Found 7979 hits with Last Name = 'park' and Initial = 'm' 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 |
|---|
neuronal acetylcholine receptor subunit alpha-2
(Xenopus) | BDBM86041
(NFEP)Show SMILES Fc1ccc(cn1)[C@H]1CC2CCC1N2 |r,TLB:4:7:10.11:13| Show InChI InChI=1S/C11H13FN2/c12-11-4-1-7(6-13-11)9-5-8-2-3-10(9)14-8/h1,4,6,8-10,14H,2-3,5H2/t8?,9-,10?/m1/s1 | PDB
Reactome pathway
UniProtKB/TrEMBL
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.00240 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Miami
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 302: 1246-52 (2002)
Article DOI: 10.1124/jpet.102.035899
BindingDB Entry DOI: 10.7270/Q2HQ3XG3 |
More data for this
Ligand-Target Pair | |
cholinergic receptor, nicotinic, alpha 1 (Muscle) isoform X1
(Xenopus) | BDBM86042
(NEP)Show InChI InChI=1S/C11H14N2/c1-2-8(7-12-5-1)10-6-9-3-4-11(10)13-9/h1-2,5,7,9-11,13H,3-4,6H2/t9?,10-,11?/m1/s1 | PDB
UniProtKB/TrEMBL
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.00310 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Miami
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 302: 1246-52 (2002)
Article DOI: 10.1124/jpet.102.035899
BindingDB Entry DOI: 10.7270/Q2HQ3XG3 |
More data for this
Ligand-Target Pair | |
cholinergic receptor, nicotinic, alpha 1 (Muscle) isoform X1
(Xenopus) | BDBM86041
(NFEP)Show SMILES Fc1ccc(cn1)[C@H]1CC2CCC1N2 |r,TLB:4:7:10.11:13| Show InChI InChI=1S/C11H13FN2/c12-11-4-1-7(6-13-11)9-5-8-2-3-10(9)14-8/h1,4,6,8-10,14H,2-3,5H2/t8?,9-,10?/m1/s1 | PDB
UniProtKB/TrEMBL
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.00380 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Miami
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 302: 1246-52 (2002)
Article DOI: 10.1124/jpet.102.035899
BindingDB Entry DOI: 10.7270/Q2HQ3XG3 |
More data for this
Ligand-Target Pair | |
cholinergic receptor, nicotinic, alpha 1 (Muscle) isoform X1
(Xenopus) | BDBM86040
(NBEP)Show SMILES Brc1ccc(cn1)[C@H]1CC2CCC1N2 |r,TLB:4:7:10.11:13| Show InChI InChI=1S/C11H13BrN2/c12-11-4-1-7(6-13-11)9-5-8-2-3-10(9)14-8/h1,4,6,8-10,14H,2-3,5H2/t8?,9-,10?/m1/s1 | PDB
UniProtKB/TrEMBL
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.00400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Miami
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 302: 1246-52 (2002)
Article DOI: 10.1124/jpet.102.035899
BindingDB Entry DOI: 10.7270/Q2HQ3XG3 |
More data for this
Ligand-Target Pair | |
neuronal acetylcholine receptor subunit alpha-4
(Xenopus) | BDBM86042
(NEP)Show InChI InChI=1S/C11H14N2/c1-2-8(7-12-5-1)10-6-9-3-4-11(10)13-9/h1-2,5,7,9-11,13H,3-4,6H2/t9?,10-,11?/m1/s1 | PDB
UniProtKB/TrEMBL
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.00850 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Miami
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 302: 1246-52 (2002)
Article DOI: 10.1124/jpet.102.035899
BindingDB Entry DOI: 10.7270/Q2HQ3XG3 |
More data for this
Ligand-Target Pair | |
neuronal acetylcholine receptor subunit alpha-4
(Xenopus) | BDBM86041
(NFEP)Show SMILES Fc1ccc(cn1)[C@H]1CC2CCC1N2 |r,TLB:4:7:10.11:13| Show InChI InChI=1S/C11H13FN2/c12-11-4-1-7(6-13-11)9-5-8-2-3-10(9)14-8/h1,4,6,8-10,14H,2-3,5H2/t8?,9-,10?/m1/s1 | PDB
