Found 27 hits of Enzyme Inhibition Constant Data Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
5-hydroxytryptamine receptor 1A
(Homo sapiens (Human)) | BDBM50081081
(6-{4-[2-(4-Quinolin-8-yl-piperazin-1-yl)-ethyl]-ph...)Show SMILES Nc1cccc(n1)-c1ccc(CCN2CCN(CC2)c2cccc3cccnc23)cc1 Show InChI InChI=1S/C26H27N5/c27-25-8-2-6-23(29-25)21-11-9-20(10-12-21)13-15-30-16-18-31(19-17-30)24-7-1-4-22-5-3-14-28-26(22)24/h1-12,14H,13,15-19H2,(H2,27,29) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc. Groton
Curated by ChEMBL
| Assay Description
Binding affinity of compound to human 5-hydroxytryptamine 1A receptor |
Bioorg Med Chem Lett 9: 2569-72 (1999)
BindingDB Entry DOI: 10.7270/Q2BC3XRP |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50081081
(6-{4-[2-(4-Quinolin-8-yl-piperazin-1-yl)-ethyl]-ph...)Show SMILES Nc1cccc(n1)-c1ccc(CCN2CCN(CC2)c2cccc3cccnc23)cc1 Show InChI InChI=1S/C26H27N5/c27-25-8-2-6-23(29-25)21-11-9-20(10-12-21)13-15-30-16-18-31(19-17-30)24-7-1-4-22-5-3-14-28-26(22)24/h1-12,14H,13,15-19H2,(H2,27,29) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc. Groton
Curated by ChEMBL
| Assay Description
Binding ability of compound to human Dopamine receptor D2 |
Bioorg Med Chem Lett 9: 2569-72 (1999)
BindingDB Entry DOI: 10.7270/Q2BC3XRP |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM50081081
(6-{4-[2-(4-Quinolin-8-yl-piperazin-1-yl)-ethyl]-ph...)Show SMILES Nc1cccc(n1)-c1ccc(CCN2CCN(CC2)c2cccc3cccnc23)cc1 Show InChI InChI=1S/C26H27N5/c27-25-8-2-6-23(29-25)21-11-9-20(10-12-21)13-15-30-16-18-31(19-17-30)24-7-1-4-22-5-3-14-28-26(22)24/h1-12,14H,13,15-19H2,(H2,27,29) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| 14 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc. Groton
Curated by ChEMBL
| Assay Description
Binding affinity of compound to human 5-hydroxytryptamine 2A receptor |
Bioorg Med Chem Lett 9: 2569-72 (1999)
BindingDB Entry DOI: 10.7270/Q2BC3XRP |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(Homo sapiens (Human)) | BDBM50081082
(2-(4-{2-[4-(6-Amino-pyridin-2-yl)-phenyl]-ethyl}-p...)Show SMILES Nc1cccc(n1)-c1ccc(CCN2CCN(CC(=O)c3ccccc3)CC2)cc1 Show InChI InChI=1S/C25H28N4O/c26-25-8-4-7-23(27-25)21-11-9-20(10-12-21)13-14-28-15-17-29(18-16-28)19-24(30)22-5-2-1-3-6-22/h1-12H,13-19H2,(H2,26,27) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| 320 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc. Groton
Curated by ChEMBL
| Assay Description
Binding affinity of compound to m2 muscarinic receptor |
Bioorg Med Chem Lett 9: 2569-72 (1999)
BindingDB Entry DOI: 10.7270/Q2BC3XRP |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M4
(Homo sapiens (Human)) | BDBM50081082
(2-(4-{2-[4-(6-Amino-pyridin-2-yl)-phenyl]-ethyl}-p...)Show SMILES Nc1cccc(n1)-c1ccc(CCN2CCN(CC(=O)c3ccccc3)CC2)cc1 Show InChI InChI=1S/C25H28N4O/c26-25-8-4-7-23(27-25)21-11-9-20(10-12-21)13-14-28-15-17-29(18-16-28)19-24(30)22-5-2-1-3-6-22/h1-12H,13-19H2,(H2,26,27) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| 590 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc. Groton
