c[nH]c2c1)C1CN2CCC1CC2)c1cccs1 |w:2.2,TLB:7:12:16.15:18.19,(3.62,-8.6,;3.61,-10.14,;4.95,-10.91,;6.29,-10.14,;6.28,-8.61,;7.61,-7.84,;8.95,-8.61,;10.42,-8.14,;11.31,-9.4,;10.4,-10.64,;8.94,-10.15,;7.61,-10.92,;10.91,-6.69,;10.72,-5.3,;12.18,-4.66,;13.53,-5.26,;13.81,-6.67,;12.44,-6.03,;12.7,-4.13,;12.25,-3.02,;2.28,-10.9,;1.79,-12.37,;.25,-12.36,;-.22,-10.89,;1.03,-9.99,)|
Show InChI InChI=1S/C20H22N4S/c21-20(19-2-1-9-25-19)23-14-3-4-15-16(11-22-18(15)10-14)17-12-24-7-5-13(17)6-8-24/h1-4,9-11,13,17,22H,5-8,12H2,(H2,21,23)
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n/an/a 1.84E+4n/an/an/an/an/an/a



NeurAxon Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant iNOS expressed in Sf9 cells assessed as inhibition of conversion of [3H]-L-arginine to [3H]-L-citrulline after 45 min...

J Med Chem 54: 7408-16 (2011)


Article DOI: 10.1021/jm201063u
BindingDB Entry DOI: 10.7270/Q2JQ1201
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Homo sapiens (Human))		BDBM50355313
PNG
(CHEMBL1835116)
Show SMILES NC(=Nc1ccc2c(c[nH]c2c1)C1CN2CCC1CC2)c1cccs1 |w:2.2,TLB:7:12:16.15:18.19,(3.62,-8.6,;3.61,-10.14,;4.95,-10.91,;6.29,-10.14,;6.28,-8.61,;7.61,-7.84,;8.95,-8.61,;10.42,-8.14,;11.31,-9.4,;10.4,-10.64,;8.94,-10.15,;7.61,-10.92,;10.91,-6.69,;10.72,-5.3,;12.18,-4.66,;13.53,-5.26,;13.81,-6.67,;12.44,-6.03,;12.7,-4.13,;12.25,-3.02,;2.28,-10.9,;1.79,-12.37,;.25,-12.36,;-.22,-10.89,;1.03,-9.99,)|
Show InChI InChI=1S/C20H22N4S/c21-20(19-2-1-9-25-19)23-14-3-4-15-16(11-22-18(15)10-14)17-12-24-7-5-13(17)6-8-24/h1-4,9-11,13,17,22H,5-8,12H2,(H2,21,23)
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n/an/a 2.33E+4n/an/an/an/an/an/a



NeurAxon Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant eNOS expressed in Sf9 cells assessed as inhibition of conversion of [3H]-L-arginine to [3H]-L-citrulline after 45 min...

J Med Chem 54: 7408-16 (2011)


Article DOI: 10.1021/jm201063u
BindingDB Entry DOI: 10.7270/Q2JQ1201
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Homo sapiens (Human))		BDBM50355310
PNG
(CHEMBL1835113)
Show SMILES CN1CCC(=CC1)c1c[nH]c2cc(ccc12)N=C(N)c1cccs1 |w:16.18,c:4|
Show InChI InChI=1S/C19H20N4S/c1-23-8-6-13(7-9-23)16-12-21-17-11-14(4-5-15(16)17)22-19(20)18-3-2-10-24-18/h2-6,10-12,21H,7-9H2,1H3,(H2,20,22)
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n/an/a 2.65E+4n/an/an/an/an/an/a



NeurAxon Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant eNOS expressed in Sf9 cells assessed as inhibition of conversion of [3H]-L-arginine to [3H]-L-citrulline after 45 min...

