Found 34 hits of ic50 data for polymerid = 50004928 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, endothelial
(Rattus norvegicus) | BDBM50209245
(CHEMBL247378)Show InChI InChI=1S/C7H5N3O2/c11-10(12)6-3-1-2-5-4-8-9-7(5)6/h1-4H,(H,8,9) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet 
| Purchase
CHEMBL
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
| PDB
Article
PubMed
| n/a | n/a | 700 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Hradec Kralove
Curated by ChEMBL
| Assay Description
Inhibition of nNOS in Wistar rat cortical homogenates incubated for 30 mins |
Eur J Med Chem 168: 491-514 (2019)
Article DOI: 10.1016/j.ejmech.2019.02.021
BindingDB Entry DOI: 10.7270/Q2RV0S3X |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Nitric oxide synthase, endothelial
(Rattus norvegicus) | BDBM50206065
(CHEMBL233655 | N-{2-[1-(3-methoxy-benzyl)-piperidi...)Show SMILES COc1cccc(CN2CCC(CC2)Nc2nc3ccc(cc3s2)N=C(N)c2cccs2)c1 |w:24.26| Show InChI InChI=1S/C25H27N5OS2/c1-31-20-5-2-4-17(14-20)16-30-11-9-18(10-12-30)28-25-29-21-8-7-19(15-23(21)33-25)27-24(26)22-6-3-13-32-22/h2-8,13-15,18H,9-12,16H2,1H3,(H2,26,27)(H,28,29) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
NeurAxon Inc.
Curated by ChEMBL
| Assay Description
Inhibition of rat endothelial NOS activity |
Bioorg Med Chem Lett 17: 2540-4 (2007)
Article DOI: 10.1016/j.bmcl.2007.02.011
BindingDB Entry DOI: 10.7270/Q2WM1F6B |
More data for this
Ligand-Target Pair | |
Nitric oxide synthase, endothelial
(Rattus norvegicus) | BDBM8963
(CHEMBL32823 | Homodimeric Tacrine Analog 3b | N-[7...)Show SMILES C(CCCNc1c2CCCCc2nc2ccccc12)CCCNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C33H40N4/c1(2-12-22-34-32-24-14-4-8-18-28(24)36-29-19-9-5-15-25(29)32)3-13-23-35-33-26-16-6-10-20-30(26)37-31-21-11-7-17-27(31)33/h4,6,8,10,14,16,18,20H,1-3,5,7,9,11-13,15,17,19,21-23H2,(H,34,36)(H,35,37) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Hradec Kralove
Curated by ChEMBL
| Assay Description
Inhibition of nNOS in Wistar rat cortical homogenates incubated for 30 mins |
Eur J Med Chem 168: 491-514 (2019)
Article DOI: 10.1016/j.ejmech.2019.02.021
BindingDB Entry DOI: 10.7270/Q2RV0S3X |
More data for this
Ligand-Target Pair | |
Nitric oxide synthase, endothelial
(Rattus norvegicus) | BDBM50206073
(CHEMBL233652 | N-[2-(2-pyridin-2-yl-ethylamino)-be...)Show SMILES NC(=Nc1ccc2nc(NCCc3ccccn3)sc2c1)c1cccs1 |w:2.2| Show InChI InChI=1S/C19H17N5S2/c20-18(16-5-3-11-25-16)23-14-6-7-15-17(12-14)26-19(24-15)22-10-8-13-4-1-2-9-21-13/h1-7,9,11-12H,8,10H2,(H2,20,23)(H,22,24) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 3.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
NeurAxon Inc.