Curated by ChEMBL
| Assay Description
Binding ability of compound to m4 muscarinic receptor |
Bioorg Med Chem Lett 9: 2569-72 (1999)
BindingDB Entry DOI: 10.7270/Q2BC3XRP |
More data for this
Ligand-Target Pair | |
Nitric oxide synthase, brain
(Rattus norvegicus (rat)) | BDBM50081085
(1-(4-{2-[4-(6-Amino-pyridin-2-yl)-phenyl]-ethyl}-p...)Show SMILES Nc1cccc(n1)-c1ccc(CCN2CCN(CC2)C(=O)Cc2ccccc2)cc1 Show InChI InChI=1S/C25H28N4O/c26-24-8-4-7-23(27-24)22-11-9-20(10-12-22)13-14-28-15-17-29(18-16-28)25(30)19-21-5-2-1-3-6-21/h1-12H,13-19H2,(H2,26,27) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 108 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc. Groton
Curated by ChEMBL
| Assay Description
Inhibitory activity against rat neuronal nitric oxide synthase (nNOS) |
Bioorg Med Chem Lett 9: 2569-72 (1999)
BindingDB Entry DOI: 10.7270/Q2BC3XRP |
More data for this
Ligand-Target Pair | |
Nitric oxide synthase, brain
(Rattus norvegicus (rat)) | BDBM50081082
(2-(4-{2-[4-(6-Amino-pyridin-2-yl)-phenyl]-ethyl}-p...)Show SMILES Nc1cccc(n1)-c1ccc(CCN2CCN(CC(=O)c3ccccc3)CC2)cc1 Show InChI InChI=1S/C25H28N4O/c26-25-8-4-7-23(27-25)21-11-9-20(10-12-21)13-14-28-15-17-29(18-16-28)19-24(30)22-5-2-1-3-6-22/h1-12H,13-19H2,(H2,26,27) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 127 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc. Groton
Curated by ChEMBL
| Assay Description
Inhibitory activity against rat neuronal nitric oxide synthase (nNOS) |
Bioorg Med Chem Lett 9: 2569-72 (1999)
BindingDB Entry DOI: 10.7270/Q2BC3XRP |
More data for this
Ligand-Target Pair | |
Nitric oxide synthase, brain
(Rattus norvegicus (rat)) | BDBM50081081
(6-{4-[2-(4-Quinolin-8-yl-piperazin-1-yl)-ethyl]-ph...)Show SMILES Nc1cccc(n1)-c1ccc(CCN2CCN(CC2)c2cccc3cccnc23)cc1 Show InChI InChI=1S/C26H27N5/c27-25-8-2-6-23(29-25)21-11-9-20(10-12-21)13-15-30-16-18-31(19-17-30)24-7-1-4-22-5-3-14-28-26(22)24/h1-12,14H,13,15-19H2,(H2,27,29) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| n/a | n/a | 130 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc. Groton
Curated by ChEMBL
| Assay Description
Inhibitory activity against rat neuronal nitric oxide synthase (nNOS) |
Bioorg Med Chem Lett 9: 2569-72 (1999)
BindingDB Entry DOI: 10.7270/Q2BC3XRP |
More data for this
Ligand-Target Pair | |
Nitric oxide synthase, brain
(Homo sapiens (Human)) | BDBM50081085
(1-(4-{2-[4-(6-Amino-pyridin-2-yl)-phenyl]-ethyl}-p...)Show SMILES Nc1cccc(n1)-c1ccc(CCN2CCN(CC2)C(=O)Cc2ccccc2)cc1 Show InChI InChI=1S/C25H28N4O/c26-24-8-4-7-23(27-24)22-11-9-20(10-12-22)13-14-28-15-17-29(18-16-28)25(30)19-21-5-2-1-3-6-21/h1-12H,13-19H2,(H2,26,27) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 137 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc. Groton
Curated by ChEMBL
| Assay Description
Inhibitory activity against human neuronal nitric oxide synthase (nNOS) |
Bioorg Med Chem Lett 9: 2569-72 (1999)
BindingDB Entry DOI: 10.7270/Q2BC3XRP |
More data for this
Ligand-Target Pair | |
Nitric oxide synthase, brain
(Homo sapiens (Human)) | BDBM50081082
