Found 532 hits from Duke University 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 |
UDP-3-O-acyl-N-acetylglucosamine deacetylase
(Escherichia coli) | BDBM50493081
(CHEMBL2420205)Show SMILES C[C@@](O)([C@H](NC(=O)c1ccc(cc1)C#CC#Cc1ccc(N)cc1)C(=O)NO)c1c[nH]nn1 |r| Show InChI InChI=1S/C23H20N6O4/c1-23(32,19-14-25-29-27-19)20(22(31)28-33)26-21(30)17-10-6-15(7-11-17)4-2-3-5-16-8-12-18(24)13-9-16/h6-14,20,32-33H,24H2,1H3,(H,26,30)(H,28,31)(H,25,27,29)/t20-,23+/m1/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 0.0240 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Duke University
Curated by ChEMBL
| Assay Description Inhibition of Escherichia coli LpxC enzyme using UDP-3-O-[(R)-3-hydroxymyristoyl]-N-acetyl glucosamine and [gamma-32P] UDP-3-O-[(R)-3-hydroxymyristoy... |
J Med Chem 56: 6954-6966 (2013)
Article DOI: 10.1021/jm4007774 BindingDB Entry DOI: 10.7270/Q28K7D11 |
More data for this Ligand-Target Pair | |
UDP-3-O-acyl-N-acetylglucosamine deacetylase
(Escherichia coli) | BDBM50493080
(CHEMBL2420203)Show SMILES C[C@@](O)([C@H](NC(=O)c1ccc(cc1)C#CC#Cc1ccc(N)cc1)C(=O)NO)c1ccc(O)cc1 |r| Show InChI InChI=1S/C27H23N3O5/c1-27(34,21-12-16-23(31)17-13-21)24(26(33)30-35)29-25(32)20-10-6-18(7-11-20)4-2-3-5-19-8-14-22(28)15-9-19/h6-17,24,31,34-35H,28H2,1H3,(H,29,32)(H,30,33)/t24-,27+/m1/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| PC cid PC sid PDB UniChem
| Article PubMed
| 0.0240 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Duke University
Curated by ChEMBL
| Assay Description Inhibition of Escherichia coli LpxC enzyme using UDP-3-O-[(R)-3-hydroxymyristoyl]-N-acetyl glucosamine and [gamma-32P] UDP-3-O-[(R)-3-hydroxymyristoy... |
J Med Chem 56: 6954-6966 (2013)
Article DOI: 10.1021/jm4007774 BindingDB Entry DOI: 10.7270/Q28K7D11 |
More data for this Ligand-Target Pair | |
Alpha-1A adrenergic receptor
(Homo sapiens (Human)) | BDBM29568
(CHEMBL2 | PRAZOSIN | PRAZOSIN HYDROCHLORIDE | [3H]...)Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)c1ccco1 Show InChI InChI=1S/C19H21N5O4/c1-26-15-10-12-13(11-16(15)27-2)21-19(22-17(12)20)24-7-5-23(6-8-24)18(25)14-4-3-9-28-14/h3-4,9-11H,5-8H2,1-2H3,(H2,20,21,22) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
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| DrugBank PubMed
| 0.0300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Duke University
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 272: 134-42 (1995)
BindingDB Entry DOI: 10.7270/Q2ZC81CG |
More data for this Ligand-Target Pair | |
Alpha-1A adrenergic receptor
(Rattus norvegicus (Rat)) | BDBM29568
(CHEMBL2 | PRAZOSIN | PRAZOSIN HYDROCHLORIDE | [3H]...)Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)c1ccco1 Show InChI InChI=1S/C19H21N5O4/c1-26-15-10-12-13(11-16(15)27-2)21-19(22-17(12)20)24-7-5-23(6-8-24)18(25)14-4-3-9-28-14/h3-4,9-11H,5-8H2,1-2H3,(H2,20,21,22) | PDB
KEGG
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| PubMed
| 0.0700 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Duke University
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 272: 134-42 (1995)
BindingDB Entry DOI: 10.7270/Q2ZC81CG |
More data for this Ligand-Target Pair | |
D(1B) dopamine receptor
(RAT) | BDBM82247
(8-Chloro-3-methyl-5-phenyl-2,3,4,5-tetrahydro-1H-b...)Show InChI InChI=1S/C17H18ClNO/c1-19-8-7-13-9-16(18)17(20)10-14(13)15(11-19)12-5-3-2-4-6-12/h2-6,9-10,15,20H,7-8,11H2,1H3/t15-/m1/s1 | KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Similars
| Article PubMed
| 0.110 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Duke University
Curated by PDSP Ki Database
| |
Proc Natl Acad Sci U S A 88: 7491-5 (1991)
Article DOI: 10.1073/pnas.88.17.7491 BindingDB Entry DOI: 10.7270/Q2DB80B9 |
More data for this Ligand-Target Pair | |
Alpha-1A adrenergic receptor
(Homo sapiens (Human)) | BDBM29568
(CHEMBL2 | PRAZOSIN | PRAZOSIN HYDROCHLORIDE | [3H]...)Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)c1ccco1 Show InChI InChI=1S/C19H21N5O4/c1-26-15-10-12-13(11-16(15)27-2)21-19(22-17(12)20)24-7-5-23(6-8-24)18(25)14-4-3-9-28-14/h3-4,9-11H,5-8H2,1-2H3,(H2,20,21,22) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
