Found 1297 hits with Last Name = 'mitchell' and Initial = 'p' 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 |
|---|
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat)) | BDBM50295066
((2S)-8-Methyl-2-{[4-(6-nitroquinolin-2-yl)piperazi...)Show SMILES Cc1ccc2c3O[C@@H](CN4CCN(CC4)c4ccc5cc(ccc5n4)[N+]([O-])=O)COc3ccc2n1 |r| Show InChI InChI=1S/C26H25N5O4/c1-17-2-5-21-23(27-17)7-8-24-26(21)35-20(16-34-24)15-29-10-12-30(13-11-29)25-9-3-18-14-19(31(32)33)4-6-22(18)28-25/h2-9,14,20H,10-13,15-16H2,1H3/t20-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.25 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Displacement of [3H]paroxetine from 5HT transporter in rat cortical membrane |
J Med Chem 52: 4955-9 (2009)
Article DOI: 10.1021/jm900374r
BindingDB Entry DOI: 10.7270/Q2CZ376D |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat)) | BDBM50295064
((2S)-2-{[4-(6-Chloroquinolin-2-yl)piperazin-1-yl]m...)Show SMILES Cc1ccc2c3O[C@@H](CN4CCN(CC4)c4ccc5cc(Cl)ccc5n4)COc3ccc2n1 |r| Show InChI InChI=1S/C26H25ClN4O2/c1-17-2-5-21-23(28-17)7-8-24-26(21)33-20(16-32-24)15-30-10-12-31(13-11-30)25-9-3-18-14-19(27)4-6-22(18)29-25/h2-9,14,20H,10-13,15-16H2,1H3/t20-/m0/s1 | PDB
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UniProtKB/SwissProt
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.880 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Displacement of [3H]paroxetine from 5HT transporter in rat cortical membrane |
J Med Chem 52: 4955-9 (2009)
Article DOI: 10.1021/jm900374r
BindingDB Entry DOI: 10.7270/Q2CZ376D |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1A
(Homo sapiens (Human)) | BDBM86708
(CAS_146714-97-8 | CHEMBL31354 | CHEMBL514874 | CHE...)Show SMILES COc1ccccc1N1CCN(CCN(C(=O)C2CCCCC2)c2ccccn2)CC1 Show InChI InChI=1S/C25H34N4O2/c1-31-23-12-6-5-11-22(23)28-18-15-27(16-19-28)17-20-29(24-13-7-8-14-26-24)25(30)21-9-3-2-4-10-21/h5-8,11-14,21H,2-4,9-10,15-20H2,1H3 | PDB
UniProtKB/SwissProt
antibodypedia
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CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.900 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in CHO cells |
J Med Chem 52: 4955-9 (2009)
Article DOI: 10.1021/jm900374r
BindingDB Entry DOI: 10.7270/Q2CZ376D |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat)) | BDBM50295055
(2-(4-{[(2S)-8-Methyl-2,3-dihydro[1,4]dioxino[2,3-f...)Show SMILES Cc1ccc2c3O[C@@H](CN4CCCN(CC4)c4ccc5cc(ccc5n4)C#N)COc3ccc2n1 |r| Show InChI InChI=1S/C28H27N5O2/c1-19-3-6-23-25(30-19)8-9-26-28(23)35-22(18-34-26)17-32-11-2-12-33(14-13-32)27-10-5-21-15-20(16-29)4-7-24(21)31-27/h3-10,15,22H,2,11-14,17-18H2,1H3/t22-/m0/s1 | PDB
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| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| 1.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Displacement of [3H]paroxetine from 5HT transporter in rat cortical membrane |
J Med Chem 52: 4955-9 (2009)
Article DOI: 10.1021/jm900374r
BindingDB Entry DOI: 10.7270/Q2CZ376D |
More data for this
Ligand-Target Pair | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50073839
(CHEMBL283066 | [4-(1,3-Dioxo-1,3-dihydro-isoindol-...)Show SMILES CC(C)C[C@@H](NC(=O)[C@H](CCc1ccccc1)CP(O)(=O)CCCCN1C(=O)c2ccccc2C1=O)C(=O)Nc1ccccc1 Show InChI InChI=1S/C35H42N3O6P/c1-25(2)23-31(33(40)36-28-15-7-4-8-16-28)37-32(39)27(20-19-26-13-5-3-6-14-26)24-45(43,44)22-12-11-21-38-34(41)29-17-9-10-18-30(29)35(38)42/h3-10,13-18,25,27,31H,11-12,19-24H2,1-2H3,(H,36,40)(H,37,39)(H,43,44)/t27-,31-/m1/s1 | PDB
MMDB
Reactome pathway
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DrugBank
antibodypedia
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 1.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc
Curated by ChEMBL
| Assay Description
Inhibition of recombinant matrix metalloprotease-3 (MMP-3) |
Bioorg Med Chem Lett 9: 127-32 (1999)
BindingDB Entry DOI: 10.7270/Q2JD4VZ4 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1A
(Homo sapiens (Human)) | BDBM50295054
((2S)-2-{[4-(6-Fluoroquinolin-2-yl)-1,4-diazepan-1-...)Show SMILES Cc1ccc2c3O[C@@H](CN4CCCN(CC4)c4ccc5cc(F)ccc5n4)COc3ccc2n1 |r| Show InChI InChI=1S/C27H27FN4O2/c1-18-3-6-22-24(29-18)8-9-25-27(22)34-21(17-33-25)16-31-11-2-12-32(14-13-31)26-10-4-19-15-20(28)5-7-23(19)30-26/h3-10,15,21H,2,11-14,16-17H2,1H3/t21-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| 1.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in CHO cells |
J Med Chem 52: 4955-9 (2009)