Curated by ChEMBL
| Assay Description
Inhibition of rat endothelial NOS activity |
Bioorg Med Chem Lett 17: 2540-4 (2007)
Article DOI: 10.1016/j.bmcl.2007.02.011
BindingDB Entry DOI: 10.7270/Q2WM1F6B |
More data for this
Ligand-Target Pair | |
Nitric oxide synthase, endothelial
(Rattus norvegicus) | BDBM50523390
(CHEMBL4584061)Show InChI InChI=1S/C8H18N4O2.C2H4O2/c1-11-8(10)12-5-3-4-6(9)7(13)14-2;1-2(3)4/h6H,3-5,9H2,1-2H3,(H3,10,11,12);1H3,(H,3,4)/t6-;/m0./s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 4.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Hradec Kralove
Curated by ChEMBL
| Assay Description
Inhibition of nNOS in Wistar rat cortical homogenates incubated for 30 mins |
Eur J Med Chem 168: 491-514 (2019)
Article DOI: 10.1016/j.ejmech.2019.02.021
BindingDB Entry DOI: 10.7270/Q2RV0S3X |
More data for this
Ligand-Target Pair | |
Nitric oxide synthase, endothelial
(Rattus norvegicus) | BDBM50365330
(CHEMBL1956107)Show SMILES CN[C@H]1CC[C@H](CC1)N1CCc2ccc(cc12)N=C(N)c1cccs1 |r,w:17.19,wD:5.8,2.1,(9.98,-4.84,;11.31,-4.07,;11.31,-2.53,;12.65,-1.76,;12.65,-.21,;11.31,.55,;9.98,-.22,;9.98,-1.76,;11.32,2.09,;12.23,3.35,;11.32,4.6,;9.84,4.12,;8.51,4.88,;7.18,4.11,;7.18,2.57,;8.51,1.8,;9.84,2.57,;5.84,1.8,;4.51,2.57,;4.51,4.11,;3.18,1.8,;1.77,2.44,;.74,1.29,;1.51,-.04,;3.02,.28,)| Show InChI InChI=1S/C20H26N4S/c1-22-15-6-8-17(9-7-15)24-11-10-14-4-5-16(13-18(14)24)23-20(21)19-3-2-12-25-19/h2-5,12-13,15,17,22H,6-11H2,1H3,(H2,21,23)/t15-,17+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.16E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
NeurAxon Inc.
Curated by ChEMBL
| Assay Description
Inhibition of rat recombinant eNOS expressed in baculovirus infected insect Sf9 cells assessed as conversion of [3H]L-arginine to [3H]L-citrulline in... |
J Med Chem 55: 943-55 (2012)
Article DOI: 10.1021/jm201564u
BindingDB Entry DOI: 10.7270/Q20P10HM |
More data for this
Ligand-Target Pair | |
Nitric oxide synthase, endothelial
(Rattus norvegicus) | BDBM50206066
(CHEMBL233653 | N-(2-{1-[2-(3H-imidazol-4-yl)-ethyl...)Show SMILES NC(=Nc1ccc2nc(NC3CCN(CCc4cnc[nH]4)CC3)sc2c1)c1cccs1 |w:2.2| Show InChI InChI=1S/C22H25N7S2/c23-21(19-2-1-11-30-19)26-16-3-4-18-20(12-16)31-22(28-18)27-15-5-8-29(9-6-15)10-7-17-13-24-14-25-17/h1-4,11-15H,5-10H2,(H2,23,26)(H,24,25)(H,27,28) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
NeurAxon Inc.
Curated by ChEMBL
| Assay Description
Inhibition of rat endothelial NOS activity |
Bioorg Med Chem Lett 17: 2540-4 (2007)
Article DOI: 10.1016/j.bmcl.2007.02.011
BindingDB Entry DOI: 10.7270/Q2WM1F6B |
More data for this
Ligand-Target Pair | |
Nitric oxide synthase, endothelial
(Rattus norvegicus) | BDBM50206068
(CHEMBL233654 | N-(2-{1-[2-(4-Bromo-phenyl)-ethyl]-...)Show SMILES NC(=Nc1ccc2nc(NC3CCN(CCc4ccc(Br)cc4)CC3)sc2c1)c1cccs1 |w:2.2| Show InChI InChI=1S/C25H26BrN5S2/c26-18-5-3-17(4-6-18)9-12-31-13-10-19(11-14-31)29-25-30-21-8-7-20(16-23(21)33-25)28-24(27)22-2-1-15-32-22/h1-8,15-16,19H,9-14H2,(H2,27,28)(H,29,30) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
NeurAxon Inc.
Curated by ChEMBL
| Assay Description
Inhibition of rat endothelial NOS activity |
Bioorg Med Chem Lett 17: 2540-4 (2007)
Article DOI: 10.1016/j.bmcl.2007.02.011
BindingDB Entry DOI: 10.7270/Q2WM1F6B |
More data for this
Ligand-Target Pair | |
Nitric oxide synthase, endothelial
(Rattus norvegicus) | BDBM50206070
(CHEMBL412797 | N-[2-(2-morpholin-4-yl-ethylamino)-...)Show SMILES NC(=Nc1ccc2nc(NCCN3CCOCC3)sc2c1)c1cccs1 |w:2.2| Show InChI InChI=1S/C18H21N5OS2/c19-17(15-2-1-11-25-15)21-13-3-4-14-16(12-13)26-18(22-14)20-5-6-23-7-9-24-10-8-23/h1-4,11-12H,5-10H2,(H2,19,21)(H,20,22) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 9.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
NeurAxon Inc.