(2-(4-{2-[4-(6-Amino-pyridin-2-yl)-phenyl]-ethyl}-p...)Show SMILES Nc1cccc(n1)-c1ccc(CCN2CCN(CC(=O)c3ccccc3)CC2)cc1 Show InChI InChI=1S/C25H28N4O/c26-25-8-4-7-23(27-25)21-11-9-20(10-12-21)13-14-28-15-17-29(18-16-28)19-24(30)22-5-2-1-3-6-22/h1-12H,13-19H2,(H2,26,27) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 140 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc. Groton
Curated by ChEMBL
| Assay Description
Inhibitory activity against human neuronal nitric oxide synthase (nNOS) |
Bioorg Med Chem Lett 9: 2569-72 (1999)
BindingDB Entry DOI: 10.7270/Q2BC3XRP |
More data for this
Ligand-Target Pair | |
Nitric oxide synthase, brain
(Rattus norvegicus (rat)) | BDBM50081083
(6-{4-[2-(4-Isobutyl-piperazin-1-yl)-ethyl]-phenyl}...)Show InChI InChI=1S/C21H30N4/c1-17(2)16-25-14-12-24(13-15-25)11-10-18-6-8-19(9-7-18)20-4-3-5-21(22)23-20/h3-9,17H,10-16H2,1-2H3,(H2,22,23) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 193 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc. Groton
Curated by ChEMBL
| Assay Description
Inhibitory activity against rat neuronal nitric oxide synthase (nNOS) |
Bioorg Med Chem Lett 9: 2569-72 (1999)
BindingDB Entry DOI: 10.7270/Q2BC3XRP |
More data for this
Ligand-Target Pair | |
Nitric oxide synthase, brain
(Homo sapiens (Human)) | BDBM50081081
(6-{4-[2-(4-Quinolin-8-yl-piperazin-1-yl)-ethyl]-ph...)Show SMILES Nc1cccc(n1)-c1ccc(CCN2CCN(CC2)c2cccc3cccnc23)cc1 Show InChI InChI=1S/C26H27N5/c27-25-8-2-6-23(29-25)21-11-9-20(10-12-21)13-15-30-16-18-31(19-17-30)24-7-1-4-22-5-3-14-28-26(22)24/h1-12,14H,13,15-19H2,(H2,27,29) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| n/a | n/a | 212 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc. Groton
Curated by ChEMBL
| Assay Description
Inhibitory activity against human neuronal nitric oxide synthase (nNOS) |
Bioorg Med Chem Lett 9: 2569-72 (1999)
BindingDB Entry DOI: 10.7270/Q2BC3XRP |
More data for this
Ligand-Target Pair | |
Nitric oxide synthase, brain
(Rattus norvegicus (rat)) | BDBM50081080
(6-{4-[2-(4-Phenethyl-piperazin-1-yl)-ethyl]-phenyl...)Show SMILES Nc1cccc(n1)-c1ccc(CCN2CCN(CCc3ccccc3)CC2)cc1 Show InChI InChI=1S/C25H30N4/c26-25-8-4-7-24(27-25)23-11-9-22(10-12-23)14-16-29-19-17-28(18-20-29)15-13-21-5-2-1-3-6-21/h1-12H,13-20H2,(H2,26,27) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 247 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc. Groton
Curated by ChEMBL
| Assay Description
Inhibitory activity against rat neuronal nitric oxide synthase (nNOS) |
Bioorg Med Chem Lett 9: 2569-72 (1999)
BindingDB Entry DOI: 10.7270/Q2BC3XRP |
More data for this
Ligand-Target Pair | |
Nitric oxide synthase, brain
(Rattus norvegicus (rat)) | BDBM50081084
(2-(4-{2-[4-(6-Amino-pyridin-2-yl)-phenyl]-ethyl}-p...)Show SMILES CC(C)NC(=O)CN1CCN(CCc2ccc(cc2)-c2cccc(N)n2)CC1 Show InChI InChI=1S/C22H31N5O/c1-17(2)24-22(28)16-27-14-12-26(13-15-27)11-10-18-6-8-19(9-7-18)20-4-3-5-21(23)25-20/h3-9,17H,10-16H2,1-2H3,(H2,23,25)(H,24,28) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 256 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc. Groton