UniProtKB/TrEMBL
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.00920 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Miami
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 302: 1246-52 (2002)
Article DOI: 10.1124/jpet.102.035899
BindingDB Entry DOI: 10.7270/Q2HQ3XG3 |
More data for this
Ligand-Target Pair | |
neuronal acetylcholine receptor subunit alpha-4
(Xenopus) | BDBM86040
(NBEP)Show SMILES Brc1ccc(cn1)[C@H]1CC2CCC1N2 |r,TLB:4:7:10.11:13| Show InChI InChI=1S/C11H13BrN2/c12-11-4-1-7(6-13-11)9-5-8-2-3-10(9)14-8/h1,4,6,8-10,14H,2-3,5H2/t8?,9-,10?/m1/s1 | PDB
UniProtKB/TrEMBL
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.0100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Miami
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 302: 1246-52 (2002)
Article DOI: 10.1124/jpet.102.035899
BindingDB Entry DOI: 10.7270/Q2HQ3XG3 |
More data for this
Ligand-Target Pair | |
neuronal acetylcholine receptor subunit alpha-2
(Xenopus) | BDBM86040
(NBEP)Show SMILES Brc1ccc(cn1)[C@H]1CC2CCC1N2 |r,TLB:4:7:10.11:13| Show InChI InChI=1S/C11H13BrN2/c12-11-4-1-7(6-13-11)9-5-8-2-3-10(9)14-8/h1,4,6,8-10,14H,2-3,5H2/t8?,9-,10?/m1/s1 | PDB
Reactome pathway
UniProtKB/TrEMBL
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.0130 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Miami
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 302: 1246-52 (2002)
Article DOI: 10.1124/jpet.102.035899
BindingDB Entry DOI: 10.7270/Q2HQ3XG3 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Homo sapiens (Human)) | BDBM50068612
(2-(8-Bromo-benzo[1,2-b;4,5-b']difuran-4-yl)-1-meth...)Show InChI InChI=1S/C13H12BrNO2/c1-7(15)6-10-8-2-4-17-13(8)11(14)9-3-5-16-12(9)10/h2-5,7H,6,15H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 0.0200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Purdue University
Curated by ChEMBL
| Assay Description
Binding activity against cloned human 5-hydroxytryptamine 2C receptor using [125I]-DOI as the radioligand. |
J Med Chem 41: 5148-9 (1999)
Article DOI: 10.1021/jm9803525
BindingDB Entry DOI: 10.7270/Q2862FKX |
More data for this
Ligand-Target Pair | |
neuronal acetylcholine receptor subunit alpha-2
(Xenopus) | BDBM86042
(NEP)Show InChI InChI=1S/C11H14N2/c1-2-8(7-12-5-1)10-6-9-3-4-11(10)13-9/h1-2,5,7,9-11,13H,3-4,6H2/t9?,10-,11?/m1/s1 | PDB
Reactome pathway
UniProtKB/TrEMBL
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.0280 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Miami
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 302: 1246-52 (2002)
Article DOI: 10.1124/jpet.102.035899
BindingDB Entry DOI: 10.7270/Q2HQ3XG3 |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50288406
(1-(2-Acetylamino-3-phenyl-propionyl)-pyrrolidine-2...)Show SMILES CC(=O)N[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)B(O)O Show InChI InChI=1S/C21H33BN6O5/c1-14(29)26-16(13-15-7-3-2-4-8-15)20(31)28-12-6-9-17(28)19(30)27-18(22(32)33)10-5-11-25-21(23)24/h2-4,7-8,16-18,32-33H,5-6,9-13H2,1H3,(H,26,29)(H,27,30)(H4,23,24,25)/t16-,17+,18+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