Article DOI: 10.1021/jm900374r
BindingDB Entry DOI: 10.7270/Q2CZ376D |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1A
(Homo sapiens (Human)) | BDBM50295055
(2-(4-{[(2S)-8-Methyl-2,3-dihydro[1,4]dioxino[2,3-f...)Show SMILES Cc1ccc2c3O[C@@H](CN4CCCN(CC4)c4ccc5cc(ccc5n4)C#N)COc3ccc2n1 |r| Show InChI InChI=1S/C28H27N5O2/c1-19-3-6-23-25(30-19)8-9-26-28(23)35-22(18-34-26)17-32-11-2-12-33(14-13-32)27-10-5-21-15-20(16-29)4-7-24(21)31-27/h3-10,15,22H,2,11-14,17-18H2,1H3/t22-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in CHO cells |
J Med Chem 52: 4955-9 (2009)
Article DOI: 10.1021/jm900374r
BindingDB Entry DOI: 10.7270/Q2CZ376D |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat)) | BDBM50295053
((S)-2-((4-(1H-Indol-3-yl)-5,6-dihydropyridin-1(2H)...)Show SMILES Cc1ccc2c3O[C@@H](CN4CCC(=CC4)c4c[nH]c5ccccc45)COc3ccc2n1 |r,c:12| Show InChI InChI=1S/C26H25N3O2/c1-17-6-7-21-24(28-17)8-9-25-26(21)31-19(16-30-25)15-29-12-10-18(11-13-29)22-14-27-23-5-3-2-4-20(22)23/h2-10,14,19,27H,11-13,15-16H2,1H3/t19-/m0/s1 | PDB
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PC cid
PC sid
UniChem
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| Article
PubMed
| 2.34 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Displacement of [3H]paroxetine from 5HT transporter in rat cortical membrane |
J Med Chem 52: 4955-9 (2009)
Article DOI: 10.1021/jm900374r
BindingDB Entry DOI: 10.7270/Q2CZ376D |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat)) | BDBM30130
(CHEMBL1201082 | CHEMBL41 | Fluoxetin | Fluoxetine ...)Show InChI InChI=1S/C17H18F3NO/c1-21-12-11-16(13-5-3-2-4-6-13)22-15-9-7-14(8-10-15)17(18,19)20/h2-10,16,21H,11-12H2,1H3 | PDB
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| Article
PubMed
| 2.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Displacement of [3H]paroxetine from 5HT transporter in rat cortical membrane |
J Med Chem 52: 4955-9 (2009)
Article DOI: 10.1021/jm900374r
BindingDB Entry DOI: 10.7270/Q2CZ376D |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1A
(Homo sapiens (Human)) | BDBM50295057
(2-((3R)-3-Methyl-4-{[(2S)-8-methyl-2,3-dihydro[1,4...)Show SMILES C[C@@H]1CN(CCN1C[C@H]1COc2ccc3nc(C)ccc3c2O1)c1ccc2cc(ccc2n1)C#N |r| Show InChI InChI=1S/C28H27N5O2/c1-18-3-6-23-25(30-18)8-9-26-28(23)35-22(17-34-26)16-32-11-12-33(15-19(32)2)27-10-5-21-13-20(14-29)4-7-24(21)31-27/h3-10,13,19,22H,11-12,15-17H2,1-2H3/t19-,22+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
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AffyNet
| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| 2.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in CHO cells |
J Med Chem 52: 4955-9 (2009)
Article DOI: 10.1021/jm900374r
BindingDB Entry DOI: 10.7270/Q2CZ376D |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1A
(Homo sapiens (Human)) | BDBM50295053
((S)-2-((4-(1H-Indol-3-yl)-5,6-dihydropyridin-1(2H)...)Show SMILES Cc1ccc2c3O[C@@H](CN4CCC(=CC4)c4c[nH]c5ccccc45)COc3ccc2n1 |r,c:12| Show InChI InChI=1S/C26H25N3O2/c1-17-6-7-21-24(28-17)8-9-25-26(21)31-19(16-30-25)15-29-12-10-18(11-13-29)22-14-27-23-5-3-2-4-20(22)23/h2-10,14,19,27H,11-13,15-16H2,1H3/t19-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
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AffyNet
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PC cid
PC sid
UniChem
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| Article
PubMed
| 3.02 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in CHO cells |
J Med Chem 52: 4955-9 (2009)
Article DOI: 10.1021/jm900374r
BindingDB Entry DOI: 10.7270/Q2CZ376D |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1A
(Homo sapiens (Human)) | BDBM50295052
(2-(4-{[(2S)-8-Methyl-2,3-dihydro[1,4]dioxino[2,3-f...)Show SMILES Cc1ccc2c3O[C@@H](CN4CCN(CC4)c4ccc5cc(ccc5n4)C#N)COc3ccc2n1 |r| Show InChI InChI=1S/C27H25N5O2/c1-18-2-5-22-24(29-18)7-8-25-27(22)34-21(17-33-25)16-31-10-12-32(13-11-31)26-9-4-20-14-19(15-28)3-6-23(20)30-26/h2-9,14,21H,10-13,16-17H2,1H3/t21-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in CHO cells |
J Med Chem 52: 4955-9 (2009)
Article DOI: 10.1021/jm900374r
BindingDB Entry DOI: 10.7270/Q2CZ376D |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat)) | BDBM50295054
((2S)-2-{[4-(6-Fluoroquinolin-2-yl)-1,4-diazepan-1-...)Show SMILES Cc1ccc2c3O[C@@H](CN4CCCN(CC4)c4ccc5cc(F)ccc5n4)COc3ccc2n1 |r| Show InChI InChI=1S/C27H27FN4O2/c1-18-3-6-22-24(29-18)8-9-25-27(22)34-21(17-33-25)16-31-11-2-12-32(14-13-31)26-10-4-19-15-20(28)5-7-23(19)30-26/h3-10,15,21H,2,11-14,16-17H2,1H3/t21-/m0/s1 | PDB