Curated by ChEMBL
| Assay Description
Inhibition of rat endothelial NOS activity |
Bioorg Med Chem Lett 17: 2540-4 (2007)
Article DOI: 10.1016/j.bmcl.2007.02.011
BindingDB Entry DOI: 10.7270/Q2WM1F6B |
More data for this
Ligand-Target Pair | |
Nitric oxide synthase, endothelial
(Rattus norvegicus) | BDBM50206064
(CHEMBL233857 | N-[2-(1-benzyl-piperidin-4-ylamino)...)Show SMILES NC(=Nc1ccc2nc(NC3CCN(Cc4ccccc4)CC3)sc2c1)c1cccs1 |w:2.2| Show InChI InChI=1S/C24H25N5S2/c25-23(21-7-4-14-30-21)26-19-8-9-20-22(15-19)31-24(28-20)27-18-10-12-29(13-11-18)16-17-5-2-1-3-6-17/h1-9,14-15,18H,10-13,16H2,(H2,25,26)(H,27,28) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.25E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
NeurAxon Inc.
Curated by ChEMBL
| Assay Description
Inhibition of rat endothelial NOS activity |
Bioorg Med Chem Lett 17: 2540-4 (2007)
Article DOI: 10.1016/j.bmcl.2007.02.011
BindingDB Entry DOI: 10.7270/Q2WM1F6B |
More data for this
Ligand-Target Pair | |
Nitric oxide synthase, endothelial
(Rattus norvegicus) | BDBM50523384
(CHEMBL4459416)Show SMILES Cl.Cl.N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCCCNc1c2CCCCc2nc2ccccc12 |r| Show InChI InChI=1S/C28H33N5O.2ClH/c29-23(17-19-18-32-24-12-4-1-9-20(19)24)28(34)31-16-8-7-15-30-27-21-10-2-5-13-25(21)33-26-14-6-3-11-22(26)27;;/h1-2,4-5,9-10,12-13,18,23,32H,3,6-8,11,14-17,29H2,(H,30,33)(H,31,34);2*1H/t23-;;/m0../s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.80E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Hradec Kralove
Curated by ChEMBL
| Assay Description
Inhibition of nNOS in Wistar rat cortical homogenates incubated for 30 mins |
Eur J Med Chem 168: 491-514 (2019)
Article DOI: 10.1016/j.ejmech.2019.02.021
BindingDB Entry DOI: 10.7270/Q2RV0S3X |
More data for this
Ligand-Target Pair | |
Nitric oxide synthase, endothelial
(Rattus norvegicus) | BDBM50523372
(CHEMBL4538398)Show SMILES Cl.Cl.COc1ccc2nc3CCCCc3c(NCCNC(=O)[C@@H](N)Cc3c[nH]c4ccccc34)c2c1 |r| Show InChI InChI=1S/C27H31N5O2.2ClH/c1-34-18-10-11-25-21(15-18)26(20-7-3-5-9-24(20)32-25)29-12-13-30-27(33)22(28)14-17-16-31-23-8-4-2-6-19(17)23;;/h2,4,6,8,10-11,15-16,22,31H,3,5,7,9,12-14,28H2,1H3,(H,29,32)(H,30,33);2*1H/t22-;;/m0../s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.90E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Hradec Kralove
Curated by ChEMBL
| Assay Description
Inhibition of nNOS in Wistar rat cortical homogenates incubated for 30 mins |
Eur J Med Chem 168: 491-514 (2019)
Article DOI: 10.1016/j.ejmech.2019.02.021
BindingDB Entry DOI: 10.7270/Q2RV0S3X |
More data for this
Ligand-Target Pair | |
Nitric oxide synthase, endothelial
(Rattus norvegicus) | BDBM50523391
(CHEMBL4449083)Show SMILES Cl.Cl.N[C@H](Cc1c[nH]c2ccccc12)C(=O)NCCCCCCNc1c2CCCCc2nc2cc(Cl)ccc12 |r| Show InChI InChI=1S/C30H36ClN5O.2ClH/c31-21-13-14-24-28(18-21)36-27-12-6-4-10-23(27)29(24)33-15-7-1-2-8-16-34-30(37)25(32)17-20-19-35-26-11-5-3-9-22(20)26;;/h3,5,9,11,13-14,18-19,25,35H,1-2,4,6-8,10,12,15-17,32H2,(H,33,36)(H,34,37);2*1H/t25-;;/m1../s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.60E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Hradec Kralove
Curated by ChEMBL
| Assay Description
Inhibition of nNOS in Wistar rat cortical homogenates incubated for 30 mins |
Eur J Med Chem 168: 491-514 (2019)
Article DOI: 10.1016/j.ejmech.2019.02.021