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| DrugBank PubMed
| 0.120 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Duke University
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 272: 134-42 (1995)
BindingDB Entry DOI: 10.7270/Q2ZC81CG |
More data for this Ligand-Target Pair | |
Alpha-1B adrenergic receptor
(HAMSTER) | BDBM29568
(CHEMBL2 | PRAZOSIN | PRAZOSIN HYDROCHLORIDE | [3H]...)Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)c1ccco1 Show InChI InChI=1S/C19H21N5O4/c1-26-15-10-12-13(11-16(15)27-2)21-19(22-17(12)20)24-7-5-23(6-8-24)18(25)14-4-3-9-28-14/h3-4,9-11H,5-8H2,1-2H3,(H2,20,21,22) | UniProtKB/SwissProt
GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
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| PubMed
| 0.120 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Duke University
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 272: 134-42 (1995)
BindingDB Entry DOI: 10.7270/Q2ZC81CG |
More data for this Ligand-Target Pair | |
D(1A) dopamine receptor
(Homo sapiens (Human)) | BDBM82247
(8-Chloro-3-methyl-5-phenyl-2,3,4,5-tetrahydro-1H-b...)Show InChI InChI=1S/C17H18ClNO/c1-19-8-7-13-9-16(18)17(20)10-14(13)15(11-19)12-5-3-2-4-6-12/h2-6,9-10,15,20H,7-8,11H2,1H3/t15-/m1/s1 | PDB
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DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL MCE PC cid PC sid UniChem
Similars
| Article PubMed
| 0.170 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Duke University
Curated by PDSP Ki Database
| |
Proc Natl Acad Sci U S A 88: 7491-5 (1991)
Article DOI: 10.1073/pnas.88.17.7491 BindingDB Entry DOI: 10.7270/Q2DB80B9 |
More data for this Ligand-Target Pair | |
Alpha-1A adrenergic receptor
(Homo sapiens (Human)) | BDBM29568
(CHEMBL2 | PRAZOSIN | PRAZOSIN HYDROCHLORIDE | [3H]...)Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)c1ccco1 Show InChI InChI=1S/C19H21N5O4/c1-26-15-10-12-13(11-16(15)27-2)21-19(22-17(12)20)24-7-5-23(6-8-24)18(25)14-4-3-9-28-14/h3-4,9-11H,5-8H2,1-2H3,(H2,20,21,22) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
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| DrugBank PubMed
| 0.310 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Duke University
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 272: 134-42 (1995)
BindingDB Entry DOI: 10.7270/Q2ZC81CG |
More data for this Ligand-Target Pair | |
Alpha-1A adrenergic receptor
(Rattus norvegicus (Rat)) | BDBM29568
(CHEMBL2 | PRAZOSIN | PRAZOSIN HYDROCHLORIDE | [3H]...)Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)c1ccco1 Show InChI InChI=1S/C19H21N5O4/c1-26-15-10-12-13(11-16(15)27-2)21-19(22-17(12)20)24-7-5-23(6-8-24)18(25)14-4-3-9-28-14/h3-4,9-11H,5-8H2,1-2H3,(H2,20,21,22) | PDB
KEGG
UniProtKB/SwissProt
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CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
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| PubMed
| 0.330 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Duke University
Curated by PDSP Ki Database
| |
J Biol Chem 266: 6365-9 (1991)
BindingDB Entry DOI: 10.7270/Q2X928SG |
More data for this Ligand-Target Pair | |
Alpha-1A adrenergic receptor
(CALF) | BDBM29568
(CHEMBL2 | PRAZOSIN | PRAZOSIN HYDROCHLORIDE | [3H]...)Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)c1ccco1 Show InChI InChI=1S/C19H21N5O4/c1-26-15-10-12-13(11-16(15)27-2)21-19(22-17(12)20)24-7-5-23(6-8-24)18(25)14-4-3-9-28-14/h3-4,9-11H,5-8H2,1-2H3,(H2,20,21,22) | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
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CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PubMed
| 0.370 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Duke University
Curated by PDSP Ki Database
| |
J Biol Chem 266: 6365-9 (1991)
BindingDB Entry DOI: 10.7270/Q2X928SG |
More data for this Ligand-Target Pair | |
Solute carrier family 22 member 1
(BOVINE) | BDBM29568