Curated by ChEMBL
| Assay Description
Inhibitory activity against rat neuronal nitric oxide synthase (nNOS) |
Bioorg Med Chem Lett 9: 2569-72 (1999)
BindingDB Entry DOI: 10.7270/Q2BC3XRP |
More data for this
Ligand-Target Pair | |
Nitric oxide synthase, brain
(Homo sapiens (Human)) | BDBM50081080
(6-{4-[2-(4-Phenethyl-piperazin-1-yl)-ethyl]-phenyl...)Show SMILES Nc1cccc(n1)-c1ccc(CCN2CCN(CCc3ccccc3)CC2)cc1 Show InChI InChI=1S/C25H30N4/c26-25-8-4-7-24(27-25)23-11-9-22(10-12-23)14-16-29-19-17-28(18-20-29)15-13-21-5-2-1-3-6-21/h1-12H,13-20H2,(H2,26,27) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 264 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc. Groton
Curated by ChEMBL
| Assay Description
Inhibitory activity against human neuronal nitric oxide synthase (nNOS) |
Bioorg Med Chem Lett 9: 2569-72 (1999)
BindingDB Entry DOI: 10.7270/Q2BC3XRP |
More data for this
Ligand-Target Pair | |
Nitric oxide synthase, brain
(Homo sapiens (Human)) | BDBM50081084
(2-(4-{2-[4-(6-Amino-pyridin-2-yl)-phenyl]-ethyl}-p...)Show SMILES CC(C)NC(=O)CN1CCN(CCc2ccc(cc2)-c2cccc(N)n2)CC1 Show InChI InChI=1S/C22H31N5O/c1-17(2)24-22(28)16-27-14-12-26(13-15-27)11-10-18-6-8-19(9-7-18)20-4-3-5-21(23)25-20/h3-9,17H,10-16H2,1-2H3,(H2,23,25)(H,24,28) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 330 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc. Groton
Curated by ChEMBL
| Assay Description
Inhibitory activity against human neuronal nitric oxide synthase (nNOS) |
Bioorg Med Chem Lett 9: 2569-72 (1999)
BindingDB Entry DOI: 10.7270/Q2BC3XRP |
More data for this
Ligand-Target Pair | |
Nitric oxide synthase, brain
(Homo sapiens (Human)) | BDBM50081083
(6-{4-[2-(4-Isobutyl-piperazin-1-yl)-ethyl]-phenyl}...)Show InChI InChI=1S/C21H30N4/c1-17(2)16-25-14-12-24(13-15-25)11-10-18-6-8-19(9-7-18)20-4-3-5-21(22)23-20/h3-9,17H,10-16H2,1-2H3,(H2,22,23) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 350 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc. Groton
Curated by ChEMBL
| Assay Description
Inhibitory activity against human neuronal nitric oxide synthase (nNOS) |
Bioorg Med Chem Lett 9: 2569-72 (1999)
BindingDB Entry DOI: 10.7270/Q2BC3XRP |
More data for this
Ligand-Target Pair | |
Nitric oxide synthase, endothelial
(Homo sapiens (Human)) | BDBM50081083
(6-{4-[2-(4-Isobutyl-piperazin-1-yl)-ethyl]-phenyl}...)Show InChI InChI=1S/C21H30N4/c1-17(2)16-25-14-12-24(13-15-25)11-10-18-6-8-19(9-7-18)20-4-3-5-21(22)23-20/h3-9,17H,10-16H2,1-2H3,(H2,22,23) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 372 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc. Groton
Curated by ChEMBL
| Assay Description
Inhibitory activity against human endothelial nitric oxide synthase (eNOS) |
Bioorg Med Chem Lett 9: 2569-72 (1999)
BindingDB Entry DOI: 10.7270/Q2BC3XRP |
More data for this
Ligand-Target Pair | |
Nitric oxide synthase, endothelial
(Homo sapiens (Human)) | BDBM50081080