BindingDB Entry DOI: 10.7270/Q2RV0S3X |
More data for this
Ligand-Target Pair | |
Nitric oxide synthase, endothelial
(Rattus norvegicus) | BDBM50523373
(CHEMBL4552440)Show SMILES Cl.Cl.N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCCCNc1c2CCCCc2nc2cc(Cl)ccc12 |r| Show InChI InChI=1S/C28H32ClN5O.2ClH/c29-19-11-12-22-26(16-19)34-25-10-4-2-8-21(25)27(22)31-13-5-6-14-32-28(35)23(30)15-18-17-33-24-9-3-1-7-20(18)24;;/h1,3,7,9,11-12,16-17,23,33H,2,4-6,8,10,13-15,30H2,(H,31,34)(H,32,35);2*1H/t23-;;/m0../s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.60E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Hradec Kralove
Curated by ChEMBL
| Assay Description
Inhibition of nNOS in Wistar rat cortical homogenates incubated for 30 mins |
Eur J Med Chem 168: 491-514 (2019)
Article DOI: 10.1016/j.ejmech.2019.02.021
BindingDB Entry DOI: 10.7270/Q2RV0S3X |
More data for this
Ligand-Target Pair | |
Nitric oxide synthase, endothelial
(Rattus norvegicus) | BDBM50523374
(CHEMBL4472570)Show SMILES Cl.Cl.COc1ccc2nc3CCCCc3c(NCCCCCNC(=O)[C@@H](N)Cc3c[nH]c4ccccc34)c2c1 |r| Show InChI InChI=1S/C30H37N5O2.2ClH/c1-37-21-13-14-28-24(18-21)29(23-10-4-6-12-27(23)35-28)32-15-7-2-8-16-33-30(36)25(31)17-20-19-34-26-11-5-3-9-22(20)26;;/h3,5,9,11,13-14,18-19,25,34H,2,4,6-8,10,12,15-17,31H2,1H3,(H,32,35)(H,33,36);2*1H/t25-;;/m0../s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.60E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Hradec Kralove
Curated by ChEMBL
| Assay Description
Inhibition of nNOS in Wistar rat cortical homogenates incubated for 30 mins |
Eur J Med Chem 168: 491-514 (2019)
Article DOI: 10.1016/j.ejmech.2019.02.021
BindingDB Entry DOI: 10.7270/Q2RV0S3X |
More data for this
Ligand-Target Pair | |
Nitric oxide synthase, endothelial
(Rattus norvegicus) | BDBM50523380
(CHEMBL4586157)Show SMILES Cl.Cl.COc1ccc2nc3CCCCc3c(NCCCCCCCNC(=O)[C@@H](N)Cc3c[nH]c4ccccc34)c2c1 |r| Show InChI InChI=1S/C32H41N5O2.2ClH/c1-39-23-15-16-30-26(20-23)31(25-12-6-8-14-29(25)37-30)34-17-9-3-2-4-10-18-35-32(38)27(33)19-22-21-36-28-13-7-5-11-24(22)28;;/h5,7,11,13,15-16,20-21,27,36H,2-4,6,8-10,12,14,17-19,33H2,1H3,(H,34,37)(H,35,38);2*1H/t27-;;/m0../s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.60E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Hradec Kralove
Curated by ChEMBL
| Assay Description
Inhibition of nNOS in Wistar rat cortical homogenates incubated for 30 mins |
Eur J Med Chem 168: 491-514 (2019)
Article DOI: 10.1016/j.ejmech.2019.02.021
BindingDB Entry DOI: 10.7270/Q2RV0S3X |
More data for this
Ligand-Target Pair | |
Nitric oxide synthase, endothelial
(Rattus norvegicus) | BDBM50523388
(CHEMBL4556575)Show SMILES Cl.Cl.N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCCCCNc1c2CCCCc2nc2ccccc12 |r| Show InChI InChI=1S/C29H35N5O.2ClH/c30-24(18-20-19-33-25-13-5-2-10-21(20)25)29(35)32-17-9-1-8-16-31-28-22-11-3-6-14-26(22)34-27-15-7-4-12-23(27)28;;/h2-3,5-6,10-11,13-14,19,24,33H,1,4,7-9,12,15-18,30H2,(H,31,34)(H,32,35);2*1H/t24-;;/m0../s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.60E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Hradec Kralove
Curated by ChEMBL
| Assay Description
Inhibition of nNOS in Wistar rat cortical homogenates incubated for 30 mins |
Eur J Med Chem 168: 491-514 (2019)
Article DOI: 10.1016/j.ejmech.2019.02.021
BindingDB Entry DOI: 10.7270/Q2RV0S3X |