(CHEMBL2 | PRAZOSIN | PRAZOSIN HYDROCHLORIDE | [3H]...)Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)c1ccco1 Show InChI InChI=1S/C19H21N5O4/c1-26-15-10-12-13(11-16(15)27-2)21-19(22-17(12)20)24-7-5-23(6-8-24)18(25)14-4-3-9-28-14/h3-4,9-11H,5-8H2,1-2H3,(H2,20,21,22) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
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| PubMed
| 0.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Duke University
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 272: 134-42 (1995)
BindingDB Entry DOI: 10.7270/Q2ZC81CG |
More data for this Ligand-Target Pair | |
UDP-3-O-acyl-N-acetylglucosamine deacetylase
(Escherichia coli) | BDBM50200120
(CHEMBL260091 | CHIR-090 | US10875832, Compound ChI...)Show SMILES C[C@@H](O)[C@H](NC(=O)c1ccc(cc1)C#Cc1ccc(CN2CCOCC2)cc1)C(=O)NO |r| Show InChI InChI=1S/C24H27N3O5/c1-17(28)22(24(30)26-31)25-23(29)21-10-8-19(9-11-21)3-2-18-4-6-20(7-5-18)16-27-12-14-32-15-13-27/h4-11,17,22,28,31H,12-16H2,1H3,(H,25,29)(H,26,30)/t17-,22+/m1/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
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CHEMBL MCE PC cid PC sid PDB UniChem
| Article PubMed
| 0.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Duke University
Curated by ChEMBL
| Assay Description Inhibition of Escherichia coli LpxC enzyme |
J Med Chem 56: 6954-6966 (2013)
Article DOI: 10.1021/jm4007774 BindingDB Entry DOI: 10.7270/Q28K7D11 |
More data for this Ligand-Target Pair | |
Alpha-1B adrenergic receptor
(Rattus norvegicus (rat)) | BDBM29568
(CHEMBL2 | PRAZOSIN | PRAZOSIN HYDROCHLORIDE | [3H]...)Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)c1ccco1 Show InChI InChI=1S/C19H21N5O4/c1-26-15-10-12-13(11-16(15)27-2)21-19(22-17(12)20)24-7-5-23(6-8-24)18(25)14-4-3-9-28-14/h3-4,9-11H,5-8H2,1-2H3,(H2,20,21,22) | Reactome pathway
UniProtKB/SwissProt
GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
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| PubMed
| 0.560 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Duke University
Curated by PDSP Ki Database
| |
J Biol Chem 266: 6365-9 (1991)
BindingDB Entry DOI: 10.7270/Q2X928SG |
More data for this Ligand-Target Pair | |
Solute carrier family 22 member 1
(BOVINE) | BDBM81444
(CAS_185453 | NSC_185453 | WB 4101 | WB-4101)Show InChI InChI=1S/C25H27NO5/c1-27-21-13-8-14-22(28-2)25(21)29-16-15-26-17-23-24(18-9-4-3-5-10-18)31-20-12-7-6-11-19(20)30-23/h3-14,23-24,26H,15-17H2,1-2H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
Patents
Similars
| PubMed
| 0.630 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Duke University
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 272: 134-42 (1995)
BindingDB Entry DOI: 10.7270/Q2ZC81CG |
More data for this Ligand-Target Pair | |
D(1A) dopamine receptor
(Homo sapiens (Human)) | BDBM81490
(CAS_60197-32-2 | CIS PIFLUTIXOL | NSC_68714 | Pifl...)Show SMILES OCCC1CCN(CCC=C2c3ccc(F)cc3Sc3ccc(cc23)C(F)(F)F)CC1 |w:9.8| Show InChI InChI=1S/C24H25F4NOS/c25-18-4-5-20-19(2-1-10-29-11-7-16(8-12-29)9-13-30)21-14-17(24(26,27)28)3-6-22(21)31-23(20)15-18/h2-6,14-16,30H,1,7-13H2 | PDB
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| 0.650 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Duke University
Curated by PDSP Ki Database
| |
Proc Natl Acad Sci U S A 88: 7491-5 (1991)
Article DOI: 10.1073/pnas.88.17.7491 BindingDB Entry DOI: 10.7270/Q2DB80B9 |
More data for this Ligand-Target Pair | |
Alpha-1A adrenergic receptor
(CALF) | BDBM81444
(CAS_185453 | NSC_185453 | WB 4101 | WB-4101)Show InChI InChI=1S/C25H27NO5/c1-27-21-13-8-14-22(28-2)25(21)29-16-15-26-17-23-24(18-9-4-3-5-10-18)31-20-12-7-6-11-19(20)30-23/h3-14,23-24,26H,15-17H2,1-2H3 | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
Patents
Similars
| PubMed
| 0.680 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Duke University
Curated by PDSP Ki Database
| |
J Biol Chem 266: 6365-9 (1991)
BindingDB Entry DOI: 10.7270/Q2X928SG |
More data for this Ligand-Target Pair | |
D(1A) dopamine receptor
(Homo sapiens (Human)) | BDBM50008735