(6-{4-[2-(4-Phenethyl-piperazin-1-yl)-ethyl]-phenyl...)Show SMILES Nc1cccc(n1)-c1ccc(CCN2CCN(CCc3ccccc3)CC2)cc1 Show InChI InChI=1S/C25H30N4/c26-25-8-4-7-24(27-25)23-11-9-22(10-12-23)14-16-29-19-17-28(18-20-29)15-13-21-5-2-1-3-6-21/h1-12H,13-20H2,(H2,26,27) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 448 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc. Groton
Curated by ChEMBL
| Assay Description
Inhibitory activity against human endothelial nitric oxide synthase (eNOS) |
Bioorg Med Chem Lett 9: 2569-72 (1999)
BindingDB Entry DOI: 10.7270/Q2BC3XRP |
More data for this
Ligand-Target Pair | |
Nitric oxide synthase, endothelial
(Homo sapiens (Human)) | BDBM50081085
(1-(4-{2-[4-(6-Amino-pyridin-2-yl)-phenyl]-ethyl}-p...)Show SMILES Nc1cccc(n1)-c1ccc(CCN2CCN(CC2)C(=O)Cc2ccccc2)cc1 Show InChI InChI=1S/C25H28N4O/c26-24-8-4-7-23(27-24)22-11-9-20(10-12-22)13-14-28-15-17-29(18-16-28)25(30)19-21-5-2-1-3-6-21/h1-12H,13-19H2,(H2,26,27) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 685 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc. Groton
Curated by ChEMBL
| Assay Description
Inhibitory activity against human endothelial nitric oxide synthase (eNOS) |
Bioorg Med Chem Lett 9: 2569-72 (1999)
BindingDB Entry DOI: 10.7270/Q2BC3XRP |
More data for this
Ligand-Target Pair | |
Nitric oxide synthase, endothelial
(Homo sapiens (Human)) | BDBM50081084
(2-(4-{2-[4-(6-Amino-pyridin-2-yl)-phenyl]-ethyl}-p...)Show SMILES CC(C)NC(=O)CN1CCN(CCc2ccc(cc2)-c2cccc(N)n2)CC1 Show InChI InChI=1S/C22H31N5O/c1-17(2)24-22(28)16-27-14-12-26(13-15-27)11-10-18-6-8-19(9-7-18)20-4-3-5-21(23)25-20/h3-9,17H,10-16H2,1-2H3,(H2,23,25)(H,24,28) | PDB
UniProtKB/SwissProt
antibodypedia
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AffyNet
| CHEMBL
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PC sid
UniChem
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| PubMed
| n/a | n/a | 815 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc. Groton
Curated by ChEMBL
| Assay Description
Inhibitory activity against human endothelial nitric oxide synthase (eNOS) |
Bioorg Med Chem Lett 9: 2569-72 (1999)
BindingDB Entry DOI: 10.7270/Q2BC3XRP |
More data for this
Ligand-Target Pair | |
Nitric oxide synthase, endothelial
(Homo sapiens (Human)) | BDBM50081081
(6-{4-[2-(4-Quinolin-8-yl-piperazin-1-yl)-ethyl]-ph...)Show SMILES Nc1cccc(n1)-c1ccc(CCN2CCN(CC2)c2cccc3cccnc23)cc1 Show InChI InChI=1S/C26H27N5/c27-25-8-2-6-23(29-25)21-11-9-20(10-12-21)13-15-30-16-18-31(19-17-30)24-7-1-4-22-5-3-14-28-26(22)24/h1-12,14H,13,15-19H2,(H2,27,29) | PDB
UniProtKB/SwissProt
antibodypedia
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| CHEMBL
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UniChem
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| n/a | n/a | 825 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc. Groton
Curated by ChEMBL
| Assay Description
Inhibitory activity against human endothelial nitric oxide synthase (eNOS) |
Bioorg Med Chem Lett 9: 2569-72 (1999)
BindingDB Entry DOI: 10.7270/Q2BC3XRP |
More data for this
Ligand-Target Pair | |
Nitric oxide synthase, endothelial
(Homo sapiens (Human)) | BDBM50081082