More data for this
Ligand-Target Pair | |
Nitric oxide synthase, endothelial
(Rattus norvegicus) | BDBM50523387
(CHEMBL4556281)Show SMILES Cl.Cl.N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCCCCCNc1c2CCCCc2nc2cc(Cl)ccc12 |r| Show InChI InChI=1S/C30H36ClN5O.2ClH/c31-21-13-14-24-28(18-21)36-27-12-6-4-10-23(27)29(24)33-15-7-1-2-8-16-34-30(37)25(32)17-20-19-35-26-11-5-3-9-22(20)26;;/h3,5,9,11,13-14,18-19,25,35H,1-2,4,6-8,10,12,15-17,32H2,(H,33,36)(H,34,37);2*1H/t25-;;/m0../s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.60E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Hradec Kralove
Curated by ChEMBL
| Assay Description
Inhibition of nNOS in Wistar rat cortical homogenates incubated for 30 mins |
Eur J Med Chem 168: 491-514 (2019)
Article DOI: 10.1016/j.ejmech.2019.02.021
BindingDB Entry DOI: 10.7270/Q2RV0S3X |
More data for this
Ligand-Target Pair | |
Nitric oxide synthase, endothelial
(Rattus norvegicus) | BDBM50523382
(CHEMBL4563209)Show SMILES Cl.Cl.N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCCCCNc1c2CCCCc2nc2cc(Cl)ccc12 |r| Show InChI InChI=1S/C29H34ClN5O.2ClH/c30-20-12-13-23-27(17-20)35-26-11-5-3-9-22(26)28(23)32-14-6-1-7-15-33-29(36)24(31)16-19-18-34-25-10-4-2-8-21(19)25;;/h2,4,8,10,12-13,17-18,24,34H,1,3,5-7,9,11,14-16,31H2,(H,32,35)(H,33,36);2*1H/t24-;;/m0../s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.70E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Hradec Kralove
Curated by ChEMBL
| Assay Description
Inhibition of nNOS in Wistar rat cortical homogenates incubated for 30 mins |
Eur J Med Chem 168: 491-514 (2019)
Article DOI: 10.1016/j.ejmech.2019.02.021
BindingDB Entry DOI: 10.7270/Q2RV0S3X |
More data for this
Ligand-Target Pair | |
Nitric oxide synthase, endothelial
(Rattus norvegicus) | BDBM50523375
(CHEMBL4555818)Show SMILES Cl.Cl.N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCCCCCCNc1c2CCCCc2nc2cc(Cl)ccc12 |r| Show InChI InChI=1S/C31H38ClN5O.2ClH/c32-22-14-15-25-29(19-22)37-28-13-7-5-11-24(28)30(25)34-16-8-2-1-3-9-17-35-31(38)26(33)18-21-20-36-27-12-6-4-10-23(21)27;;/h4,6,10,12,14-15,19-20,26,36H,1-3,5,7-9,11,13,16-18,33H2,(H,34,37)(H,35,38);2*1H/t26-;;/m0../s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.70E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Hradec Kralove
Curated by ChEMBL
| Assay Description
Inhibition of nNOS in Wistar rat cortical homogenates incubated for 30 mins |
Eur J Med Chem 168: 491-514 (2019)
Article DOI: 10.1016/j.ejmech.2019.02.021
BindingDB Entry DOI: 10.7270/Q2RV0S3X |
More data for this
Ligand-Target Pair | |
Nitric oxide synthase, endothelial
(Rattus norvegicus) | BDBM50523385
(CHEMBL4475391)Show SMILES Cl.Cl.COc1ccc2nc3CCCCc3c(NCCCCNC(=O)[C@@H](N)Cc3c[nH]c4ccccc34)c2c1 |r| Show InChI InChI=1S/C29H35N5O2.2ClH/c1-36-20-12-13-27-23(17-20)28(22-9-3-5-11-26(22)34-27)31-14-6-7-15-32-29(35)24(30)16-19-18-33-25-10-4-2-8-21(19)25;;/h2,4,8,10,12-13,17-18,24,33H,3,5-7,9,11,14-16,30H2,1H3,(H,31,34)(H,32,35);2*1H/t24-;;/m0../s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.70E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Hradec Kralove
Curated by ChEMBL
| Assay Description
Inhibition of nNOS in Wistar rat cortical homogenates incubated for 30 mins |
Eur J Med Chem 168: 491-514 (2019)
Article DOI: 10.1016/j.ejmech.2019.02.021
BindingDB Entry DOI: 10.7270/Q2RV0S3X |