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| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| 3.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Displacement of [3H]paroxetine from 5HT transporter in rat cortical membrane |
J Med Chem 52: 4955-9 (2009)
Article DOI: 10.1021/jm900374r
BindingDB Entry DOI: 10.7270/Q2CZ376D |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1A
(Homo sapiens (Human)) | BDBM50295058
((2S)-8-Methyl-2-{[(2R)-2-methyl-4-quinolin-2-ylpip...)Show SMILES C[C@@H]1CN(CCN1C[C@H]1COc2ccc3nc(C)ccc3c2O1)c1ccc2ccccc2n1 |r| Show InChI InChI=1S/C27H28N4O2/c1-18-7-9-22-24(28-18)10-11-25-27(22)33-21(17-32-25)16-30-13-14-31(15-19(30)2)26-12-8-20-5-3-4-6-23(20)29-26/h3-12,19,21H,13-17H2,1-2H3/t19-,21+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 5.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in CHO cells |
J Med Chem 52: 4955-9 (2009)
Article DOI: 10.1021/jm900374r
BindingDB Entry DOI: 10.7270/Q2CZ376D |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50073823
(CHEMBL24871 | {4-[((S)-1-Acetyl-pyrrolidine-2-carb...)Show SMILES CC(C)C[C@@H](NC(=O)[C@H](CCc1ccccc1)CP(O)(=O)CCCCNC(=O)[C@@H]1CCCN1C(C)=O)C(=O)Nc1ccccc1 Show InChI InChI=1S/C34H49N4O6P/c1-25(2)23-30(33(41)36-29-15-8-5-9-16-29)37-32(40)28(19-18-27-13-6-4-7-14-27)24-45(43,44)22-11-10-20-35-34(42)31-17-12-21-38(31)26(3)39/h4-9,13-16,25,28,30-31H,10-12,17-24H2,1-3H3,(H,35,42)(H,36,41)(H,37,40)(H,43,44)/t28-,30-,31+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 6.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc
Curated by ChEMBL
| Assay Description
Inhibition of recombinant matrix metalloprotease-2 (MMP-2) |
Bioorg Med Chem Lett 9: 127-32 (1999)
BindingDB Entry DOI: 10.7270/Q2JD4VZ4 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1A
(Homo sapiens (Human)) | BDBM50295056
((2S)-8-Methyl-2-[(4-quinolin-2-yl-1,4-diazepan-1-y...)Show SMILES Cc1ccc2c3O[C@@H](CN4CCCN(CC4)c4ccc5ccccc5n4)COc3ccc2n1 |r| Show InChI InChI=1S/C27H28N4O2/c1-19-7-9-22-24(28-19)10-11-25-27(22)33-21(18-32-25)17-30-13-4-14-31(16-15-30)26-12-8-20-5-2-3-6-23(20)29-26/h2-3,5-12,21H,4,13-18H2,1H3/t21-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 6.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in CHO cells |
J Med Chem 52: 4955-9 (2009)
Article DOI: 10.1021/jm900374r
BindingDB Entry DOI: 10.7270/Q2CZ376D |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1A
(Homo sapiens (Human)) | BDBM50295062
(2-(4-{[(2S)-8-Methyl-2,3-dihydro[1,4]dioxino[2,3-f...)Show SMILES Cc1ccc2c3O[C@@H](CN4CCN(CC4)c4ccc5cc(ccc5n4)C(N)=O)COc3ccc2n1 |r| Show InChI InChI=1S/C27H27N5O3/c1-17-2-5-21-23(29-17)7-8-24-26(21)35-20(16-34-24)15-31-10-12-32(13-11-31)25-9-4-18-14-19(27(28)33)3-6-22(18)30-25/h2-9,14,20H,10-13,15-16H2,1H3,(H2,28,33)/t20-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 7.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in CHO cells |
J Med Chem 52: 4955-9 (2009)
Article DOI: 10.1021/jm900374r
BindingDB Entry DOI: 10.7270/Q2CZ376D |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat)) | BDBM50295056
((2S)-8-Methyl-2-[(4-quinolin-2-yl-1,4-diazepan-1-y...)Show SMILES Cc1ccc2c3O[C@@H](CN4CCCN(CC4)c4ccc5ccccc5n4)COc3ccc2n1 |r| Show InChI InChI=1S/C27H28N4O2/c1-19-7-9-22-24(28-19)10-11-25-27(22)33-21(18-32-25)17-30-13-4-14-31(16-15-30)26-12-8-20-5-2-3-6-23(20)29-26/h2-3,5-12,21H,4,13-18H2,1H3/t21-/m0/s1 | PDB
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UniChem
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| Article
PubMed
| 7.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Displacement of [3H]paroxetine from 5HT transporter in rat cortical membrane |
J Med Chem 52: 4955-9 (2009)
Article DOI: 10.1021/jm900374r
BindingDB Entry DOI: 10.7270/Q2CZ376D |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat)) | BDBM50295059
((2S)-8-Methyl-2-{[(2S)-2-methyl-4-quinolin-2-ylpip...)Show SMILES C[C@H]1CN(CCN1C[C@H]1COc2ccc3nc(C)ccc3c2O1)c1ccc2ccccc2n1 |r| Show InChI InChI=1S/C27H28N4O2/c1-18-7-9-22-24(28-18)10-11-25-27(22)33-21(17-32-25)16-30-13-14-31(15-19(30)2)26-12-8-20-5-3-4-6-23(20)29-26/h3-12,19,21H,13-17H2,1-2H3/t19-,21-/m0/s1 | PDB
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| Article
PubMed
| 10.3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Displacement of [3H]paroxetine from 5HT transporter in rat cortical membrane |
J Med Chem 52: 4955-9 (2009)