J Med Chem 54: 7408-16 (2011)


Article DOI: 10.1021/jm201063u
BindingDB Entry DOI: 10.7270/Q2JQ1201
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Homo sapiens (Human))		BDBM50355313
PNG
(CHEMBL1835116)
Show SMILES NC(=Nc1ccc2c(c[nH]c2c1)C1CN2CCC1CC2)c1cccs1 |w:2.2,TLB:7:12:16.15:18.19,(3.62,-8.6,;3.61,-10.14,;4.95,-10.91,;6.29,-10.14,;6.28,-8.61,;7.61,-7.84,;8.95,-8.61,;10.42,-8.14,;11.31,-9.4,;10.4,-10.64,;8.94,-10.15,;7.61,-10.92,;10.91,-6.69,;10.72,-5.3,;12.18,-4.66,;13.53,-5.26,;13.81,-6.67,;12.44,-6.03,;12.7,-4.13,;12.25,-3.02,;2.28,-10.9,;1.79,-12.37,;.25,-12.36,;-.22,-10.89,;1.03,-9.99,)|
Show InChI InChI=1S/C20H22N4S/c21-20(19-2-1-9-25-19)23-14-3-4-15-16(11-22-18(15)10-14)17-12-24-7-5-13(17)6-8-24/h1-4,9-11,13,17,22H,5-8,12H2,(H2,21,23)
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n/an/a 3.33E+4n/an/an/an/an/an/a



NeurAxon Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant eNOS expressed in Sf9 cells assessed as inhibition of conversion of [3H]-L-arginine to [3H]-L-citrulline after 45 min...

J Med Chem 54: 7408-16 (2011)


Article DOI: 10.1021/jm201063u
BindingDB Entry DOI: 10.7270/Q2JQ1201
More data for this
Ligand-Target Pair
Cytochrome P450 2C19


(Homo sapiens (Human))		BDBM50355310
PNG
(CHEMBL1835113)
Show SMILES CN1CCC(=CC1)c1c[nH]c2cc(ccc12)N=C(N)c1cccs1 |w:16.18,c:4|
Show InChI InChI=1S/C19H20N4S/c1-23-8-6-13(7-9-23)16-12-21-17-11-14(4-5-15(16)17)22-19(20)18-3-2-10-24-18/h2-6,10-12,21H,7-9H2,1H3,(H2,20,22)
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n/an/a 4.01E+4n/an/an/an/an/an/a



NeurAxon Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP2C19 using CEC as substrate

J Med Chem 54: 7408-16 (2011)


Article DOI: 10.1021/jm201063u
BindingDB Entry DOI: 10.7270/Q2JQ1201
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Homo sapiens (Human))		BDBM50355313
PNG
(CHEMBL1835116)
Show SMILES NC(=Nc1ccc2c(c[nH]c2c1)C1CN2CCC1CC2)c1cccs1 |w:2.2,TLB:7:12:16.15:18.19,(3.62,-8.6,;3.61,-10.14,;4.95,-10.91,;6.29,-10.14,;6.28,-8.61,;7.61,-7.84,;8.95,-8.61,;10.42,-8.14,;11.31,-9.4,;10.4,-10.64,;8.94,-10.15,;7.61,-10.92,;10.91,-6.69,;10.72,-5.3,;12.18,-4.66,;13.53,-5.26,;13.81,-6.67,;12.44,-6.03,;12.7,-4.13,;12.25,-3.02,;2.28,-10.9,;1.79,-12.37,;.25,-12.36,;-.22,-10.89,;1.03,-9.99,)|
Show InChI InChI=1S/C20H22N4S/c21-20(19-2-1-9-25-19)23-14-3-4-15-16(11-22-18(15)10-14)17-12-24-7-5-13(17)6-8-24/h1-4,9-11,13,17,22H,5-8,12H2,(H2,21,23)
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n/an/a 4.06E+4n/an/an/an/an/an/a



NeurAxon Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant eNOS expressed in Sf9 cells assessed as inhibition of conversion of [3H]-L-arginine to [3H]-L-citrulline after 45 min...