| 0.0400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of thrombin |
Bioorg Med Chem Lett 7: 1595-1600 (1997)
Article DOI: 10.1016/S0960-894X(97)00254-0
BindingDB Entry DOI: 10.7270/Q2VQ32PJ |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM50068612
(2-(8-Bromo-benzo[1,2-b;4,5-b']difuran-4-yl)-1-meth...)Show InChI InChI=1S/C13H12BrNO2/c1-7(15)6-10-8-2-4-17-13(8)11(14)9-3-5-16-12(9)10/h2-5,7H,6,15H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 0.0400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Purdue University
Curated by ChEMBL
| Assay Description
Binding activity against cloned human 5-hydroxytryptamine 2A receptor using [125I]-DOI as the radioligand. |
J Med Chem 41: 5148-9 (1999)
Article DOI: 10.1021/jm9803525
BindingDB Entry DOI: 10.7270/Q2862FKX |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50451005
(CHEMBL290376 | DuP-714)Show SMILES CC(=O)N[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)B(O)O |r| Show InChI InChI=1S/C21H33BN6O5/c1-14(29)26-16(13-15-7-3-2-4-8-15)20(31)28-12-6-9-17(28)19(30)27-18(22(32)33)10-5-11-25-21(23)24/h2-4,7-8,16-18,32-33H,5-6,9-13H2,1H3,(H,26,29)(H,27,30)(H4,23,24,25)/t16-,17+,18+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| PDB
PubMed
| 0.0420 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
DuPont Pharmaceuticals Company
Curated by ChEMBL
| Assay Description
Inhibition of Coagulation factor II |
Bioorg Med Chem Lett 9: 925-30 (1999)
BindingDB Entry DOI: 10.7270/Q2KS6QQ6 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Cholinergic receptor, nicotinic alpha 1
(Xenopus) | BDBM86040
(NBEP)Show SMILES Brc1ccc(cn1)[C@H]1CC2CCC1N2 |r,TLB:4:7:10.11:13| Show InChI InChI=1S/C11H13BrN2/c12-11-4-1-7(6-13-11)9-5-8-2-3-10(9)14-8/h1,4,6,8-10,14H,2-3,5H2/t8?,9-,10?/m1/s1 | PDB
UniProtKB/TrEMBL
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.0440 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Miami
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 302: 1246-52 (2002)
Article DOI: 10.1124/jpet.102.035899
BindingDB Entry DOI: 10.7270/Q2HQ3XG3 |
More data for this
Ligand-Target Pair | |
Serine protease 1
(Homo sapiens (Human)) | BDBM50288406
(1-(2-Acetylamino-3-phenyl-propionyl)-pyrrolidine-2...)Show SMILES CC(=O)N[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)B(O)O Show InChI InChI=1S/C21H33BN6O5/c1-14(29)26-16(13-15-7-3-2-4-8-15)20(31)28-12-6-9-17(28)19(30)27-18(22(32)33)10-5-11-25-21(23)24/h2-4,7-8,16-18,32-33H,5-6,9-13H2,1H3,(H,26,29)(H,27,30)(H4,23,24,25)/t16-,17+,18+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| Article
| 0.0450 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of trypsin |
Bioorg Med Chem Lett 7: 1595-1600 (1997)
Article DOI: 10.1016/S0960-894X(97)00254-0
BindingDB Entry DOI: 10.7270/Q2VQ32PJ |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 4
(Homo sapiens (Human)) | BDBM50185364