((+)-3-(tert-butyl)-(3S,4aS,13bS)-2,3,4,4a,8,9,13b,...)Show SMILES CC(C)(C)[C@]1(O)CCN2C[C@H]3c4ccccc4CCc4cccc([C@@H]2C1)c34 Show InChI InChI=1S/C25H31NO/c1-24(2,3)25(27)13-14-26-16-21-19-9-5-4-7-17(19)11-12-18-8-6-10-20(23(18)21)22(26)15-25/h4-10,21-22,27H,11-16H2,1-3H3/t21-,22-,25-/m0/s1 | PDB
KEGG
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Similars
| Article PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Duke University
Curated by PDSP Ki Database
| |
Proc Natl Acad Sci U S A 88: 7491-5 (1991)
Article DOI: 10.1073/pnas.88.17.7491 BindingDB Entry DOI: 10.7270/Q2DB80B9 |
More data for this Ligand-Target Pair | |
Alpha-1A adrenergic receptor
(Homo sapiens (Human)) | BDBM81444
(CAS_185453 | NSC_185453 | WB 4101 | WB-4101)Show InChI InChI=1S/C25H27NO5/c1-27-21-13-8-14-22(28-2)25(21)29-16-15-26-17-23-24(18-9-4-3-5-10-18)31-20-12-7-6-11-19(20)30-23/h3-14,23-24,26H,15-17H2,1-2H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Patents
Similars
| PubMed
| 1.25 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Duke University
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 272: 134-42 (1995)
BindingDB Entry DOI: 10.7270/Q2ZC81CG |
More data for this Ligand-Target Pair | |
Alpha-1A adrenergic receptor
(Homo sapiens (Human)) | BDBM81444
(CAS_185453 | NSC_185453 | WB 4101 | WB-4101)Show InChI InChI=1S/C25H27NO5/c1-27-21-13-8-14-22(28-2)25(21)29-16-15-26-17-23-24(18-9-4-3-5-10-18)31-20-12-7-6-11-19(20)30-23/h3-14,23-24,26H,15-17H2,1-2H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Patents
Similars
| PubMed
| 1.25 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Duke University
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 272: 134-42 (1995)
BindingDB Entry DOI: 10.7270/Q2ZC81CG |
More data for this Ligand-Target Pair | |
Alpha-1A adrenergic receptor
(Rattus norvegicus (Rat)) | BDBM81444
(CAS_185453 | NSC_185453 | WB 4101 | WB-4101)Show InChI InChI=1S/C25H27NO5/c1-27-21-13-8-14-22(28-2)25(21)29-16-15-26-17-23-24(18-9-4-3-5-10-18)31-20-12-7-6-11-19(20)30-23/h3-14,23-24,26H,15-17H2,1-2H3 | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
Patents
Similars
| PubMed
| 1.25 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Duke University
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 272: 134-42 (1995)
BindingDB Entry DOI: 10.7270/Q2ZC81CG |
More data for this Ligand-Target Pair | |
Solute carrier family 22 member 1
(BOVINE) | BDBM50033312
(Benzyl-(6-chloro-2-imidazol-1-yl-quinazolin-4-yl)-...)Show InChI InChI=1S/C18H14ClN5/c19-14-6-7-16-15(10-14)17(21-11-13-4-2-1-3-5-13)23-18(22-16)24-9-8-20-12-24/h1-10,12H,11H2,(H,21,22,23) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 1.99 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Duke University
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 272: 134-42 (1995)
BindingDB Entry DOI: 10.7270/Q2ZC81CG |
More data for this Ligand-Target Pair | |
D(1B) dopamine receptor
(RAT) | BDBM81490
(CAS_60197-32-2 | CIS PIFLUTIXOL | NSC_68714 | Pifl...)Show SMILES OCCC1CCN(CCC=C2c3ccc(F)cc3Sc3ccc(cc23)C(F)(F)F)CC1 |w:9.8| Show InChI InChI=1S/C24H25F4NOS/c25-18-4-5-20-19(2-1-10-29-11-7-16(8-12-29)9-13-30)21-14-17(24(26,27)28)3-6-22(21)31-23(20)15-18/h2-6,14-16,30H,1,7-13H2 | KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Duke University
Curated by PDSP Ki Database
| |
Proc Natl Acad Sci U S A 88: 7491-5 (1991)
Article DOI: 10.1073/pnas.88.17.7491 BindingDB Entry DOI: 10.7270/Q2DB80B9 |
More data for this Ligand-Target Pair | |
Alpha-1A adrenergic receptor
(Rattus norvegicus (Rat)) | BDBM81444
(CAS_185453 | NSC_185453 | WB 4101 | WB-4101)Show InChI InChI=1S/C25H27NO5/c1-27-21-13-8-14-22(28-2)25(21)29-16-15-26-17-23-24(18-9-4-3-5-10-18)31-20-12-7-6-11-19(20)30-23/h3-14,23-24,26H,15-17H2,1-2H3 | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
Patents
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| PubMed
| 2.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Duke University
Curated by PDSP Ki Database
| |
J Biol Chem 266: 6365-9 (1991)
BindingDB Entry DOI: 10.7270/Q2X928SG |
More data for this Ligand-Target Pair | |
Alpha-1B adrenergic receptor
(HAMSTER) | BDBM50033111