J Med Chem 54: 7408-16 (2011)


Article DOI: 10.1021/jm201063u
BindingDB Entry DOI: 10.7270/Q2JQ1201
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Homo sapiens (Human))		BDBM50355312
PNG
(CHEMBL1835115)
Show SMILES NC(=Nc1ccc2c(c[nH]c2c1)C1=CN2CCC1CC2)c1cccs1 |w:2.2,t:14,TLB:7:12:16.15:18.19,(3.98,-16.46,;3.98,-18,;5.31,-18.77,;6.65,-18.01,;6.64,-16.48,;7.97,-15.7,;9.31,-16.48,;10.78,-16.01,;11.68,-17.26,;10.76,-18.5,;9.3,-18.02,;7.98,-18.78,;11.27,-14.55,;11.08,-13.17,;12.55,-12.53,;13.89,-13.13,;14.18,-14.53,;12.81,-13.9,;13.06,-12,;12.62,-10.89,;2.64,-18.77,;2.16,-20.23,;.61,-20.23,;.14,-18.76,;1.39,-17.85,)|
Show InChI InChI=1S/C20H20N4S/c21-20(19-2-1-9-25-19)23-14-3-4-15-16(11-22-18(15)10-14)17-12-24-7-5-13(17)6-8-24/h1-4,9-13,22H,5-8H2,(H2,21,23)
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n/an/a 4.62E+4n/an/an/an/an/an/a



NeurAxon Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant eNOS expressed in Sf9 cells assessed as inhibition of conversion of [3H]-L-arginine to [3H]-L-citrulline after 45 min...

J Med Chem 54: 7408-16 (2011)


Article DOI: 10.1021/jm201063u
BindingDB Entry DOI: 10.7270/Q2JQ1201
More data for this
Ligand-Target Pair
Cytochrome P450 2C19


(Homo sapiens (Human))		BDBM50355313
PNG
(CHEMBL1835116)
Show SMILES NC(=Nc1ccc2c(c[nH]c2c1)C1CN2CCC1CC2)c1cccs1 |w:2.2,TLB:7:12:16.15:18.19,(3.62,-8.6,;3.61,-10.14,;4.95,-10.91,;6.29,-10.14,;6.28,-8.61,;7.61,-7.84,;8.95,-8.61,;10.42,-8.14,;11.31,-9.4,;10.4,-10.64,;8.94,-10.15,;7.61,-10.92,;10.91,-6.69,;10.72,-5.3,;12.18,-4.66,;13.53,-5.26,;13.81,-6.67,;12.44,-6.03,;12.7,-4.13,;12.25,-3.02,;2.28,-10.9,;1.79,-12.37,;.25,-12.36,;-.22,-10.89,;1.03,-9.99,)|
Show InChI InChI=1S/C20H22N4S/c21-20(19-2-1-9-25-19)23-14-3-4-15-16(11-22-18(15)10-14)17-12-24-7-5-13(17)6-8-24/h1-4,9-11,13,17,22H,5-8,12H2,(H2,21,23)
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n/an/a 4.96E+4n/an/an/an/an/an/a



NeurAxon Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP2C19 using CEC as substrate

J Med Chem 54: 7408-16 (2011)


Article DOI: 10.1021/jm201063u
BindingDB Entry DOI: 10.7270/Q2JQ1201
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))		BDBM50355313
PNG
(CHEMBL1835116)
Show SMILES NC(=Nc1ccc2c(c[nH]c2c1)C1CN2CCC1CC2)c1cccs1 |w:2.2,TLB:7:12:16.15:18.19,(3.62,-8.6,;3.61,-10.14,;4.95,-10.91,;6.29,-10.14,;6.28,-8.61,;7.61,-7.84,;8.95,-8.61,;10.42,-8.14,;11.31,-9.4,;10.4,-10.64,;8.94,-10.15,;7.61,-10.92,;10.91,-6.69,;10.72,-5.3,;12.18,-4.66,;13.53,-5.26,;13.81,-6.67,;12.44,-6.03,;12.7,-4.13,;12.25,-3.02,;2.28,-10.9,;1.79,-12.37,;.25,-12.36,;-.22,-10.89,;1.03,-9.99,)|
Show InChI InChI=1S/C20H22N4S/c21-20(19-2-1-9-25-19)23-14-3-4-15-16(11-22-18(15)10-14)17-12-24-7-5-13(17)6-8-24/h1-4,9-11,13,17,22H,5-8,12H2,(H2,21,23)
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n/an/a 5.21E+4n/an/an/an/an/an/a