(CHEMBL2371908 | CHEMBL415187 | Sub[-Tyr-Arg-Leu-Ar...)Show SMILES [#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-[#6]-[#6]-[#6]-[#6@H](-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](-[#8])=O Show InChI InChI=1S/C80H122N24O18/c1-43(2)37-59(71(115)95-57(15-9-35-93-79(87)88)69(113)103-63(75(119)120)41-47-21-29-51(107)30-22-47)101-67(111)55(13-7-33-91-77(83)84)97-73(117)61(39-45-17-25-49(105)26-18-45)99-65(109)53(81)11-5-6-12-54(82)66(110)100-62(40-46-19-27-50(106)28-20-46)74(118)98-56(14-8-34-92-78(85)86)68(112)102-60(38-44(3)4)72(116)96-58(16-10-36-94-80(89)90)70(114)104-64(76(121)122)42-48-23-31-52(108)32-24-48/h17-32,43-44,53-64,105-108H,5-16,33-42,81-82H2,1-4H3,(H,95,115)(H,96,116)(H,97,117)(H,98,118)(H,99,109)(H,100,110)(H,101,111)(H,102,112)(H,103,113)(H,104,114)(H,119,120)(H,121,122)(H4,83,84,91)(H4,85,86,92)(H4,87,88,93)(H4,89,90,94)/t53?,54?,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.0500 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Cincinnati
Curated by ChEMBL
| Assay Description
Displacement of [125I]hPP from human NPY4 receptor expressed in CHO cells |
J Med Chem 49: 2661-5 (2006)
Article DOI: 10.1021/jm050907d
BindingDB Entry DOI: 10.7270/Q2XS5TZ9 |
More data for this
Ligand-Target Pair | |
neuronal acetylcholine receptor subunit alpha-2
(Xenopus) | BDBM86040
(NBEP)Show SMILES Brc1ccc(cn1)[C@H]1CC2CCC1N2 |r,TLB:4:7:10.11:13| Show InChI InChI=1S/C11H13BrN2/c12-11-4-1-7(6-13-11)9-5-8-2-3-10(9)14-8/h1,4,6,8-10,14H,2-3,5H2/t8?,9-,10?/m1/s1 | PDB
Reactome pathway
UniProtKB/TrEMBL
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.0550 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Miami
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 302: 1246-52 (2002)
Article DOI: 10.1124/jpet.102.035899
BindingDB Entry DOI: 10.7270/Q2HQ3XG3 |
More data for this
Ligand-Target Pair | |
neuronal acetylcholine receptor subunit alpha-2
(Xenopus) | BDBM86045
(NNEP)Show SMILES Nc1ccc(cn1)[C@H]1CC2CCC1N2 |r,TLB:4:7:10.11:13| Show InChI InChI=1S/C11H15N3/c12-11-4-1-7(6-13-11)9-5-8-2-3-10(9)14-8/h1,4,6,8-10,14H,2-3,5H2,(H2,12,13)/t8?,9-,10?/m1/s1 | PDB
Reactome pathway
UniProtKB/TrEMBL
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.0620 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Miami
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 302: 1246-52 (2002)
Article DOI: 10.1124/jpet.102.035899
BindingDB Entry DOI: 10.7270/Q2HQ3XG3 |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 1
(Homo sapiens (Human)) | BDBM50409214
(CHEMBL2110365 | GR-231118)Show SMILES CC[C@H](C)[C@H](N)C(=O)N[C@H]1CCC(=O)NC[C@H](NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCC(=O)NC[C@H](NC(=O)[C@@H]2CCCN2C1=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)NC(=O)[C@@H](N)[C@@H](C)CC)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O Show InChI InChI=1S/C110H170N34O24/c1-9-59(7)87(111)103(165)133-73-39-41-85(149)127-55-81(99(161)139-79(53-63-27-35-67(147)36-28-63)97(159)131-71(19-13-45-125-109(119)120)93(155)137-77(49-57(3)4)95(157)129-69(17-11-43-123-107(115)116)91(153)135-75(89(113)151)51-61-23-31-65(145)32-24-61)142-102(164)84-22-16-48-144(84)106(168)74(134-104(166)88(112)60(8)10-2)40-42-86(150)128-56-82(141-101(163)83-21-15-47-143(83)105(73)167)100(162)140-80(54-64-29-37-68(148)38-30-64)98(160)132-72(20-14-46-126-110(121)122)94(156)138-78(50-58(5)6)96(158)130-70(18-12-44-124-108(117)118)92(154)136-76(90(114)152)52-62-25-33-66(146)34-26-62/h23-38,57-60,69-84,87-88,145-148H,9-22,39-56,111-112H2,1-8H3,(H2,113,151)(H2,114,152)(H,127,149)(H,128,150)(H,129,157)(H,130,158)(H,131,159)(H,132,160)(H,133,165)(H,134,166)(H,135,153)(H,136,154)(H,137,155)(H,138,156)(H,139,161)(H,140,162)(H,141,163)(H,142,164)(H4,115,116,123)(H4,117,118,124)(H4,119,120,125)(H4,121,122,126)/t59-,60-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,87-,88-/m0/s1 | PDB
