BDBM50401271 CHEMBL2203713::CHEMBL3216328

SMILES Cl.Cl.N=C(Nc1ccc2N(CCc2c1)C1CCNCC1)c1cccs1

InChI Key InChIKey=BLZNLOLTHDUEOL-UHFFFAOYSA-N

Data  16 IC50

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 16 hits for monomerid = 50401271   

TargetAlpha-2B adrenergic receptor(Homo sapiens (Human))
NeurAxon Inc

Curated by ChEMBL
LigandPNGBDBM50401271(CHEMBL2203713 | CHEMBL3216328)
Show SMILES Cl.Cl.N=C(Nc1ccc2N(CCc2c1)C1CCNCC1)c1cccs1
Show InChI InChI=1S/C18H22N4S/c19-18(17-2-1-11-23-17)21-14-3-4-16-13(12-14)7-10-22(16)15-5-8-20-9-6-15/h1-4,11-12,15,20H,5-10H2,(H2,19,21)
Affinity DataIC50: 3.20E+4nMAssay Description:Inhibition of alpha2B adrenergic receptorMore data for this Ligand-Target Pair
TargetNitric oxide synthase, brain(Homo sapiens (Human))
NeurAxon Inc

Curated by ChEMBL
LigandPNGBDBM50401271(CHEMBL2203713 | CHEMBL3216328)
Show SMILES Cl.Cl.N=C(Nc1ccc2N(CCc2c1)C1CCNCC1)c1cccs1
Show InChI InChI=1S/C18H22N4S/c19-18(17-2-1-11-23-17)21-14-3-4-16-13(12-14)7-10-22(16)15-5-8-20-9-6-15/h1-4,11-12,15,20H,5-10H2,(H2,19,21)
Affinity DataIC50: 110nMAssay Description:Inhibition of recombinant human nNOS expressed in baculovirus-infected Sf9 cells assessed as conversion of [3H]-larginine to [3H]-L-citrulline preinc...More data for this Ligand-Target Pair
TargetPotassium voltage-gated channel subfamily H member 2(Homo sapiens (Human))
NeurAxon Inc

Curated by ChEMBL
LigandPNGBDBM50401271(CHEMBL2203713 | CHEMBL3216328)
Show SMILES Cl.Cl.N=C(Nc1ccc2N(CCc2c1)C1CCNCC1)c1cccs1
Show InChI InChI=1S/C18H22N4S/c19-18(17-2-1-11-23-17)21-14-3-4-16-13(12-14)7-10-22(16)15-5-8-20-9-6-15/h1-4,11-12,15,20H,5-10H2,(H2,19,21)
Affinity DataIC50: 1.30E+4nMAssay Description:Displacement of [3H]astemizole from human recombinant ERG expressed in HEK293 cellsMore data for this Ligand-Target Pair
TargetNitric oxide synthase, brain(Homo sapiens (Human))
NeurAxon Inc

Curated by ChEMBL
LigandPNGBDBM50401271(CHEMBL2203713 | CHEMBL3216328)
Show SMILES Cl.Cl.N=C(Nc1ccc2N(CCc2c1)C1CCNCC1)c1cccs1
Show InChI InChI=1S/C18H22N4S/c19-18(17-2-1-11-23-17)21-14-3-4-16-13(12-14)7-10-22(16)15-5-8-20-9-6-15/h1-4,11-12,15,20H,5-10H2,(H2,19,21)
Affinity DataIC50: 750nMAssay Description:Inhibition of human CYP2D6More data for this Ligand-Target Pair
TargetNitric oxide synthase, brain(Homo sapiens (Human))
NeurAxon Inc

Curated by ChEMBL
LigandPNGBDBM50401271(CHEMBL2203713 | CHEMBL3216328)
Show SMILES Cl.Cl.N=C(Nc1ccc2N(CCc2c1)C1CCNCC1)c1cccs1
Show InChI InChI=1S/C18H22N4S/c19-18(17-2-1-11-23-17)21-14-3-4-16-13(12-14)7-10-22(16)15-5-8-20-9-6-15/h1-4,11-12,15,20H,5-10H2,(H2,19,21)
Affinity DataIC50: 2.20E+3nMAssay Description:Inhibition of 5HT1B receptorMore data for this Ligand-Target Pair
TargetNitric oxide synthase, brain(Homo sapiens (Human))
NeurAxon Inc