NeurAxon Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant iNOS expressed in Sf9 cells assessed as inhibition of conversion of [3H]-L-arginine to [3H]-L-citrulline after 45 min...

J Med Chem 54: 7408-16 (2011)


Article DOI: 10.1021/jm201063u
BindingDB Entry DOI: 10.7270/Q2JQ1201
More data for this
Ligand-Target Pair
Cytochrome P450 2D6


(Homo sapiens (Human))		BDBM50355310
PNG
(CHEMBL1835113)
Show SMILES CN1CCC(=CC1)c1c[nH]c2cc(ccc12)N=C(N)c1cccs1 |w:16.18,c:4|
Show InChI InChI=1S/C19H20N4S/c1-23-8-6-13(7-9-23)16-12-21-17-11-14(4-5-15(16)17)22-19(20)18-3-2-10-24-18/h2-6,10-12,21H,7-9H2,1H3,(H2,20,22)
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n/an/a 6.32E+4n/an/an/an/an/an/a



NeurAxon Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6 using AMMC as substrate

J Med Chem 54: 7408-16 (2011)


Article DOI: 10.1021/jm201063u
BindingDB Entry DOI: 10.7270/Q2JQ1201
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))		BDBM106736
PNG
(CHEMBL1823365 | US8586620, 138)
Show SMILES CN1CCC[C@@H]1CCn1ccc2ccc(cc12)N=C(N)c1cccs1 |r,w:17.19|
Show InChI InChI=1S/C20H24N4S/c1-23-10-2-4-17(23)9-12-24-11-8-15-6-7-16(14-18(15)24)22-20(21)19-5-3-13-25-19/h3,5-8,11,13-14,17H,2,4,9-10,12H2,1H3,(H2,21,22)/t17-/m1/s1
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n/an/a 7.20E+4n/an/an/an/an/an/a



NeurAxon Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant iNOS expressed in Sf9 cells assessed as inhibition of conversion of [3H]-L-arginine to [3H]-L-citrulline after 45 min...

J Med Chem 54: 7408-16 (2011)


Article DOI: 10.1021/jm201063u
BindingDB Entry DOI: 10.7270/Q2JQ1201
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))		BDBM50355310
PNG
(CHEMBL1835113)
Show SMILES CN1CCC(=CC1)c1c[nH]c2cc(ccc12)N=C(N)c1cccs1 |w:16.18,c:4|
Show InChI InChI=1S/C19H20N4S/c1-23-8-6-13(7-9-23)16-12-21-17-11-14(4-5-15(16)17)22-19(20)18-3-2-10-24-18/h2-6,10-12,21H,7-9H2,1H3,(H2,20,22)
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n/an/a 7.27E+4n/an/an/an/an/an/a



NeurAxon Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9 using MFC as substrate

J Med Chem 54: 7408-16 (2011)


Article DOI: 10.1021/jm201063u
BindingDB Entry DOI: 10.7270/Q2JQ1201
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))		BDBM50355310
PNG
(CHEMBL1835113)
Show SMILES CN1CCC(=CC1)c1c[nH]c2cc(ccc12)N=C(N)c1cccs1 |w:16.18,c:4|
Show InChI InChI=1S/C19H20N4S/c1-23-8-6-13(7-9-23)16-12-21-17-11-14(4-5-15(16)17)22-19(20)18-3-2-10-24-18/h2-6,10-12,21H,7-9H2,1H3,(H2,20,22)
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n/an/a 7.48E+4n/an/an/an/an/an/a