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| 0.0700 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Cincinnati and VA Medical Centers
Curated by ChEMBL
| Assay Description
Affinity for cloned Y1 receptor using [125I]-PYY as radioligand |
J Med Chem 44: 1479-82 (2001)
BindingDB Entry DOI: 10.7270/Q2RJ4HRJ |
More data for this
Ligand-Target Pair | |
cholinergic receptor, nicotinic, alpha 1 (Muscle) isoform X1
(Xenopus) | BDBM86045
(NNEP)Show SMILES Nc1ccc(cn1)[C@H]1CC2CCC1N2 |r,TLB:4:7:10.11:13| Show InChI InChI=1S/C11H15N3/c12-11-4-1-7(6-13-11)9-5-8-2-3-10(9)14-8/h1,4,6,8-10,14H,2-3,5H2,(H2,12,13)/t8?,9-,10?/m1/s1 | PDB
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| 0.0770 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Miami
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 302: 1246-52 (2002)
Article DOI: 10.1124/jpet.102.035899
BindingDB Entry DOI: 10.7270/Q2HQ3XG3 |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 4
(Homo sapiens (Human)) | BDBM50099198
(CHEMBL429531 | Tyr-Pro-Ser-Lys-Pro-Asp-Asn-Pro-Gly...)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O Show InChI InChI=1S/C190H286N54O56/c1-16-96(10)150(180(294)234-130(82-142(193)253)168(282)225-124(74-94(6)7)164(278)226-125(75-95(8)9)171(285)239-151(101(15)247)181(295)221-120(32-22-66-208-190(202)203)185(299)243-70-26-36-140(243)177(291)219-116(31-21-65-207-189(200)201)156(270)222-121(152(195)266)77-103-40-50-109(249)51-41-103)238-172(286)128(80-106-46-56-112(252)57-47-106)229-167(281)129(81-107-87-204-91-210-107)230-158(272)115(30-20-64-206-188(198)199)218-163(277)123(73-93(4)5)223-155(269)98(12)212-173(287)135(89-245)236-166(280)127(79-105-44-54-111(251)55-45-105)228-165(279)126(78-104-42-52-110(250)53-43-104)227-157(271)114(29-19-63-205-187(196)197)216-153(267)97(11)211-161(275)122(72-92(2)3)224-169(283)132(85-148(262)263)232-160(274)118(59-61-146(258)259)217-154(268)99(13)213-176(290)138-34-24-67-240(138)182(296)100(14)214-162(276)131(84-147(260)261)231-159(273)117(58-60-145(256)257)215-144(255)88-209-175(289)137-33-23-69-242(137)186(300)134(83-143(194)254)235-170(284)133(86-149(264)265)233-178(292)141-37-27-71-244(141)184(298)119(28-17-18-62-191)220-174(288)136(90-246)237-179(293)139-35-25-68-241(139)183(297)113(192)76-102-38-48-108(248)49-39-102/h38-57,87,91-101,113-141,150-151,245-252H,16-37,58-86,88-90,191-192H2,1-15H3,(H2,193,253)(H2,194,254)(H2,195,266)(H,204,210)(H,209,289)(H,211,275)(H,212,287)(H,213,290)(H,214,276)(H,215,255)(H,216,267)(H,217,268)(H,218,277)(H,219,291)(H,220,288)(H,221,295)(H,222,270)(H,223,269)(H,224,283)(H,225,282)(H,226,278)(H,227,271)(H,228,279)(H,229,281)(H,230,272)(H,231,273)(H,232,274)(H,233,292)(H,234,294)(H,235,284)(H,236,280)(H,237,293)(H,238,286)(H,239,285)(H,256,257)(H,258,259)(H,260,261)(H,262,263)(H,264,265)(H4,196,197,205)(H4,198,199,206)(H4,200,201,207)(H4,202,203,208)/t96-,97-,98-,99-,100-,101+,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,150-,151-/m0/s1 | PDB