Curated by ChEMBL
LigandPNGBDBM50401271(CHEMBL2203713 | CHEMBL3216328)
Show SMILES Cl.Cl.N=C(Nc1ccc2N(CCc2c1)C1CCNCC1)c1cccs1
Show InChI InChI=1S/C18H22N4S/c19-18(17-2-1-11-23-17)21-14-3-4-16-13(12-14)7-10-22(16)15-5-8-20-9-6-15/h1-4,11-12,15,20H,5-10H2,(H2,19,21)
Affinity DataIC50: 4.50E+3nMAssay Description:Inhibition of muscarinic M3 receptorMore data for this Ligand-Target Pair
TargetNitric oxide synthase, brain(Homo sapiens (Human))
NeurAxon Inc

Curated by ChEMBL
LigandPNGBDBM50401271(CHEMBL2203713 | CHEMBL3216328)
Show SMILES Cl.Cl.N=C(Nc1ccc2N(CCc2c1)C1CCNCC1)c1cccs1
Show InChI InChI=1S/C18H22N4S/c19-18(17-2-1-11-23-17)21-14-3-4-16-13(12-14)7-10-22(16)15-5-8-20-9-6-15/h1-4,11-12,15,20H,5-10H2,(H2,19,21)
Affinity DataIC50: 3.60E+3nMAssay Description:Inhibition of muscarinic M2 receptorMore data for this Ligand-Target Pair
TargetNitric oxide synthase, brain(Homo sapiens (Human))
NeurAxon Inc

Curated by ChEMBL
LigandPNGBDBM50401271(CHEMBL2203713 | CHEMBL3216328)
Show SMILES Cl.Cl.N=C(Nc1ccc2N(CCc2c1)C1CCNCC1)c1cccs1
Show InChI InChI=1S/C18H22N4S/c19-18(17-2-1-11-23-17)21-14-3-4-16-13(12-14)7-10-22(16)15-5-8-20-9-6-15/h1-4,11-12,15,20H,5-10H2,(H2,19,21)
Affinity DataIC50: 8.60E+3nMAssay Description:Inhibition of muscarinic M1 receptorMore data for this Ligand-Target Pair
TargetNitric oxide synthase, brain(Homo sapiens (Human))
NeurAxon Inc

Curated by ChEMBL
LigandPNGBDBM50401271(CHEMBL2203713 | CHEMBL3216328)
Show SMILES Cl.Cl.N=C(Nc1ccc2N(CCc2c1)C1CCNCC1)c1cccs1
Show InChI InChI=1S/C18H22N4S/c19-18(17-2-1-11-23-17)21-14-3-4-16-13(12-14)7-10-22(16)15-5-8-20-9-6-15/h1-4,11-12,15,20H,5-10H2,(H2,19,21)
Affinity DataIC50: 1.10E+4nMAssay Description:Inhibition of alpha2C adrenergic receptorMore data for this Ligand-Target Pair
TargetNitric oxide synthase, brain(Homo sapiens (Human))
NeurAxon Inc

Curated by ChEMBL
LigandPNGBDBM50401271(CHEMBL2203713 | CHEMBL3216328)
Show SMILES Cl.Cl.N=C(Nc1ccc2N(CCc2c1)C1CCNCC1)c1cccs1
Show InChI InChI=1S/C18H22N4S/c19-18(17-2-1-11-23-17)21-14-3-4-16-13(12-14)7-10-22(16)15-5-8-20-9-6-15/h1-4,11-12,15,20H,5-10H2,(H2,19,21)
Affinity DataIC50: 2.40E+4nMAssay Description:Inhibition of alpha2A adrenergic receptorMore data for this Ligand-Target Pair
TargetNitric oxide synthase, brain(Homo sapiens (Human))
NeurAxon Inc

Curated by ChEMBL
LigandPNGBDBM50401271(CHEMBL2203713 | CHEMBL3216328)
Show SMILES Cl.Cl.N=C(Nc1ccc2N(CCc2c1)C1CCNCC1)c1cccs1
Show InChI InChI=1S/C18H22N4S/c19-18(17-2-1-11-23-17)21-14-3-4-16-13(12-14)7-10-22(16)15-5-8-20-9-6-15/h1-4,11-12,15,20H,5-10H2,(H2,19,21)
Affinity DataIC50: 2.20E+3nMAssay Description:Inhibition of alpha1D adrenergic receptorMore data for this Ligand-Target Pair
TargetNitric oxide synthase, brain(Homo sapiens (Human))
NeurAxon Inc