(2-(4-{2-[4-(6-Amino-pyridin-2-yl)-phenyl]-ethyl}-p...)Show SMILES Nc1cccc(n1)-c1ccc(CCN2CCN(CC(=O)c3ccccc3)CC2)cc1 Show InChI InChI=1S/C25H28N4O/c26-25-8-4-7-23(27-25)21-11-9-20(10-12-21)13-14-28-15-17-29(18-16-28)19-24(30)22-5-2-1-3-6-22/h1-12H,13-19H2,(H2,26,27) | PDB
UniProtKB/SwissProt
antibodypedia
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AffyNet
| CHEMBL
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UniChem
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| n/a | n/a | 887 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc. Groton
Curated by ChEMBL
| Assay Description
Inhibitory activity against human endothelial nitric oxide synthase (eNOS) |
Bioorg Med Chem Lett 9: 2569-72 (1999)
BindingDB Entry DOI: 10.7270/Q2BC3XRP |
More data for this
Ligand-Target Pair | |
Nitric oxide synthase, endothelial
(Homo sapiens (Human)) | 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
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MCE
MMDB
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| PDB
PubMed
| n/a | n/a | 1.89E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc. Groton
Curated by ChEMBL
| Assay Description
Inhibitory activity against human endothelial nitric oxide synthase (eNOS) |
Bioorg Med Chem Lett 9: 2569-72 (1999)
BindingDB Entry DOI: 10.7270/Q2BC3XRP |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Nitric oxide synthase, brain
(Rattus norvegicus (rat)) | 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
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| n/a | n/a | 2.12E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc. Groton
Curated by ChEMBL
| Assay Description
Inhibitory activity against rat neuronal nitric oxide synthase (nNOS) |
Bioorg Med Chem Lett 9: 2569-72 (1999)
BindingDB Entry DOI: 10.7270/Q2BC3XRP |
More data for this
Ligand-Target Pair | |
Nitric oxide synthase, brain
(Homo sapiens (Human)) | 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
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| n/a | n/a | 2.87E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc. Groton
Curated by ChEMBL
| Assay Description
Inhibitory activity against human neuronal nitric oxide synthase (nNOS) |
Bioorg Med Chem Lett 9: 2569-72 (1999)
BindingDB Entry DOI: 10.7270/Q2BC3XRP |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50081082
(2-(4-{2-[4-(6-Amino-pyridin-2-yl)-phenyl]-ethyl}-p...)Show SMILES Nc1cccc(n1)-c1ccc(CCN2CCN(CC(=O)c3ccccc3)CC2)cc1 Show InChI InChI=1S/C25H28N4O/c26-25-8-4-7-23(27-25)21-11-9-20(10-12-21)13-14-28-15-17-29(18-16-28)19-24(30)22-5-2-1-3-6-22/h1-12H,13-19H2,(H2,26,27) | PDB
Reactome pathway
KEGG
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| CHEMBL
PC cid
PC sid
UniChem
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| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc. Groton
Curated by ChEMBL
| Assay Description
Binding affinity of compound to Dopamine receptor D2 |
Bioorg Med Chem Lett 9: 2569-72 (1999)
BindingDB Entry DOI: 10.7270/Q2BC3XRP |
More data for this
Ligand-Target Pair | |
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