Article DOI: 10.1021/jm900374r
BindingDB Entry DOI: 10.7270/Q2CZ376D |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat)) | BDBM50295063
((2S)-2-{[4-(6-Bromoquinolin-2-yl)piperazin-1-yl]me...)Show SMILES Cc1ccc2c3O[C@@H](CN4CCN(CC4)c4ccc5cc(Br)ccc5n4)COc3ccc2n1 |r| Show InChI InChI=1S/C26H25BrN4O2/c1-17-2-5-21-23(28-17)7-8-24-26(21)33-20(16-32-24)15-30-10-12-31(13-11-30)25-9-3-18-14-19(27)4-6-22(18)29-25/h2-9,14,20H,10-13,15-16H2,1H3/t20-/m0/s1 | PDB
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| Article
PubMed
| 12.7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Displacement of [3H]paroxetine from 5HT transporter in rat cortical membrane |
J Med Chem 52: 4955-9 (2009)
Article DOI: 10.1021/jm900374r
BindingDB Entry DOI: 10.7270/Q2CZ376D |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat)) | BDBM50295052
(2-(4-{[(2S)-8-Methyl-2,3-dihydro[1,4]dioxino[2,3-f...)Show SMILES Cc1ccc2c3O[C@@H](CN4CCN(CC4)c4ccc5cc(ccc5n4)C#N)COc3ccc2n1 |r| Show InChI InChI=1S/C27H25N5O2/c1-18-2-5-22-24(29-18)7-8-25-27(22)34-21(17-33-25)16-31-10-12-32(13-11-31)26-9-4-20-14-19(15-28)3-6-23(20)30-26/h2-9,14,21H,10-13,16-17H2,1H3/t21-/m0/s1 | PDB
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| Article
PubMed
| 13.8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Displacement of [3H]paroxetine from 5HT transporter in rat cortical membrane |
J Med Chem 52: 4955-9 (2009)
Article DOI: 10.1021/jm900374r
BindingDB Entry DOI: 10.7270/Q2CZ376D |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat)) | BDBM50295062
(2-(4-{[(2S)-8-Methyl-2,3-dihydro[1,4]dioxino[2,3-f...)Show SMILES Cc1ccc2c3O[C@@H](CN4CCN(CC4)c4ccc5cc(ccc5n4)C(N)=O)COc3ccc2n1 |r| Show InChI InChI=1S/C27H27N5O3/c1-17-2-5-21-23(29-17)7-8-24-26(21)35-20(16-34-24)15-31-10-12-32(13-11-31)25-9-4-18-14-19(27(28)33)3-6-22(18)30-25/h2-9,14,20H,10-13,15-16H2,1H3,(H2,28,33)/t20-/m0/s1 | PDB
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| 17 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Displacement of [3H]paroxetine from 5HT transporter in rat cortical membrane |
J Med Chem 52: 4955-9 (2009)
Article DOI: 10.1021/jm900374r
BindingDB Entry DOI: 10.7270/Q2CZ376D |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1A
(Homo sapiens (Human)) | BDBM50295063
((2S)-2-{[4-(6-Bromoquinolin-2-yl)piperazin-1-yl]me...)Show SMILES Cc1ccc2c3O[C@@H](CN4CCN(CC4)c4ccc5cc(Br)ccc5n4)COc3ccc2n1 |r| Show InChI InChI=1S/C26H25BrN4O2/c1-17-2-5-21-23(28-17)7-8-24-26(21)33-20(16-32-24)15-30-10-12-31(13-11-30)25-9-3-18-14-19(27)4-6-22(18)29-25/h2-9,14,20H,10-13,15-16H2,1H3/t20-/m0/s1 | PDB
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UniChem
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| Article
PubMed
| 17.2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in CHO cells |
J Med Chem 52: 4955-9 (2009)
Article DOI: 10.1021/jm900374r
BindingDB Entry DOI: 10.7270/Q2CZ376D |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50073839
(CHEMBL283066 | [4-(1,3-Dioxo-1,3-dihydro-isoindol-...)Show SMILES CC(C)C[C@@H](NC(=O)[C@H](CCc1ccccc1)CP(O)(=O)CCCCN1C(=O)c2ccccc2C1=O)C(=O)Nc1ccccc1 Show InChI InChI=1S/C35H42N3O6P/c1-25(2)23-31(33(40)36-28-15-7-4-8-16-28)37-32(39)27(20-19-26-13-5-3-6-14-26)24-45(43,44)22-12-11-21-38-34(41)29-17-9-10-18-30(29)35(38)42/h3-10,13-18,25,27,31H,11-12,19-24H2,1-2H3,(H,36,40)(H,37,39)(H,43,44)/t27-,31-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
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| CHEMBL
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PC sid
UniChem
Similars
| PubMed
| 20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc
Curated by ChEMBL
| Assay Description
Inhibition of recombinant matrix metalloprotease-2 (MMP-2) |
Bioorg Med Chem Lett 9: 127-32 (1999)
BindingDB Entry DOI: 10.7270/Q2JD4VZ4 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1A
(Homo sapiens (Human)) | BDBM50295066
((2S)-8-Methyl-2-{[4-(6-nitroquinolin-2-yl)piperazi...)Show SMILES Cc1ccc2c3O[C@@H](CN4CCN(CC4)c4ccc5cc(ccc5n4)[N+]([O-])=O)COc3ccc2n1 |r| Show InChI InChI=1S/C26H25N5O4/c1-17-2-5-21-23(27-17)7-8-24-26(21)35-20(16-34-24)15-29-10-12-30(13-11-29)25-9-3-18-14-19(31(32)33)4-6-22(18)28-25/h2-9,14,20H,10-13,15-16H2,1H3/t20-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in CHO cells |
J Med Chem 52: 4955-9 (2009)
Article DOI: 10.1021/jm900374r
BindingDB Entry DOI: 10.7270/Q2CZ376D |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat)) | BDBM50295058
