Found 11 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 |
|---|
Adenosine receptor A1
(BOVINE) | BDBM50006730
((R)-2-Hydroxymethyl-5-[6-(1-methyl-2-phenyl-ethyla...)Show SMILES CC(Cc1ccccc1)Nc1ncnc2n(cnc12)C1OC(CO)C(O)C1O Show InChI InChI=1S/C19H23N5O4/c1-11(7-12-5-3-2-4-6-12)23-17-14-18(21-9-20-17)24(10-22-14)19-16(27)15(26)13(8-25)28-19/h2-6,9-11,13,15-16,19,25-27H,7-8H2,1H3,(H,20,21,23) | PDB
Reactome pathway
KEGG
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CHEMBL
PC cid
PC sid
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Similars
| PubMed
| 18.2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Whitby Research, Inc.
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 265: 227-36 (1993)
BindingDB Entry DOI: 10.7270/Q23J3BGM |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(Rattus norvegicus (rat)) | BDBM50006730
((R)-2-Hydroxymethyl-5-[6-(1-methyl-2-phenyl-ethyla...)Show SMILES CC(Cc1ccccc1)Nc1ncnc2n(cnc12)C1OC(CO)C(O)C1O Show InChI InChI=1S/C19H23N5O4/c1-11(7-12-5-3-2-4-6-12)23-17-14-18(21-9-20-17)24(10-22-14)19-16(27)15(26)13(8-25)28-19/h2-6,9-11,13,15-16,19,25-27H,7-8H2,1H3,(H,20,21,23) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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CHEMBL
PC cid
PC sid
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| PubMed
| 380 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Whitby Research, Inc.
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 265: 227-36 (1993)
BindingDB Entry DOI: 10.7270/Q23J3BGM |
More data for this
Ligand-Target Pair | |
Adenosine receptor A1
(GUINEA PIG) | BDBM50006730
((R)-2-Hydroxymethyl-5-[6-(1-methyl-2-phenyl-ethyla...)Show SMILES CC(Cc1ccccc1)Nc1ncnc2n(cnc12)C1OC(CO)C(O)C1O Show InChI InChI=1S/C19H23N5O4/c1-11(7-12-5-3-2-4-6-12)23-17-14-18(21-9-20-17)24(10-22-14)19-16(27)15(26)13(8-25)28-19/h2-6,9-11,13,15-16,19,25-27H,7-8H2,1H3,(H,20,21,23) | PDB
UniProtKB/SwissProt
GoogleScholar
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PC cid
PC sid
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| 1.95E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Whitby Research, Inc.
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 265: 227-36 (1993)
BindingDB Entry DOI: 10.7270/Q23J3BGM |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2b
(BOVINE) | BDBM50009525
(2-CI Adenosine | 2-Chloroadenosine | 2-Chloroado |...)Show SMILES Nc1nc(Cl)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C10H12ClN5O4/c11-10-14-7(12)4-8(15-10)16(2-13-4)9-6(19)5(18)3(1-17)20-9/h2-3,5-6,9,17-19H,1H2,(H2,12,14,15)/t3-,5-,6-,9-/m1/s1 | Reactome pathway
KEGG
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| 6.92E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Whitby Research, Inc.
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 265: 227-36 (1993)
BindingDB Entry DOI: 10.7270/Q23J3BGM |
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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DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Whitby Research, Inc.
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 265: 227-36 (1993)
BindingDB Entry DOI: 10.7270/Q23J3BGM |
More data for this
Ligand-Target Pair | |
Beta-2 adrenergic receptor
(Rattus norvegicus) | BDBM25761
(Anapriline | Avlocardyl | CHEMBL27 | PROPANOLOL(-)...)Show InChI InChI=1S/C16H21NO2/c1-12(2)17-10-14(18)11-19-16-9-5-7-13-6-3-4-8-15(13)16/h3-9,12,14,17-18H,10-11H2,1-2H3 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
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| Purchase
CHEMBL
DrugBank
MCE
KEGG
PC cid
PC sid
PDB
UniChem
Patents
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| PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Whitby Research, Inc.
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 265: 227-36 (1993)
BindingDB Entry DOI: 10.7270/Q23J3BGM |
More data for this
Ligand-Target Pair | |
D(1A) dopamine receptor
(BOVINE) | 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
Reactome pathway
KEGG
UniProtKB/SwissProt
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| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Whitby Research, Inc.
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 265: 227-36 (1993)
BindingDB Entry DOI: 10.7270/Q23J3BGM |
More data for this
Ligand-Target Pair | |
Adenosine receptor A2a
(GUINEA PIG) | BDBM50009525
(2-CI Adenosine | 2-Chloroadenosine | 2-Chloroado |...)Show SMILES Nc1nc(Cl)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C10H12ClN5O4/c11-10-14-7(12)4-8(15-10)16(2-13-4)9-6(19)5(18)3(1-17)20-9/h2-3,5-6,9,17-19H,1H2,(H2,12,14,15)/t3-,5-,6-,9-/m1/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Whitby Research, Inc.
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 265: 227-36 (1993)
BindingDB Entry DOI: 10.7270/Q23J3BGM |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(RAT) | BDBM86231
(ATR | ATROPINE | Atropine,(-) | CAS_51-55-8 | CHEM...)Show SMILES CN1C2CCC1CC(C2)OC(=O)C(CO)c1ccccc1 |THB:9:7:1:3.4| Show InChI InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3 | PDB
Reactome pathway
KEGG
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| Purchase
CHEMBL
MCE
KEGG
PC cid
PC sid
PDB
UniChem
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| PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Whitby Research, Inc.
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 265: 227-36 (1993)
BindingDB Entry DOI: 10.7270/Q23J3BGM |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(BOVINE) | 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
UniProtKB/SwissProt
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PC cid
PC sid
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| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Whitby Research, Inc.
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 265: 227-36 (1993)
BindingDB Entry DOI: 10.7270/Q23J3BGM |
More data for this
Ligand-Target Pair | |
Alpha-2C adrenergic receptor
(RAT) | BDBM35234
(DL-[7-3H]norepinephrine | NOREPINEPHRINE | Noradre...)Show InChI InChI=1S/C8H11NO3/c9-4-8(12)5-1-2-6(10)7(11)3-5/h1-3,8,10-12H,4,9H2 | PDB
Reactome pathway
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MCE
PC cid
PC sid
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UniChem
Patents
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| PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Whitby Research, Inc.
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 265: 227-36 (1993)
BindingDB Entry DOI: 10.7270/Q23J3BGM |
More data for this
Ligand-Target Pair | |
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