Found 13 hits for monomerid = 50355313 Target/Host (Institution) | Ligand | Target/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 | pH | Temp °C |
Nitric oxide synthase, brain
(Homo sapiens (Human)) | BDBM50355313
![PNG](/data/jpeg/tenK5035/BindingDB_50355313.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) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.23E+3 | n/a | n/a | n/a | n/a | n/a | n/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](/data/jpeg/tenK5035/BindingDB_50355313.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) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 450 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50355313
![PNG](/data/jpeg/tenK5035/BindingDB_50355313.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) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 3.33E+4 | n/a | n/a | n/a | n/a | n/a | n/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](/data/jpeg/tenK5035/BindingDB_50355313.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) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 4.06E+4 | n/a | n/a | n/a | n/a | n/a | n/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](/data/jpeg/tenK5035/BindingDB_50355313.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) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.84E+4 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50355313
![PNG](/data/jpeg/tenK5035/BindingDB_50355313.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) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.39E+5 | n/a | n/a | n/a | n/a | n/a | n/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 3A4
(Homo sapiens (Human)) | BDBM50355313
![PNG](/data/jpeg/tenK5035/BindingDB_50355313.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) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/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, endothelial
(Homo sapiens (Human)) | BDBM50355313
![PNG](/data/jpeg/tenK5035/BindingDB_50355313.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) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2.33E+4 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50355313
![PNG](/data/jpeg/tenK5035/BindingDB_50355313.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) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 530 | n/a | n/a | n/a | n/a | n/a | n/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 | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50355313
![PNG](/data/jpeg/tenK5035/BindingDB_50355313.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) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 4.96E+4 | n/a | n/a | n/a | n/a | n/a | n/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 | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50355313
![PNG](/data/jpeg/tenK5035/BindingDB_50355313.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) | PDB
UniProtKB/SwissProt UniProtKB/TrEMBL
GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50355313
![PNG](/data/jpeg/tenK5035/BindingDB_50355313.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) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/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 | |
Nitric oxide synthase, inducible
(Homo sapiens (Human)) | BDBM50355313
![PNG](/data/jpeg/tenK5035/BindingDB_50355313.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) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 5.21E+4 | n/a | n/a | n/a | n/a | n/a | n/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 | |