((2S)-8-Methyl-2-{[(2R)-2-methyl-4-quinolin-2-ylpip...)Show SMILES C[C@@H]1CN(CCN1C[C@H]1COc2ccc3nc(C)ccc3c2O1)c1ccc2ccccc2n1 |r| Show InChI InChI=1S/C27H28N4O2/c1-18-7-9-22-24(28-18)10-11-25-27(22)33-21(17-32-25)16-30-13-14-31(15-19(30)2)26-12-8-20-5-3-4-6-23(20)29-26/h3-12,19,21H,13-17H2,1-2H3/t19-,21+/m1/s1 | PDB
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| CHEMBL
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Similars
| Article
PubMed
| 32.8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Displacement of [3H]paroxetine from 5HT transporter in rat cortical membrane |
J Med Chem 52: 4955-9 (2009)
Article DOI: 10.1021/jm900374r
BindingDB Entry DOI: 10.7270/Q2CZ376D |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1A
(Homo sapiens (Human)) | BDBM50295065
((2S)-2-{[4-(6-Fluoroquinolin-2-yl)piperazin-1-yl]m...)Show SMILES Cc1ccc2c3O[C@@H](CN4CCN(CC4)c4ccc5cc(F)ccc5n4)COc3ccc2n1 |r| Show InChI InChI=1S/C26H25FN4O2/c1-17-2-5-21-23(28-17)7-8-24-26(21)33-20(16-32-24)15-30-10-12-31(13-11-30)25-9-3-18-14-19(27)4-6-22(18)29-25/h2-9,14,20H,10-13,15-16H2,1H3/t20-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 32.9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in CHO cells |
J Med Chem 52: 4955-9 (2009)
Article DOI: 10.1021/jm900374r
BindingDB Entry DOI: 10.7270/Q2CZ376D |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1A
(Homo sapiens (Human)) | BDBM50295060
((2S)-8-Methyl-2-[(4-quinolin-2-ylpiperazin-1-yl)me...)Show SMILES Cc1ccc2c3O[C@@H](CN4CCN(CC4)c4ccc5ccccc5n4)COc3ccc2n1 |r| Show InChI InChI=1S/C26H26N4O2/c1-18-6-8-21-23(27-18)9-10-24-26(21)32-20(17-31-24)16-29-12-14-30(15-13-29)25-11-7-19-4-2-3-5-22(19)28-25/h2-11,20H,12-17H2,1H3/t20-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
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| CHEMBL
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PC sid
UniChem
Similars
| Article
PubMed
| 47.3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in CHO cells |
J Med Chem 52: 4955-9 (2009)
Article DOI: 10.1021/jm900374r
BindingDB Entry DOI: 10.7270/Q2CZ376D |
More data for this
Ligand-Target Pair | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50073823
(CHEMBL24871 | {4-[((S)-1-Acetyl-pyrrolidine-2-carb...)Show SMILES CC(C)C[C@@H](NC(=O)[C@H](CCc1ccccc1)CP(O)(=O)CCCCNC(=O)[C@@H]1CCCN1C(C)=O)C(=O)Nc1ccccc1 Show InChI InChI=1S/C34H49N4O6P/c1-25(2)23-30(33(41)36-29-15-8-5-9-16-29)37-32(40)28(19-18-27-13-6-4-7-14-27)24-45(43,44)22-11-10-20-35-34(42)31-17-12-21-38(31)26(3)39/h4-9,13-16,25,28,30-31H,10-12,17-24H2,1-3H3,(H,35,42)(H,36,41)(H,37,40)(H,43,44)/t28-,30-,31+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 62 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc
Curated by ChEMBL
| Assay Description
Inhibition of recombinant matrix metalloprotease-3 (MMP-3) |
Bioorg Med Chem Lett 9: 127-32 (1999)
BindingDB Entry DOI: 10.7270/Q2JD4VZ4 |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat)) | BDBM50295065
((2S)-2-{[4-(6-Fluoroquinolin-2-yl)piperazin-1-yl]m...)Show SMILES Cc1ccc2c3O[C@@H](CN4CCN(CC4)c4ccc5cc(F)ccc5n4)COc3ccc2n1 |r| Show InChI InChI=1S/C26H25FN4O2/c1-17-2-5-21-23(28-17)7-8-24-26(21)33-20(16-32-24)15-30-10-12-31(13-11-30)25-9-3-18-14-19(27)4-6-22(18)29-25/h2-9,14,20H,10-13,15-16H2,1H3/t20-/m0/s1 | PDB
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PubMed
| 66 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Displacement of [3H]paroxetine from 5HT transporter in rat cortical membrane |
J Med Chem 52: 4955-9 (2009)
Article DOI: 10.1021/jm900374r
BindingDB Entry DOI: 10.7270/Q2CZ376D |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat)) | BDBM50295060
((2S)-8-Methyl-2-[(4-quinolin-2-ylpiperazin-1-yl)me...)Show SMILES Cc1ccc2c3O[C@@H](CN4CCN(CC4)c4ccc5ccccc5n4)COc3ccc2n1 |r| Show InChI InChI=1S/C26H26N4O2/c1-18-6-8-21-23(27-18)9-10-24-26(21)32-20(17-31-24)16-29-12-14-30(15-13-29)25-11-7-19-4-2-3-5-22(19)28-25/h2-11,20H,12-17H2,1H3/t20-/m0/s1 | PDB
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PubMed
| 75 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Displacement of [3H]paroxetine from 5HT transporter in rat cortical membrane |
J Med Chem 52: 4955-9 (2009)
Article DOI: 10.1021/jm900374r
BindingDB Entry DOI: 10.7270/Q2CZ376D |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat)) | BDBM50295057