(1-(4-Amino-6,7-dimethoxy-2-quinazolinyl)-4-((tetra...)Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 Show InChI InChI=1S/C19H25N5O4/c1-26-15-10-12-13(11-16(15)27-2)21-19(22-17(12)20)24-7-5-23(6-8-24)18(25)14-4-3-9-28-14/h10-11,14H,3-9H2,1-2H3,(H2,20,21,22) | UniProtKB/SwissProt
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| PubMed
| 3.16 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Duke University
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 272: 134-42 (1995)
BindingDB Entry DOI: 10.7270/Q2ZC81CG |
More data for this Ligand-Target Pair | |
Alpha-1A adrenergic receptor
(Homo sapiens (Human)) | BDBM50033312
(Benzyl-(6-chloro-2-imidazol-1-yl-quinazolin-4-yl)-...)Show InChI InChI=1S/C18H14ClN5/c19-14-6-7-16-15(10-14)17(21-11-13-4-2-1-3-5-13)23-18(22-16)24-9-8-20-12-24/h1-10,12H,11H2,(H,21,22,23) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 3.16 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Duke University
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 272: 134-42 (1995)
BindingDB Entry DOI: 10.7270/Q2ZC81CG |
More data for this Ligand-Target Pair | |
Alpha-1A adrenergic receptor
(Homo sapiens (Human)) | BDBM50033111
(1-(4-Amino-6,7-dimethoxy-2-quinazolinyl)-4-((tetra...)Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 Show InChI InChI=1S/C19H25N5O4/c1-26-15-10-12-13(11-16(15)27-2)21-19(22-17(12)20)24-7-5-23(6-8-24)18(25)14-4-3-9-28-14/h10-11,14H,3-9H2,1-2H3,(H2,20,21,22) | PDB
Reactome pathway KEGG
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| DrugBank PubMed
| 3.98 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Duke University
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 272: 134-42 (1995)
BindingDB Entry DOI: 10.7270/Q2ZC81CG |
More data for this Ligand-Target Pair | |
Alpha-1A adrenergic receptor
(Homo sapiens (Human)) | BDBM50033111
(1-(4-Amino-6,7-dimethoxy-2-quinazolinyl)-4-((tetra...)Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 Show InChI InChI=1S/C19H25N5O4/c1-26-15-10-12-13(11-16(15)27-2)21-19(22-17(12)20)24-7-5-23(6-8-24)18(25)14-4-3-9-28-14/h10-11,14H,3-9H2,1-2H3,(H2,20,21,22) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
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| DrugBank PubMed
| 3.98 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Duke University
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 272: 134-42 (1995)
BindingDB Entry DOI: 10.7270/Q2ZC81CG |
More data for this Ligand-Target Pair | |
D(1A) dopamine receptor
(Homo sapiens (Human)) | BDBM50026957
((cis) 2-{4-[3-(2-Trifluoromethyl-thioxanthen-9-yli...)Show SMILES OCCN1CCN(CC\C=C2/c3ccccc3Sc3ccc(cc23)C(F)(F)F)CC1 Show InChI InChI=1S/C23H25F3N2OS/c24-23(25,26)17-7-8-22-20(16-17)18(19-4-1-2-6-21(19)30-22)5-3-9-27-10-12-28(13-11-27)14-15-29/h1-2,4-8,16,29H,3,9-15H2/b18-5+ | PDB
KEGG
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Similars
| Article PubMed
| 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Duke University
Curated by PDSP Ki Database
| |
Proc Natl Acad Sci U S A 88: 7491-5 (1991)
Article DOI: 10.1073/pnas.88.17.7491 BindingDB Entry DOI: 10.7270/Q2DB80B9 |
More data for this Ligand-Target Pair | |
Alpha-1A adrenergic receptor
(Rattus norvegicus (Rat)) | BDBM50033111
(1-(4-Amino-6,7-dimethoxy-2-quinazolinyl)-4-((tetra...)Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 Show InChI InChI=1S/C19H25N5O4/c1-26-15-10-12-13(11-16(15)27-2)21-19(22-17(12)20)24-7-5-23(6-8-24)18(25)14-4-3-9-28-14/h10-11,14H,3-9H2,1-2H3,(H2,20,21,22) | PDB
KEGG
UniProtKB/SwissProt
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| 5.01 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Duke University
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 272: 134-42 (1995)
BindingDB Entry DOI: 10.7270/Q2ZC81CG |
More data for this Ligand-Target Pair | |
D(1B) dopamine receptor
(RAT) | BDBM50008735
((+)-3-(tert-butyl)-(3S,4aS,13bS)-2,3,4,4a,8,9,13b,...)Show SMILES CC(C)(C)[C@]1(O)CCN2C[C@H]3c4ccccc4CCc4cccc([C@@H]2C1)c34 Show InChI InChI=1S/C25H31NO/c1-24(2,3)25(27)13-14-26-16-21-19-9-5-4-7-17(19)11-12-18-8-6-10-20(23(18)21)22(26)15-25/h4-10,21-22,27H,11-16H2,1-3H3/t21-,22-,25-/m0/s1 | KEGG