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| 0.0800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Cincinnati and VA Medical Centers
Curated by ChEMBL
| Assay Description
Affinity for cloned Y4 receptor using [125I]-PP as radioligand |
J Med Chem 44: 1479-82 (2001)
BindingDB Entry DOI: 10.7270/Q2RJ4HRJ |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Rattus norvegicus (Rat)) | BDBM50098525
(2-(8-Bromo-benzo[1,2-b;4,5-b']difuran-4-yl)-1-meth...)Show InChI InChI=1S/C13H12BrNO2/c1-7(15)6-10-8-2-4-17-13(8)11(14)9-3-5-16-12(9)10/h2-5,7H,6,15H2,1H3/p+1/t7-/m1/s1 | PDB
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| 0.110 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Purdue University
Curated by ChEMBL
| Assay Description
Binding affinity at cloned rat 5-hydroxytryptamine 2C receptor using [3H]-DOI as radioligand |
J Med Chem 44: 1003-10 (2001)
BindingDB Entry DOI: 10.7270/Q27P8XND |
More data for this
Ligand-Target Pair | |
Serine protease 1
(Homo sapiens (Human)) | BDBM50289586
(3-Methyl-2'-sulfamoyl-biphenyl-4-carboxylic acid [...)Show SMILES Cc1cc(ccc1C(=O)N[C@@H](CCCNC(N)=N)B1O[C@@H]2CC3CC(C3(C)C)[C@]2(C)O1)-c1ccccc1S(N)(=O)=O |TLB:30:28:25:23| Show InChI InChI=1S/C29H40BN5O5S/c1-17-14-18(21-8-5-6-9-22(21)41(33,37)38)11-12-20(17)26(36)35-25(10-7-13-34-27(31)32)30-39-24-16-19-15-23(28(19,2)3)29(24,4)40-30/h5-6,8-9,11-12,14,19,23-25H,7,10,13,15-16H2,1-4H3,(H,35,36)(H4,31,32,34)(H2,33,37,38)/t19?,23?,24-,25+,29+/m1/s1 | PDB
MMDB
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| 0.110 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of trypsin |
Bioorg Med Chem Lett 7: 1595-1600 (1997)
Article DOI: 10.1016/S0960-894X(97)00254-0
BindingDB Entry DOI: 10.7270/Q2VQ32PJ |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Rattus norvegicus (rat)) | BDBM50361235
(CHEMBL1934525)Show SMILES C[C@@H]1CCCN1CCc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)CC1CCOCC1 |r| Show InChI InChI=1S/C25H33NO3S/c1-20-3-2-15-26(20)16-12-21-4-6-23(7-5-21)24-8-10-25(11-9-24)30(27,28)19-22-13-17-29-18-14-22/h4-11,20,22H,2-3,12-19H2,1H3/t20-/m1/s1 | PDB
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| 0.170 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Arena Pharmaceuticals
Curated by ChEMBL
| Assay Description
Displacement of N-[3H]-methylhistamine from histamine H3 receptor in rat cortex membranes |
Bioorg Med Chem Lett 22: 71-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.11.075
BindingDB Entry DOI: 10.7270/Q27M08C7 |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Rattus norvegicus (rat)) | BDBM50352357
(CHEMBL558655)Show SMILES CC1CCCN1CCc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)NCc1ccncc1 Show InChI InChI=1S/C25H29N3O2S/c1-20-3-2-17-28(20)18-14-21-4-6-23(7-5-21)24-8-10-25(11-9-24)31(29,30)27-19-22-12-15-26-16-13-22/h4-13,15-16,20,27H,2-3,14,17-19H2,1H3 | PDB