NeurAxon Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 using BFC as substrate

J Med Chem 54: 7408-16 (2011)


Article DOI: 10.1021/jm201063u
BindingDB Entry DOI: 10.7270/Q2JQ1201
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))		BDBM50355313
PNG
(CHEMBL1835116)
Show SMILES NC(=Nc1ccc2c(c[nH]c2c1)C1CN2CCC1CC2)c1cccs1 |w:2.2,TLB:7:12:16.15:18.19,(3.62,-8.6,;3.61,-10.14,;4.95,-10.91,;6.29,-10.14,;6.28,-8.61,;7.61,-7.84,;8.95,-8.61,;10.42,-8.14,;11.31,-9.4,;10.4,-10.64,;8.94,-10.15,;7.61,-10.92,;10.91,-6.69,;10.72,-5.3,;12.18,-4.66,;13.53,-5.26,;13.81,-6.67,;12.44,-6.03,;12.7,-4.13,;12.25,-3.02,;2.28,-10.9,;1.79,-12.37,;.25,-12.36,;-.22,-10.89,;1.03,-9.99,)|
Show InChI InChI=1S/C20H22N4S/c21-20(19-2-1-9-25-19)23-14-3-4-15-16(11-22-18(15)10-14)17-12-24-7-5-13(17)6-8-24/h1-4,9-11,13,17,22H,5-8,12H2,(H2,21,23)
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n/an/a 1.00E+5n/an/an/an/an/an/a



NeurAxon Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 using BFC as substrate

J Med Chem 54: 7408-16 (2011)


Article DOI: 10.1021/jm201063u
BindingDB Entry DOI: 10.7270/Q2JQ1201
More data for this
Ligand-Target Pair
Cytochrome P450 1A2


(Homo sapiens (Human))		BDBM50355310
PNG
(CHEMBL1835113)
Show SMILES CN1CCC(=CC1)c1c[nH]c2cc(ccc12)N=C(N)c1cccs1 |w:16.18,c:4|
Show InChI InChI=1S/C19H20N4S/c1-23-8-6-13(7-9-23)16-12-21-17-11-14(4-5-15(16)17)22-19(20)18-3-2-10-24-18/h2-6,10-12,21H,7-9H2,1H3,(H2,20,22)
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n/an/a>1.00E+5n/an/an/an/an/an/a



NeurAxon Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP1A2 using CEC as substrate

J Med Chem 54: 7408-16 (2011)


Article DOI: 10.1021/jm201063u
BindingDB Entry DOI: 10.7270/Q2JQ1201
More data for this
Ligand-Target Pair
Cytochrome P450 2D6


(Homo sapiens (Human))		BDBM50355313
PNG
(CHEMBL1835116)
Show SMILES NC(=Nc1ccc2c(c[nH]c2c1)C1CN2CCC1CC2)c1cccs1 |w:2.2,TLB:7:12:16.15:18.19,(3.62,-8.6,;3.61,-10.14,;4.95,-10.91,;6.29,-10.14,;6.28,-8.61,;7.61,-7.84,;8.95,-8.61,;10.42,-8.14,;11.31,-9.4,;10.4,-10.64,;8.94,-10.15,;7.61,-10.92,;10.91,-6.69,;10.72,-5.3,;12.18,-4.66,;13.53,-5.26,;13.81,-6.67,;12.44,-6.03,;12.7,-4.13,;12.25,-3.02,;2.28,-10.9,;1.79,-12.37,;.25,-12.36,;-.22,-10.89,;1.03,-9.99,)|
Show InChI InChI=1S/C20H22N4S/c21-20(19-2-1-9-25-19)23-14-3-4-15-16(11-22-18(15)10-14)17-12-24-7-5-13(17)6-8-24/h1-4,9-11,13,17,22H,5-8,12H2,(H2,21,23)
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n/an/a>1.00E+5n/an/an/an/an/an/a



NeurAxon Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6 using AMMC as substrate