(2-((3R)-3-Methyl-4-{[(2S)-8-methyl-2,3-dihydro[1,4...)Show SMILES C[C@@H]1CN(CCN1C[C@H]1COc2ccc3nc(C)ccc3c2O1)c1ccc2cc(ccc2n1)C#N |r| Show InChI InChI=1S/C28H27N5O2/c1-18-3-6-23-25(30-18)8-9-26-28(23)35-22(17-34-26)16-32-11-12-33(15-19(32)2)27-10-5-21-13-20(14-29)4-7-24(21)31-27/h3-10,13,19,22H,11-12,15-17H2,1-2H3/t19-,22+/m1/s1 | PDB
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| 89.6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Displacement of [3H]paroxetine from 5HT transporter in rat cortical membrane |
J Med Chem 52: 4955-9 (2009)
Article DOI: 10.1021/jm900374r
BindingDB Entry DOI: 10.7270/Q2CZ376D |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat)) | BDBM50295061
((2S)-8-Methyl-2-({4-[6-(trifluoromethoxy)quinolin-...)Show SMILES Cc1ccc2c3O[C@@H](CN4CCN(CC4)c4ccc5cc(OC(F)(F)F)ccc5n4)COc3ccc2n1 |r| Show InChI InChI=1S/C27H25F3N4O3/c1-17-2-5-21-23(31-17)7-8-24-26(21)36-20(16-35-24)15-33-10-12-34(13-11-33)25-9-3-18-14-19(37-27(28,29)30)4-6-22(18)32-25/h2-9,14,20H,10-13,15-16H2,1H3/t20-/m0/s1 | PDB
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PubMed
| 149 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Displacement of [3H]paroxetine from 5HT transporter in rat cortical membrane |
J Med Chem 52: 4955-9 (2009)
Article DOI: 10.1021/jm900374r
BindingDB Entry DOI: 10.7270/Q2CZ376D |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1A
(Homo sapiens (Human)) | BDBM50295059
((2S)-8-Methyl-2-{[(2S)-2-methyl-4-quinolin-2-ylpip...)Show SMILES C[C@H]1CN(CCN1C[C@H]1COc2ccc3nc(C)ccc3c2O1)c1ccc2ccccc2n1 |r| Show InChI InChI=1S/C27H28N4O2/c1-18-7-9-22-24(28-18)10-11-25-27(22)33-21(17-32-25)16-30-13-14-31(15-19(30)2)26-12-8-20-5-3-4-6-23(20)29-26/h3-12,19,21H,13-17H2,1-2H3/t19-,21-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
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PC sid
UniChem
Similars
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PubMed
| 167 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in CHO cells |
J Med Chem 52: 4955-9 (2009)
Article DOI: 10.1021/jm900374r
BindingDB Entry DOI: 10.7270/Q2CZ376D |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1A
(Homo sapiens (Human)) | BDBM50295061
((2S)-8-Methyl-2-({4-[6-(trifluoromethoxy)quinolin-...)Show SMILES Cc1ccc2c3O[C@@H](CN4CCN(CC4)c4ccc5cc(OC(F)(F)F)ccc5n4)COc3ccc2n1 |r| Show InChI InChI=1S/C27H25F3N4O3/c1-17-2-5-21-23(31-17)7-8-24-26(21)36-20(16-35-24)15-33-10-12-34(13-11-33)25-9-3-18-14-19(37-27(28,29)30)4-6-22(18)32-25/h2-9,14,20H,10-13,15-16H2,1H3/t20-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
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PC sid
UniChem
Patents
Similars
| Article
PubMed
| 172 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in CHO cells |
J Med Chem 52: 4955-9 (2009)
Article DOI: 10.1021/jm900374r
BindingDB Entry DOI: 10.7270/Q2CZ376D |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1A
(Homo sapiens (Human)) | BDBM50295064
((2S)-2-{[4-(6-Chloroquinolin-2-yl)piperazin-1-yl]m...)Show SMILES Cc1ccc2c3O[C@@H](CN4CCN(CC4)c4ccc5cc(Cl)ccc5n4)COc3ccc2n1 |r| Show InChI InChI=1S/C26H25ClN4O2/c1-17-2-5-21-23(28-17)7-8-24-26(21)33-20(16-32-24)15-30-10-12-31(13-11-30)25-9-3-18-14-19(27)4-6-22(18)29-25/h2-9,14,20H,10-13,15-16H2,1H3/t20-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 214 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in CHO cells |
J Med Chem 52: 4955-9 (2009)
Article DOI: 10.1021/jm900374r
BindingDB Entry DOI: 10.7270/Q2CZ376D |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50295052
(2-(4-{[(2S)-8-Methyl-2,3-dihydro[1,4]dioxino[2,3-f...)Show SMILES Cc1ccc2c3O[C@@H](CN4CCN(CC4)c4ccc5cc(ccc5n4)C#N)COc3ccc2n1 |r| Show InChI InChI=1S/C27H25N5O2/c1-18-2-5-22-24(29-18)7-8-25-27(22)34-21(17-33-25)16-31-10-12-32(13-11-31)26-9-4-20-14-19(15-28)3-6-23(20)30-26/h2-9,14,21H,10-13,16-17H2,1H3/t21-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.31E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Displacement of [3H]spiperone from human dopamine D2 receptor expressed in CHO cells |
J Med Chem 52: 4955-9 (2009)
Article DOI: 10.1021/jm900374r
BindingDB Entry DOI: 10.7270/Q2CZ376D |
More data for this
Ligand-Target Pair | |
D(3) dopamine receptor
(Homo sapiens (Human)) | BDBM50295052
(2-(4-{[(2S)-8-Methyl-2,3-dihydro[1,4]dioxino[2,3-f...)Show SMILES Cc1ccc2c3O[C@@H](CN4CCN(CC4)c4ccc5cc(ccc5n4)C#N)COc3ccc2n1 |r| Show InChI InChI=1S/C27H25N5O2/c1-18-2-5-22-24(29-18)7-8-25-27(22)34-21(17-33-25)16-31-10-12-32(13-11-31)26-9-4-20-14-19(15-28)3-6-23(20)30-26/h2-9,14,21H,10-13,16-17H2,1H3/t21-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.32E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Displacement of [3H]spiperone from human dopamine D3 receptor expressed in CHO cells |