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| 0.182 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Arena Pharmaceuticals
Curated by ChEMBL
| Assay Description
Displacement of N-[3H]methylhistamine from histamine H3 receptor in rat cortex membrane |
J Med Chem 52: 5603-11 (2009)
Article DOI: 10.1021/jm900857n
BindingDB Entry DOI: 10.7270/Q2KW5G2F |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2B
(Homo sapiens (Human)) | BDBM50068612
(2-(8-Bromo-benzo[1,2-b;4,5-b']difuran-4-yl)-1-meth...)Show InChI InChI=1S/C13H12BrNO2/c1-7(15)6-10-8-2-4-17-13(8)11(14)9-3-5-16-12(9)10/h2-5,7H,6,15H2,1H3 | PDB
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| 0.190 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Purdue University
Curated by ChEMBL
| Assay Description
Binding activity against cloned human 5-hydroxytryptamine 2B receptor using [3H]-5-HT as the radioligand. |
J Med Chem 41: 5148-9 (1999)
Article DOI: 10.1021/jm9803525
BindingDB Entry DOI: 10.7270/Q2862FKX |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Rattus norvegicus (rat)) | BDBM50361237
(CHEMBL1934527)Show SMILES C[C@@H]1CCCN1CCc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)CC1CCCCO1 |r| Show InChI InChI=1S/C25H33NO3S/c1-20-5-4-16-26(20)17-15-21-7-9-22(10-8-21)23-11-13-25(14-12-23)30(27,28)19-24-6-2-3-18-29-24/h7-14,20,24H,2-6,15-19H2,1H3/t20-,24?/m1/s1 | PDB
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| 0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Arena Pharmaceuticals
Curated by ChEMBL
| Assay Description
Displacement of N-[3H]-methylhistamine from histamine H3 receptor in rat cortex membranes |
Bioorg Med Chem Lett 22: 71-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.11.075
BindingDB Entry DOI: 10.7270/Q27M08C7 |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50084682
(1-[3-(4-Carbamimidoyl-phenyl)-2-(2-methyl-1,2,3,4-...)Show SMILES Cc1cc(ccc1C(=O)N[C@@H](CCCNC(N)=N)B1O[C@@H]2CC3CC(C3(C)C)[C@]2(C)O1)-c1ccccc1S(=O)(=O)NC(C)(C)C |TLB:30:28:25:23| Show InChI InChI=1S/C33H48BN5O5S/c1-20-17-21(24-11-8-9-12-25(24)45(41,42)39-31(2,3)4)14-15-23(20)29(40)38-28(13-10-16-37-30(35)36)34-43-27-19-22-18-26(32(22,5)6)33(27,7)44-34/h8-9,11-12,14-15,17,22,26-28,39H,10,13,16,18-19H2,1-7H3,(H,38,40)(H4,35,36,37)/t22?,26?,27-,28+,33+/m1/s1 | PDB
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| 0.210 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of thrombin |
Bioorg Med Chem Lett 7: 1595-1600 (1997)
Article DOI: 10.1016/S0960-894X(97)00254-0
BindingDB Entry DOI: 10.7270/Q2VQ32PJ |
More data for this
Ligand-Target Pair | |
Cholinergic receptor nicotinic alpha 5 subunit
(Xenopus) | BDBM86040
(NBEP)Show SMILES Brc1ccc(cn1)[C@H]1CC2CCC1N2 |r,TLB:4:7:10.11:13| Show InChI InChI=1S/C11H13BrN2/c12-11-4-1-7(6-13-11)9-5-8-2-3-10(9)14-8/h1,4,6,8-10,14H,2-3,5H2/t8?,9-,10?/m1/s1 | UniProtKB/TrEMBL
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| 0.220 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Miami
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 302: 1246-52 (2002)
Article DOI: 10.1124/jpet.102.035899