More data for this
Ligand-Target Pair | |
Nitric oxide synthase, endothelial
(Rattus norvegicus) | BDBM50523379
(CHEMBL4467355)Show SMILES Cl.Cl.COc1ccc2nc3CCCCc3c(NCCCCCCNC(=O)[C@@H](N)Cc3c[nH]c4ccccc34)c2c1 |r| Show InChI InChI=1S/C31H39N5O2.2ClH/c1-38-22-14-15-29-25(19-22)30(24-11-5-7-13-28(24)36-29)33-16-8-2-3-9-17-34-31(37)26(32)18-21-20-35-27-12-6-4-10-23(21)27;;/h4,6,10,12,14-15,19-20,26,35H,2-3,5,7-9,11,13,16-18,32H2,1H3,(H,33,36)(H,34,37);2*1H/t26-;;/m0../s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.70E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Hradec Kralove
Curated by ChEMBL
| Assay Description
Inhibition of nNOS in Wistar rat cortical homogenates incubated for 30 mins |
Eur J Med Chem 168: 491-514 (2019)
Article DOI: 10.1016/j.ejmech.2019.02.021
BindingDB Entry DOI: 10.7270/Q2RV0S3X |
More data for this
Ligand-Target Pair | |
Nitric oxide synthase, endothelial
(Rattus norvegicus) | BDBM50523378
(CHEMBL4556372)Show SMILES Cl.Cl.COc1ccc2nc3CCCCc3c(NCCCNC(=O)[C@@H](N)Cc3c[nH]c4ccccc34)c2c1 |r| Show InChI InChI=1S/C28H33N5O2.2ClH/c1-35-19-11-12-26-22(16-19)27(21-8-3-5-10-25(21)33-26)30-13-6-14-31-28(34)23(29)15-18-17-32-24-9-4-2-7-20(18)24;;/h2,4,7,9,11-12,16-17,23,32H,3,5-6,8,10,13-15,29H2,1H3,(H,30,33)(H,31,34);2*1H/t23-;;/m0../s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Hradec Kralove
Curated by ChEMBL
| Assay Description
Inhibition of nNOS in Wistar rat cortical homogenates incubated for 30 mins |
Eur J Med Chem 168: 491-514 (2019)
Article DOI: 10.1016/j.ejmech.2019.02.021
BindingDB Entry DOI: 10.7270/Q2RV0S3X |
More data for this
Ligand-Target Pair | |
Nitric oxide synthase, endothelial
(Rattus norvegicus) | BDBM50523386
(CHEMBL4541558)Show SMILES Cl.Cl.N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCCNc1c2CCCCc2nc2cc(Cl)ccc12 |r| Show InChI InChI=1S/C27H30ClN5O.2ClH/c28-18-10-11-21-25(15-18)33-24-9-4-2-7-20(24)26(21)30-12-5-13-31-27(34)22(29)14-17-16-32-23-8-3-1-6-19(17)23;;/h1,3,6,8,10-11,15-16,22,32H,2,4-5,7,9,12-14,29H2,(H,30,33)(H,31,34);2*1H/t22-;;/m0../s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Hradec Kralove
Curated by ChEMBL
| Assay Description
Inhibition of nNOS in Wistar rat cortical homogenates incubated for 30 mins |
Eur J Med Chem 168: 491-514 (2019)
Article DOI: 10.1016/j.ejmech.2019.02.021
BindingDB Entry DOI: 10.7270/Q2RV0S3X |
More data for this
Ligand-Target Pair | |
Nitric oxide synthase, endothelial
(Rattus norvegicus) | BDBM50523383
(CHEMBL4438120)Show SMILES Cl.Cl.N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCCNc1c2CCCCc2nc2ccccc12 |r| Show InChI InChI=1S/C27H31N5O.2ClH/c28-22(16-18-17-31-23-11-4-1-8-19(18)23)27(33)30-15-7-14-29-26-20-9-2-5-12-24(20)32-25-13-6-3-10-21(25)26;;/h1-2,4-5,8-9,11-12,17,22,31H,3,6-7,10,13-16,28H2,(H,29,32)(H,30,33);2*1H/t22-;;/m0../s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Hradec Kralove
Curated by ChEMBL
| Assay Description
Inhibition of nNOS in Wistar rat cortical homogenates incubated for 30 mins |
Eur J Med Chem 168: 491-514 (2019)
Article DOI: 10.1016/j.ejmech.2019.02.021
BindingDB Entry DOI: 10.7270/Q2RV0S3X |
More data for this
Ligand-Target Pair | |
Nitric oxide synthase, endothelial
(Rattus norvegicus) | BDBM50523389