J Med Chem 52: 4955-9 (2009)
Article DOI: 10.1021/jm900374r
BindingDB Entry DOI: 10.7270/Q2CZ376D |
More data for this
Ligand-Target Pair | |
D(4) dopamine receptor
(Homo sapiens (Human)) | BDBM50295052
(2-(4-{[(2S)-8-Methyl-2,3-dihydro[1,4]dioxino[2,3-f...)Show SMILES Cc1ccc2c3O[C@@H](CN4CCN(CC4)c4ccc5cc(ccc5n4)C#N)COc3ccc2n1 |r| Show InChI InChI=1S/C27H25N5O2/c1-18-2-5-22-24(29-18)7-8-25-27(22)34-21(17-33-25)16-31-10-12-32(13-11-31)26-9-4-20-14-19(15-28)3-6-23(20)30-26/h2-9,14,21H,10-13,16-17H2,1H3/t21-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.42E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Displacement of [3H]spiperone from human dopamine D4 receptor expressed in CHO cells |
J Med Chem 52: 4955-9 (2009)
Article DOI: 10.1021/jm900374r
BindingDB Entry DOI: 10.7270/Q2CZ376D |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50224846
(4-(2-{4-[5-(6,8,10-trioxo-1,7,9-triaza-spiro[4.5]d...)Show SMILES O=C1NC(=O)C2(CCCN2c2ccc(Oc3ccc(cc3)-c3nc(co3)-c3ccc(cc3)C#N)nc2)C(=O)N1 Show InChI InChI=1S/C28H20N6O5/c29-14-17-2-4-18(5-3-17)22-16-38-24(31-22)19-6-9-21(10-7-19)39-23-11-8-20(15-30-23)34-13-1-12-28(34)25(35)32-27(37)33-26(28)36/h2-11,15-16H,1,12-13H2,(H2,32,33,35,36,37) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 0.0500 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research & Development
Curated by ChEMBL
| Assay Description
Inhibition of MMP13 |
Bioorg Med Chem Lett 17: 6529-34 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.085
BindingDB Entry DOI: 10.7270/Q2ZW1KMR |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50224838
(1-{6-[4-(6-fluoro-1H-benzoimidazol-2-yl)-phenoxy]-...)Show SMILES Fc1ccc2nc([nH]c2c1)-c1ccc(Oc2ccc(cn2)N2CCCC22C(=O)NC(=O)NC2=O)cc1 Show InChI InChI=1S/C25H19FN6O4/c26-15-4-8-18-19(12-15)29-21(28-18)14-2-6-17(7-3-14)36-20-9-5-16(13-27-20)32-11-1-10-25(32)22(33)30-24(35)31-23(25)34/h2-9,12-13H,1,10-11H2,(H,28,29)(H2,30,31,33,34,35) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.0800 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research & Development
Curated by ChEMBL
| Assay Description
Inhibition of MMP13 |
Bioorg Med Chem Lett 17: 6529-34 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.085
BindingDB Entry DOI: 10.7270/Q2ZW1KMR |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50224842
(1-(6-{4-[4-(3-fluoro-phenyl)-oxazol-2-yl]-phenoxy}...)Show SMILES Fc1cccc(c1)-c1coc(n1)-c1ccc(Oc2ccc(cn2)N2CCCC22C(=O)NC(=O)NC2=O)cc1 Show InChI InChI=1S/C27H20FN5O5/c28-18-4-1-3-17(13-18)21-15-37-23(30-21)16-5-8-20(9-6-16)38-22-10-7-19(14-29-22)33-12-2-11-27(33)24(34)31-26(36)32-25(27)35/h1,3-10,13-15H,2,11-12H2,(H2,31,32,34,35,36) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 0.0900 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research & Development
Curated by ChEMBL
| Assay Description
Inhibition of MMP13 |
Bioorg Med Chem Lett 17: 6529-34 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.085
BindingDB Entry DOI: 10.7270/Q2ZW1KMR |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50224852
(1-{6-[4-(6-chloro-1H-benzoimidazol-2-yl)-phenoxy]-...)Show SMILES Clc1ccc2nc([nH]c2c1)-c1ccc(Oc2ccc(cn2)N2CCCC22C(=O)NC(=O)NC2=O)cc1 Show InChI InChI=1S/C25H19ClN6O4/c26-15-4-8-18-19(12-15)29-21(28-18)14-2-6-17(7-3-14)36-20-9-5-16(13-27-20)32-11-1-10-25(32)22(33)30-24(35)31-23(25)34/h2-9,12-13H,1,10-11H2,(H,28,29)(H2,30,31,33,34,35) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.100 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research & Development
Curated by ChEMBL
| Assay Description
Inhibition of MMP13 |
Bioorg Med Chem Lett 17: 6529-34 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.085
BindingDB Entry DOI: 10.7270/Q2ZW1KMR |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50224856
(1-{6-[4-(1H-benzoimidazol-2-yl)-phenoxy]-pyridin-3...)Show SMILES O=C1NC(=O)C2(CCCN2c2ccc(Oc3ccc(cc3)-c3nc4ccccc4[nH]3)nc2)C(=O)N1 Show InChI InChI=1S/C25H20N6O4/c32-22-25(23(33)30-24(34)29-22)12-3-13-31(25)16-8-11-20(26-14-16)35-17-9-6-15(7-10-17)21-27-18-4-1-2-5-19(18)28-21/h1-2,4-11,14H,3,12-13H2,(H,27,28)(H2,29,30,32,33,34) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.110 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research & Development
Curated by ChEMBL
| Assay Description
Inhibition of MMP13 |