UniProtKB/SwissProt
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| Article PubMed
| 6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Duke University
Curated by PDSP Ki Database
| |
Proc Natl Acad Sci U S A 88: 7491-5 (1991)
Article DOI: 10.1073/pnas.88.17.7491 BindingDB Entry DOI: 10.7270/Q2DB80B9 |
More data for this Ligand-Target Pair | |
D(1B) dopamine receptor
(RAT) | BDBM50026957
((cis) 2-{4-[3-(2-Trifluoromethyl-thioxanthen-9-yli...)Show SMILES OCCN1CCN(CC\C=C2/c3ccccc3Sc3ccc(cc23)C(F)(F)F)CC1 Show InChI InChI=1S/C23H25F3N2OS/c24-23(25,26)17-7-8-22-20(16-17)18(19-4-1-2-6-21(19)30-22)5-3-9-27-10-12-28(13-11-27)14-15-29/h1-2,4-8,16,29H,3,9-15H2/b18-5+ | KEGG
UniProtKB/SwissProt
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MCE PC cid PC sid UniChem
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| Article PubMed
| 7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Duke University
Curated by PDSP Ki Database
| |
Proc Natl Acad Sci U S A 88: 7491-5 (1991)
Article DOI: 10.1073/pnas.88.17.7491 BindingDB Entry DOI: 10.7270/Q2DB80B9 |
More data for this Ligand-Target Pair | |
Alpha-1A adrenergic receptor
(Homo sapiens (Human)) | BDBM82424
(CAS_1236 | NSC_1236 | Niguldipine(+))Show SMILES COC(=O)C1C(C(C(=O)OCCCN2CCC(CC2)(c2ccccc2)c2ccccc2)=C(C)N=C1C)c1cccc(c1)[N+]([O-])=O |c:36,t:33| Show InChI InChI=1S/C36H39N3O6/c1-25-31(34(40)44-3)33(27-12-10-17-30(24-27)39(42)43)32(26(2)37-25)35(41)45-23-11-20-38-21-18-36(19-22-38,28-13-6-4-7-14-28)29-15-8-5-9-16-29/h4-10,12-17,24,31,33H,11,18-23H2,1-3H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Patents
Similars
| PubMed
| 7.94 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Duke University
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 272: 134-42 (1995)
BindingDB Entry DOI: 10.7270/Q2ZC81CG |
More data for this Ligand-Target Pair | |
Alpha-1B adrenergic receptor
(HAMSTER) | BDBM81444
(CAS_185453 | NSC_185453 | WB 4101 | WB-4101)Show InChI InChI=1S/C25H27NO5/c1-27-21-13-8-14-22(28-2)25(21)29-16-15-26-17-23-24(18-9-4-3-5-10-18)31-20-12-7-6-11-19(20)30-23/h3-14,23-24,26H,15-17H2,1-2H3 | UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
Patents
Similars
| PubMed
| 7.94 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Duke University
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 272: 134-42 (1995)
BindingDB Entry DOI: 10.7270/Q2ZC81CG |
More data for this Ligand-Target Pair | |
D(1B) dopamine receptor
(RAT) | BDBM82247
(8-Chloro-3-methyl-5-phenyl-2,3,4,5-tetrahydro-1H-b...)Show InChI InChI=1S/C17H18ClNO/c1-19-8-7-13-9-16(18)17(20)10-14(13)15(11-19)12-5-3-2-4-6-12/h2-6,9-10,15,20H,7-8,11H2,1H3/t15-/m1/s1 | KEGG
UniProtKB/SwissProt
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CHEMBL MCE PC cid PC sid UniChem
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| Article PubMed
| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Duke University
Curated by PDSP Ki Database
| |
Proc Natl Acad Sci U S A 88: 7491-5 (1991)
Article DOI: 10.1073/pnas.88.17.7491 BindingDB Entry DOI: 10.7270/Q2DB80B9 |
More data for this Ligand-Target Pair | |
Solute carrier family 22 member 1
(BOVINE) | BDBM82424
(CAS_1236 | NSC_1236 | Niguldipine(+))Show SMILES COC(=O)C1C(C(C(=O)OCCCN2CCC(CC2)(c2ccccc2)c2ccccc2)=C(C)N=C1C)c1cccc(c1)[N+]([O-])=O |c:36,t:33| Show InChI InChI=1S/C36H39N3O6/c1-25-31(34(40)44-3)33(27-12-10-17-30(24-27)39(42)43)32(26(2)37-25)35(41)45-23-11-20-38-21-18-36(19-22-38,28-13-6-4-7-14-28)29-15-8-5-9-16-29/h4-10,12-17,24,31,33H,11,18-23H2,1-3H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
Patents
Similars
| PubMed
| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Duke University
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 272: 134-42 (1995)
BindingDB Entry DOI: 10.7270/Q2ZC81CG |
More data for this Ligand-Target Pair | |
Alpha-1A adrenergic receptor
(Homo sapiens (Human)) | BDBM81444