(CHEMBL4559477)Show SMILES Cl.Cl.N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCCCCCCNc1c2CCCCc2nc2ccccc12 |r| Show InChI InChI=1S/C31H39N5O.2ClH/c32-26(20-22-21-35-27-15-7-4-12-23(22)27)31(37)34-19-11-3-1-2-10-18-33-30-24-13-5-8-16-28(24)36-29-17-9-6-14-25(29)30;;/h4-5,7-8,12-13,15-16,21,26,35H,1-3,6,9-11,14,17-20,32H2,(H,33,36)(H,34,37);2*1H/t26-;;/m0../s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Hradec Kralove
Curated by ChEMBL
| Assay Description
Inhibition of nNOS in Wistar rat cortical homogenates incubated for 30 mins |
Eur J Med Chem 168: 491-514 (2019)
Article DOI: 10.1016/j.ejmech.2019.02.021
BindingDB Entry DOI: 10.7270/Q2RV0S3X |
More data for this
Ligand-Target Pair | |
Nitric oxide synthase, endothelial
(Rattus norvegicus) | BDBM50265253
((S)-2-amino-3-(1H-indol-3-yl)-N-(2-(1,2,3,4-tetrah...)Show SMILES N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCNc1c2CCCCc2nc2ccccc12 |r| Show InChI InChI=1S/C26H29N5O/c27-21(15-17-16-30-22-10-4-1-7-18(17)22)26(32)29-14-13-28-25-19-8-2-5-11-23(19)31-24-12-6-3-9-20(24)25/h1-2,4-5,7-8,10-11,16,21,30H,3,6,9,12-15,27H2,(H,28,31)(H,29,32)/t21-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Hradec Kralove
Curated by ChEMBL
| Assay Description
Inhibition of nNOS in Wistar rat cortical homogenates incubated for 30 mins |
Eur J Med Chem 168: 491-514 (2019)
Article DOI: 10.1016/j.ejmech.2019.02.021
BindingDB Entry DOI: 10.7270/Q2RV0S3X |
More data for this
Ligand-Target Pair | |
Nitric oxide synthase, endothelial
(Rattus norvegicus) | BDBM50523377
(CHEMBL4559593)Show SMILES Cl.Cl.NC(Cc1c[nH]c2ccccc12)C(=O)NCCCCCCNc1c2CCCCc2nc2cc(Cl)ccc12 Show InChI InChI=1S/C30H36ClN5O.2ClH/c31-21-13-14-24-28(18-21)36-27-12-6-4-10-23(27)29(24)33-15-7-1-2-8-16-34-30(37)25(32)17-20-19-35-26-11-5-3-9-22(20)26;;/h3,5,9,11,13-14,18-19,25,35H,1-2,4,6-8,10,12,15-17,32H2,(H,33,36)(H,34,37);2*1H | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Hradec Kralove
Curated by ChEMBL
| Assay Description
Inhibition of nNOS in Wistar rat cortical homogenates incubated for 30 mins |
Eur J Med Chem 168: 491-514 (2019)
Article DOI: 10.1016/j.ejmech.2019.02.021
BindingDB Entry DOI: 10.7270/Q2RV0S3X |
More data for this
Ligand-Target Pair | |
Nitric oxide synthase, endothelial
(Rattus norvegicus) | BDBM50099602
(CHEMBL3343931)Show SMILES N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCCCCCNc1c2CCCCc2nc2ccccc12 |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Hradec Kralove
Curated by ChEMBL
| Assay Description
Inhibition of nNOS in Wistar rat cortical homogenates incubated for 30 mins |
Eur J Med Chem 168: 491-514 (2019)
Article DOI: 10.1016/j.ejmech.2019.02.021
BindingDB Entry DOI: 10.7270/Q2RV0S3X |
More data for this
Ligand-Target Pair | |
Nitric oxide synthase, endothelial
(Rattus norvegicus) | BDBM50523371
(CHEMBL4456435)Show SMILES Cl.Cl.N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCCCCCCCNc1c2CCCCc2nc2ccccc12 |r| Show InChI InChI=1S/C32H41N5O.2ClH/c33-27(21-23-22-36-28-16-8-5-13-24(23)28)32(38)35-20-12-4-2-1-3-11-19-34-31-25-14-6-9-17-29(25)37-30-18-10-7-15-26(30)31;;/h5-6,8-9,13-14,16-17,22,27,36H,1-4,7,10-12,15,18-21,33H2,(H,34,37)(H,35,38);2*1H/t27-;;/m0../s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.70E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Hradec Kralove
Curated by ChEMBL
| Assay Description
Inhibition of nNOS in Wistar rat cortical homogenates incubated for 30 mins |
Eur J Med Chem 168: 491-514 (2019)