Bioorg Med Chem Lett 17: 6529-34 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.085
BindingDB Entry DOI: 10.7270/Q2ZW1KMR |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50224847
(3-(2-{4-[5-(6,8,10-trioxo-1,7,9-triaza-spiro[4.5]d...)Show SMILES O=C1NC(=O)C2(CCCN2c2ccc(Oc3ccc(cc3)-c3nc(co3)-c3cccc(c3)C#N)nc2)C(=O)N1 Show InChI InChI=1S/C28H20N6O5/c29-14-17-3-1-4-19(13-17)22-16-38-24(31-22)18-5-8-21(9-6-18)39-23-10-7-20(15-30-23)34-12-2-11-28(34)25(35)32-27(37)33-26(28)36/h1,3-10,13,15-16H,2,11-12H2,(H2,32,33,35,36,37) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 0.110 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research & Development
Curated by ChEMBL
| Assay Description
Inhibition of MMP13 |
Bioorg Med Chem Lett 17: 6529-34 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.085
BindingDB Entry DOI: 10.7270/Q2ZW1KMR |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50224837
(1-(6-{4-[4-(4-fluoro-phenyl)-oxazol-2-yl]-phenoxy}...)Show SMILES Fc1ccc(cc1)-c1coc(n1)-c1ccc(Oc2ccc(cn2)N2CCCC22C(=O)NC(=O)NC2=O)cc1 Show InChI InChI=1S/C27H20FN5O5/c28-18-6-2-16(3-7-18)21-15-37-23(30-21)17-4-9-20(10-5-17)38-22-11-8-19(14-29-22)33-13-1-12-27(33)24(34)31-26(36)32-25(27)35/h2-11,14-15H,1,12-13H2,(H2,31,32,34,35,36) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 0.120 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research & Development
Curated by ChEMBL
| Assay Description
Inhibition of MMP13 |
Bioorg Med Chem Lett 17: 6529-34 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.085
BindingDB Entry DOI: 10.7270/Q2ZW1KMR |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50224857
(1-(6-{4-[4-(2-fluoro-phenyl)-oxazol-2-yl]-phenoxy}...)Show SMILES Fc1ccccc1-c1coc(n1)-c1ccc(Oc2ccc(cn2)N2CCCC22C(=O)NC(=O)NC2=O)cc1 Show InChI InChI=1S/C27H20FN5O5/c28-20-5-2-1-4-19(20)21-15-37-23(30-21)16-6-9-18(10-7-16)38-22-11-8-17(14-29-22)33-13-3-12-27(33)24(34)31-26(36)32-25(27)35/h1-2,4-11,14-15H,3,12-13H2,(H2,31,32,34,35,36) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 0.160 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research & Development
Curated by ChEMBL
| Assay Description
Inhibition of MMP13 |
Bioorg Med Chem Lett 17: 6529-34 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.085
BindingDB Entry DOI: 10.7270/Q2ZW1KMR |
More data for this
Ligand-Target Pair | |
Macrophage metalloelastase
(Homo sapiens (Human)) | BDBM50148216
(4-[4-(4-Fluoro-phenoxy)-benzenesulfonylamino]-tetr...)Show SMILES ONC(=O)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1 Show InChI InChI=1S/C18H19FN2O6S/c19-13-1-3-14(4-2-13)27-15-5-7-16(8-6-15)28(24,25)21-18(17(22)20-23)9-11-26-12-10-18/h1-8,21,23H,9-12H2,(H,20,22) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 0.240 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of matrix metalloprotease-12 |
Bioorg Med Chem Lett 14: 3389-95 (2004)
Article DOI: 10.1016/j.bmcl.2004.04.083
BindingDB Entry DOI: 10.7270/Q25Q4WPN |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50148208
(3-[4-(4-Fluoro-phenoxy)-benzenesulfonylamino]-8-ox...)Show SMILES ONC(=O)C1(CC2CCC(C1)O2)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1 Show InChI InChI=1S/C20H21FN2O6S/c21-13-1-3-14(4-2-13)28-15-7-9-18(10-8-15)30(26,27)23-20(19(24)22-25)11-16-5-6-17(12-20)29-16/h1-4,7-10,16-17,23,25H,5-6,11-12H2,(H,22,24) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 0.260 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of matrix metalloprotease-2 |
Bioorg Med Chem Lett 14: 3389-95 (2004)
Article DOI: 10.1016/j.bmcl.2004.04.083
BindingDB Entry DOI: 10.7270/Q25Q4WPN |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(Homo sapiens (Human)) | BDBM50040666
(1-((R)-5-Cyclohexyl-1-methyl-2-oxo-2,3-dihydro-1H-...)Show SMILES CN1c2ccccc2C(=N[C@@H](NC(=O)Nc2cccc(C)c2)C1=O)C1CCCCC1 |c:9| Show InChI InChI=1S/C24H28N4O2/c1-16-9-8-12-18(15-16)25-24(30)27-22-23(29)28(2)20-14-7-6-13-19(20)21(26-22)17-10-4-3-5-11-17/h6-9,12-15,17,22H,3-5,10-11H2,1-2H3,(H2,25,27,30)/t22-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 0.280 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
In vitro test for inhibition of [125I]-CCK binding to Cholecystokinin type B receptor from guinea pig cortical membranes was determined |
Bioorg Med Chem Lett 3: 1919-1924 (1993)
Article DOI: 10.1016/S0960-894X(01)80987-2
BindingDB Entry DOI: 10.7270/Q23J3CWD |
More data for this
Ligand-Target Pair | |
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