(CAS_185453 | NSC_185453 | WB 4101 | WB-4101)Show InChI InChI=1S/C25H27NO5/c1-27-21-13-8-14-22(28-2)25(21)29-16-15-26-17-23-24(18-9-4-3-5-10-18)31-20-12-7-6-11-19(20)30-23/h3-14,23-24,26H,15-17H2,1-2H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Patents
Similars
| PubMed
| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Duke University
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 272: 134-42 (1995)
BindingDB Entry DOI: 10.7270/Q2ZC81CG |
More data for this Ligand-Target Pair | |
D(1B) dopamine receptor
(RAT) | BDBM60917
(9-chloranyl-5-(4-hydroxyphenyl)-2,3,4,5-tetrahydro...)Show InChI InChI=1S/C16H16ClNO3/c17-15-11-5-6-18-8-13(9-1-3-10(19)4-2-9)12(11)7-14(20)16(15)21/h1-4,7,13,18-21H,5-6,8H2 | KEGG
UniProtKB/SwissProt
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| Article PubMed
| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Duke University
Curated by PDSP Ki Database
| |
Proc Natl Acad Sci U S A 88: 7491-5 (1991)
Article DOI: 10.1073/pnas.88.17.7491 BindingDB Entry DOI: 10.7270/Q2DB80B9 |
More data for this Ligand-Target Pair | |
Solute carrier family 22 member 1
(BOVINE) | BDBM31046
(3-[4,5-dihydro-1H-imidazol-2-ylmethyl-(4-methylphe...)Show InChI InChI=1S/C17H19N3O/c1-13-5-7-14(8-6-13)20(12-17-18-9-10-19-17)15-3-2-4-16(21)11-15/h2-8,11,21H,9-10,12H2,1H3,(H,18,19) | PDB
Reactome pathway KEGG
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| PubMed
| 12.6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Duke University
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 272: 134-42 (1995)
BindingDB Entry DOI: 10.7270/Q2ZC81CG |
More data for this Ligand-Target Pair | |
D(1A) dopamine receptor
(Homo sapiens (Human)) | BDBM82247
(8-Chloro-3-methyl-5-phenyl-2,3,4,5-tetrahydro-1H-b...)Show InChI InChI=1S/C17H18ClNO/c1-19-8-7-13-9-16(18)17(20)10-14(13)15(11-19)12-5-3-2-4-6-12/h2-6,9-10,15,20H,7-8,11H2,1H3/t15-/m1/s1 | PDB
KEGG
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| Article PubMed
| 15 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Duke University
Curated by PDSP Ki Database
| |
Proc Natl Acad Sci U S A 88: 7491-5 (1991)
Article DOI: 10.1073/pnas.88.17.7491 BindingDB Entry DOI: 10.7270/Q2DB80B9 |
More data for this Ligand-Target Pair | |
Alpha-1A adrenergic receptor
(CALF) | BDBM31046
(3-[4,5-dihydro-1H-imidazol-2-ylmethyl-(4-methylphe...)Show InChI InChI=1S/C17H19N3O/c1-13-5-7-14(8-6-13)20(12-17-18-9-10-19-17)15-3-2-4-16(21)11-15/h2-8,11,21H,9-10,12H2,1H3,(H,18,19) | PDB
KEGG
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| PubMed
| 15.3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Duke University
Curated by PDSP Ki Database
| |
J Biol Chem 266: 6365-9 (1991)
BindingDB Entry DOI: 10.7270/Q2X928SG |
More data for this Ligand-Target Pair | |
Alpha-1A adrenergic receptor
(Homo sapiens (Human)) | BDBM30712
(6-tert-butyl-3-(2-imidazolin-2-ylmethyl)-2,4-dimet...)Show InChI InChI=1S/C16H24N2O/c1-10-8-13(16(3,4)5)15(19)11(2)12(10)9-14-17-6-7-18-14/h8,19H,6-7,9H2,1-5H3,(H,17,18) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
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| DrugBank PubMed
| 15.8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Duke University
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 272: 134-42 (1995)
BindingDB Entry DOI: 10.7270/Q2ZC81CG |
More data for this Ligand-Target Pair | |
D(1A) dopamine receptor
(Homo sapiens (Human)) | BDBM60917
(9-chloranyl-5-(4-hydroxyphenyl)-2,3,4,5-tetrahydro...)Show InChI InChI=1S/C16H16ClNO3/c17-15-11-5-6-18-8-13(9-1-3-10(19)4-2-9)12(11)7-14(20)16(15)21/h1-4,7,13,18-21H,5-6,8H2 | PDB
KEGG
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| 17 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Duke University
Curated by PDSP Ki Database
| |
Proc Natl Acad Sci U S A 88: 7491-5 (1991)
Article DOI: 10.1073/pnas.88.17.7491 BindingDB Entry DOI: 10.7270/Q2DB80B9 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Alpha-1A adrenergic receptor
(Rattus norvegicus (Rat)) | BDBM31046
(3-[4,5-dihydro-1H-imidazol-2-ylmethyl-(4-methylphe...)Show InChI InChI=1S/C17H19N3O/c1-13-5-7-14(8-6-13)20(12-17-18-9-10-19-17)15-3-2-4-16(21)11-15/h2-8,11,21H,9-10,12H2,1H3,(H,18,19) | PDB