Curated by ChEMBL
LigandPNGBDBM50401271(CHEMBL2203713 | CHEMBL3216328)
Show SMILES Cl.Cl.N=C(Nc1ccc2N(CCc2c1)C1CCNCC1)c1cccs1
Show InChI InChI=1S/C18H22N4S/c19-18(17-2-1-11-23-17)21-14-3-4-16-13(12-14)7-10-22(16)15-5-8-20-9-6-15/h1-4,11-12,15,20H,5-10H2,(H2,19,21)
Affinity DataIC50: 1.80E+3nMAssay Description:Inhibition of alpha1B adrenergic receptorMore data for this Ligand-Target Pair
TargetNitric oxide synthase, brain(Homo sapiens (Human))
NeurAxon Inc

Curated by ChEMBL
LigandPNGBDBM50401271(CHEMBL2203713 | CHEMBL3216328)
Show SMILES Cl.Cl.N=C(Nc1ccc2N(CCc2c1)C1CCNCC1)c1cccs1
Show InChI InChI=1S/C18H22N4S/c19-18(17-2-1-11-23-17)21-14-3-4-16-13(12-14)7-10-22(16)15-5-8-20-9-6-15/h1-4,11-12,15,20H,5-10H2,(H2,19,21)
Affinity DataIC50: 1.90E+3nMAssay Description:Inhibition of alpha1A adrenergic receptorMore data for this Ligand-Target Pair
TargetNitric oxide synthase, endothelial(Homo sapiens (Human))
NeurAxon Inc

Curated by ChEMBL
LigandPNGBDBM50401271(CHEMBL2203713 | CHEMBL3216328)
Show SMILES Cl.Cl.N=C(Nc1ccc2N(CCc2c1)C1CCNCC1)c1cccs1
Show InChI InChI=1S/C18H22N4S/c19-18(17-2-1-11-23-17)21-14-3-4-16-13(12-14)7-10-22(16)15-5-8-20-9-6-15/h1-4,11-12,15,20H,5-10H2,(H2,19,21)
Affinity DataIC50: 4.15E+5nMAssay Description:Inhibition of recombinant human iNOS expressed in baculovirus-infected Sf9 cells assessed as conversion of [3H]-larginine to [3H]-L-citrulline preinc...More data for this Ligand-Target Pair
TargetNitric oxide synthase, inducible(Homo sapiens (Human))
NeurAxon Inc

Curated by ChEMBL
LigandPNGBDBM50401271(CHEMBL2203713 | CHEMBL3216328)
Show SMILES Cl.Cl.N=C(Nc1ccc2N(CCc2c1)C1CCNCC1)c1cccs1
Show InChI InChI=1S/C18H22N4S/c19-18(17-2-1-11-23-17)21-14-3-4-16-13(12-14)7-10-22(16)15-5-8-20-9-6-15/h1-4,11-12,15,20H,5-10H2,(H2,19,21)
Affinity DataIC50: 4.05E+4nMAssay Description:Inhibition of recombinant human eNOS expressed in baculovirus-infected Sf9 cells assessed as conversion of [3H]-larginine to [3H]-L-citrulline preinc...More data for this Ligand-Target Pair
TargetPotassium voltage-gated channel subfamily H member 2(Homo sapiens (Human))
NeurAxon Inc

Curated by ChEMBL
LigandPNGBDBM50401271(CHEMBL2203713 | CHEMBL3216328)
Show SMILES Cl.Cl.N=C(Nc1ccc2N(CCc2c1)C1CCNCC1)c1cccs1
Show InChI InChI=1S/C18H22N4S/c19-18(17-2-1-11-23-17)21-14-3-4-16-13(12-14)7-10-22(16)15-5-8-20-9-6-15/h1-4,11-12,15,20H,5-10H2,(H2,19,21)
Affinity DataIC50: 1.60E+5nMAssay Description:Displacement of [3H]astemizole from human recombinant ERG expressed in HEK293 cellsMore data for this Ligand-Target Pair