Article DOI: 10.1016/j.ejmech.2019.02.021
BindingDB Entry DOI: 10.7270/Q2RV0S3X |
More data for this
Ligand-Target Pair | |
Nitric oxide synthase, endothelial
(Rattus norvegicus) | BDBM50523381
(CHEMBL4444822)Show SMILES Cl.Cl.N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCNc1c2CCCCc2nc2cc(Cl)ccc12 |r| Show InChI InChI=1S/C26H28ClN5O.2ClH/c27-17-9-10-20-24(14-17)32-23-8-4-2-6-19(23)25(20)29-11-12-30-26(33)21(28)13-16-15-31-22-7-3-1-5-18(16)22;;/h1,3,5,7,9-10,14-15,21,31H,2,4,6,8,11-13,28H2,(H,29,32)(H,30,33);2*1H/t21-;;/m0../s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.90E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Hradec Kralove
Curated by ChEMBL
| Assay Description
Inhibition of nNOS in Wistar rat cortical homogenates incubated for 30 mins |
Eur J Med Chem 168: 491-514 (2019)
Article DOI: 10.1016/j.ejmech.2019.02.021
BindingDB Entry DOI: 10.7270/Q2RV0S3X |
More data for this
Ligand-Target Pair | |
Nitric oxide synthase, endothelial
(Rattus norvegicus) | BDBM50523393
(CHEMBL4466307)Show SMILES Cl.Cl.N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCCCCCCCNc1c2CCCCc2nc2cc(Cl)ccc12 |r| Show InChI InChI=1S/C32H40ClN5O.2ClH/c33-23-15-16-26-30(20-23)38-29-14-8-6-12-25(29)31(26)35-17-9-3-1-2-4-10-18-36-32(39)27(34)19-22-21-37-28-13-7-5-11-24(22)28;;/h5,7,11,13,15-16,20-21,27,37H,1-4,6,8-10,12,14,17-19,34H2,(H,35,38)(H,36,39);2*1H/t27-;;/m0../s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 4.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Hradec Kralove
Curated by ChEMBL
| Assay Description
Inhibition of nNOS in Wistar rat cortical homogenates incubated for 30 mins |
Eur J Med Chem 168: 491-514 (2019)
Article DOI: 10.1016/j.ejmech.2019.02.021
BindingDB Entry DOI: 10.7270/Q2RV0S3X |
More data for this
Ligand-Target Pair | |
Nitric oxide synthase, endothelial
(Rattus norvegicus) | BDBM50523392
(CHEMBL4582203)Show SMILES Cl.Cl.COc1ccc2nc3CCCCc3c(NCCCCCCCCNC(=O)[C@@H](N)Cc3c[nH]c4ccccc34)c2c1 |r| Show InChI InChI=1S/C33H43N5O2.2ClH/c1-40-24-16-17-31-27(21-24)32(26-13-7-9-15-30(26)38-31)35-18-10-4-2-3-5-11-19-36-33(39)28(34)20-23-22-37-29-14-8-6-12-25(23)29;;/h6,8,12,14,16-17,21-22,28,37H,2-5,7,9-11,13,15,18-20,34H2,1H3,(H,35,38)(H,36,39);2*1H/t28-;;/m0../s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 4.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Hradec Kralove
Curated by ChEMBL
| Assay Description
Inhibition of nNOS in Wistar rat cortical homogenates incubated for 30 mins |
Eur J Med Chem 168: 491-514 (2019)
Article DOI: 10.1016/j.ejmech.2019.02.021
BindingDB Entry DOI: 10.7270/Q2RV0S3X |
More data for this
Ligand-Target Pair | |
Nitric oxide synthase, endothelial
(Rattus norvegicus) | BDBM50379737
(CHEMBL2011128)Show SMILES CN(C)CCN1CCCCc2cc(ccc12)N=C(N)c1cccs1 |w:16.17| Show InChI InChI=1S/C19H26N4S/c1-22(2)11-12-23-10-4-3-6-15-14-16(8-9-17(15)23)21-19(20)18-7-5-13-24-18/h5,7-9,13-14H,3-4,6,10-12H2,1-2H3,(H2,20,21) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6.26E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
NeurAxon Inc.
Curated by ChEMBL
| Assay Description
Inhibition of rat eNOS |
Bioorg Med Chem Lett 22: 2510-3 (2012)
Article DOI: 10.1016/j.bmcl.2012.02.004
BindingDB Entry DOI: 10.7270/Q2639QRG |
More data for this
Ligand-Target Pair | |
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