KEGG
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| PubMed
| 19.9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Duke University
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 272: 134-42 (1995)
BindingDB Entry DOI: 10.7270/Q2ZC81CG |
More data for this Ligand-Target Pair | |
Alpha-1A adrenergic receptor
(Homo sapiens (Human)) | BDBM31046
(3-[4,5-dihydro-1H-imidazol-2-ylmethyl-(4-methylphe...)Show InChI InChI=1S/C17H19N3O/c1-13-5-7-14(8-6-13)20(12-17-18-9-10-19-17)15-3-2-4-16(21)11-15/h2-8,11,21H,9-10,12H2,1H3,(H,18,19) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
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| DrugBank PubMed
| 19.9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Duke University
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 272: 134-42 (1995)
BindingDB Entry DOI: 10.7270/Q2ZC81CG |
More data for this Ligand-Target Pair | |
D(1A) dopamine receptor
(Homo sapiens (Human)) | BDBM21398
(4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...)Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2 | PDB
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank Article PubMed
| 24 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Duke University
Curated by PDSP Ki Database
| |
Proc Natl Acad Sci U S A 88: 7491-5 (1991)
Article DOI: 10.1073/pnas.88.17.7491 BindingDB Entry DOI: 10.7270/Q2DB80B9 |
More data for this Ligand-Target Pair | |
D(1A) dopamine receptor
(Homo sapiens (Human)) | BDBM81485
(CAS_68751 | CIS TEFLUTIXOL | NSC_68751 | Teflutixo...)Show SMILES OCCN1CCN(CCCC2c3ccc(F)cc3Sc3ccc(cc23)C(F)(F)F)CC1 Show InChI InChI=1S/C23H26F4N2OS/c24-17-4-5-19-18(2-1-7-28-8-10-29(11-9-28)12-13-30)20-14-16(23(25,26)27)3-6-21(20)31-22(19)15-17/h3-6,14-15,18,30H,1-2,7-13H2 | PDB
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Patents
| Article PubMed
| 24 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Duke University
Curated by PDSP Ki Database
| |
Proc Natl Acad Sci U S A 88: 7491-5 (1991)
Article DOI: 10.1073/pnas.88.17.7491 BindingDB Entry DOI: 10.7270/Q2DB80B9 |
More data for this Ligand-Target Pair | |
Solute carrier family 22 member 1
(BOVINE) | BDBM30712
(6-tert-butyl-3-(2-imidazolin-2-ylmethyl)-2,4-dimet...)Show InChI InChI=1S/C16H24N2O/c1-10-8-13(16(3,4)5)15(19)11(2)12(10)9-14-17-6-7-18-14/h8,19H,6-7,9H2,1-5H3,(H,17,18) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
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DrugBank KEGG PC cid PC sid PDB UniChem
Similars
| PubMed
| 25.1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Duke University
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 272: 134-42 (1995)
BindingDB Entry DOI: 10.7270/Q2ZC81CG |
More data for this Ligand-Target Pair | |
Alpha-1A adrenergic receptor
(Homo sapiens (Human)) | BDBM50033111
(1-(4-Amino-6,7-dimethoxy-2-quinazolinyl)-4-((tetra...)Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1 Show InChI InChI=1S/C19H25N5O4/c1-26-15-10-12-13(11-16(15)27-2)21-19(22-17(12)20)24-7-5-23(6-8-24)18(25)14-4-3-9-28-14/h10-11,14H,3-9H2,1-2H3,(H2,20,21,22) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank PubMed
| 25.1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Duke University
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 272: 134-42 (1995)
BindingDB Entry DOI: 10.7270/Q2ZC81CG |
More data for this Ligand-Target Pair | |
Alpha-1A adrenergic receptor
(Homo sapiens (Human)) | BDBM21397
(8-[4-(4-fluorophenyl)-4-keto-butyl]-1-phenyl-1,3,8...)Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)N(CNC2=O)c1ccccc1 Show InChI InChI=1S/C23H26FN3O2/c24-19-10-8-18(9-11-19)21(28)7-4-14-26-15-12-23(13-16-26)22(29)25-17-27(23)20-5-2-1-3-6-20/h1-3,5-6,8-11H,4,7,12-17H2,(H,25,29) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid PDB UniChem
Patents
Similars
| PubMed
| 25.1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Duke University
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 272: 134-42 (1995)
BindingDB Entry DOI: 10.7270/Q2ZC81CG |
More data for this Ligand-Target Pair | |