J Med Chem 54: 7408-16 (2011)


Article DOI: 10.1021/jm201063u
BindingDB Entry DOI: 10.7270/Q2JQ1201
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))		BDBM50355310
PNG
(CHEMBL1835113)
Show SMILES CN1CCC(=CC1)c1c[nH]c2cc(ccc12)N=C(N)c1cccs1 |w:16.18,c:4|
Show InChI InChI=1S/C19H20N4S/c1-23-8-6-13(7-9-23)16-12-21-17-11-14(4-5-15(16)17)22-19(20)18-3-2-10-24-18/h2-6,10-12,21H,7-9H2,1H3,(H2,20,22)
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n/an/a>1.00E+5n/an/an/an/an/an/a



NeurAxon Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 using BQ as substrate

J Med Chem 54: 7408-16 (2011)


Article DOI: 10.1021/jm201063u
BindingDB Entry DOI: 10.7270/Q2JQ1201
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))		BDBM50355313
PNG
(CHEMBL1835116)
Show SMILES NC(=Nc1ccc2c(c[nH]c2c1)C1CN2CCC1CC2)c1cccs1 |w:2.2,TLB:7:12:16.15:18.19,(3.62,-8.6,;3.61,-10.14,;4.95,-10.91,;6.29,-10.14,;6.28,-8.61,;7.61,-7.84,;8.95,-8.61,;10.42,-8.14,;11.31,-9.4,;10.4,-10.64,;8.94,-10.15,;7.61,-10.92,;10.91,-6.69,;10.72,-5.3,;12.18,-4.66,;13.53,-5.26,;13.81,-6.67,;12.44,-6.03,;12.7,-4.13,;12.25,-3.02,;2.28,-10.9,;1.79,-12.37,;.25,-12.36,;-.22,-10.89,;1.03,-9.99,)|
Show InChI InChI=1S/C20H22N4S/c21-20(19-2-1-9-25-19)23-14-3-4-15-16(11-22-18(15)10-14)17-12-24-7-5-13(17)6-8-24/h1-4,9-11,13,17,22H,5-8,12H2,(H2,21,23)
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n/an/a>1.00E+5n/an/an/an/an/an/a



NeurAxon Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 using BQ as substrate

J Med Chem 54: 7408-16 (2011)


Article DOI: 10.1021/jm201063u
BindingDB Entry DOI: 10.7270/Q2JQ1201
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))		BDBM50355313
PNG
(CHEMBL1835116)
Show SMILES NC(=Nc1ccc2c(c[nH]c2c1)C1CN2CCC1CC2)c1cccs1 |w:2.2,TLB:7:12:16.15:18.19,(3.62,-8.6,;3.61,-10.14,;4.95,-10.91,;6.29,-10.14,;6.28,-8.61,;7.61,-7.84,;8.95,-8.61,;10.42,-8.14,;11.31,-9.4,;10.4,-10.64,;8.94,-10.15,;7.61,-10.92,;10.91,-6.69,;10.72,-5.3,;12.18,-4.66,;13.53,-5.26,;13.81,-6.67,;12.44,-6.03,;12.7,-4.13,;12.25,-3.02,;2.28,-10.9,;1.79,-12.37,;.25,-12.36,;-.22,-10.89,;1.03,-9.99,)|
Show InChI InChI=1S/C20H22N4S/c21-20(19-2-1-9-25-19)23-14-3-4-15-16(11-22-18(15)10-14)17-12-24-7-5-13(17)6-8-24/h1-4,9-11,13,17,22H,5-8,12H2,(H2,21,23)
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n/an/a 1.39E+5n/an/an/an/an/an/a



NeurAxon Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant iNOS expressed in Sf9 cells assessed as inhibition of conversion of [3H]-L-arginine to [3H]-L-citrulline after 45 min...

J Med Chem 54: 7408-16 (2011)


Article DOI: 10.1021/jm201063u
BindingDB Entry DOI: 10.7270/Q2JQ1201
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%