BindingDB Entry DOI: 10.7270/Q2HQ3XG3 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Rattus norvegicus (rat)) | BDBM50068612
(2-(8-Bromo-benzo[1,2-b;4,5-b']difuran-4-yl)-1-meth...)Show InChI InChI=1S/C13H12BrNO2/c1-7(15)6-10-8-2-4-17-13(8)11(14)9-3-5-16-12(9)10/h2-5,7H,6,15H2,1H3 | PDB
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| 0.230 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Purdue University
Curated by ChEMBL
| Assay Description
Displacement of [3H]MDL100907 from 5HT2A receptor in Sprague-Dawley rat brain by liquid scintillation spectroscopy |
Bioorg Med Chem 16: 4661-9 (2008)
Article DOI: 10.1016/j.bmc.2008.02.033
BindingDB Entry DOI: 10.7270/Q25D8RNZ |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Rattus norvegicus (rat)) | BDBM50068612
(2-(8-Bromo-benzo[1,2-b;4,5-b']difuran-4-yl)-1-meth...)Show InChI InChI=1S/C13H12BrNO2/c1-7(15)6-10-8-2-4-17-13(8)11(14)9-3-5-16-12(9)10/h2-5,7H,6,15H2,1H3 | PDB
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| 0.230 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Purdue University
Curated by ChEMBL
| Assay Description
Antagonistic activity measured for 5-hydroxytryptamine 2A receptor using [3H]-MDL- 100,907 as radioligand in rat cortical homogenates. |
J Med Chem 41: 5148-9 (1999)
Article DOI: 10.1021/jm9803525
BindingDB Entry DOI: 10.7270/Q2862FKX |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 2
(Homo sapiens (Human)) | BDBM50099198
(CHEMBL429531 | Tyr-Pro-Ser-Lys-Pro-Asp-Asn-Pro-Gly...)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O Show InChI InChI=1S/C190H286N54O56/c1-16-96(10)150(180(294)234-130(82-142(193)253)168(282)225-124(74-94(6)7)164(278)226-125(75-95(8)9)171(285)239-151(101(15)247)181(295)221-120(32-22-66-208-190(202)203)185(299)243-70-26-36-140(243)177(291)219-116(31-21-65-207-189(200)201)156(270)222-121(152(195)266)77-103-40-50-109(249)51-41-103)238-172(286)128(80-106-46-56-112(252)57-47-106)229-167(281)129(81-107-87-204-91-210-107)230-158(272)115(30-20-64-206-188(198)199)218-163(277)123(73-93(4)5)223-155(269)98(12)212-173(287)135(89-245)236-166(280)127(79-105-44-54-111(251)55-45-105)228-165(279)126(78-104-42-52-110(250)53-43-104)227-157(271)114(29-19-63-205-187(196)197)216-153(267)97(11)211-161(275)122(72-92(2)3)224-169(283)132(85-148(262)263)232-160(274)118(59-61-146(258)259)217-154(268)99(13)213-176(290)138-34-24-67-240(138)182(296)100(14)214-162(276)131(84-147(260)261)231-159(273)117(58-60-145(256)257)215-144(255)88-209-175(289)137-33-23-69-242(137)186(300)134(83-143(194)254)235-170(284)133(86-149(264)265)233-178(292)141-37-27-71-244(141)184(298)119(28-17-18-62-191)220-174(288)136(90-246)237-179(293)139-35-25-68-241(139)183(297)113(192)76-102-38-48-108(248)49-39-102/h38-57,87,91-101,113-141,150-151,245-252H,16-37,58-86,88-90,191-192H2,1-15H3,(H2,193,253)(H2,194,254)(H2,195,266)(H,204,210)(H,209,289)(H,211,275)(H,212,287)(H,213,290)(H,214,276)(H,215,255)(H,216,267)(H,217,268)(H,218,277)(H,219,291)(H,220,288)(H,221,295)(H,222,270)(H,223,269)(H,224,283)(H,225,282)(H,226,278)(H,227,271)(H,228,279)(H,229,281)(H,230,272)(H,231,273)(H,232,274)(H,233,292)(H,234,294)(H,235,284)(H,236,280)(H,237,293)(H,238,286)(H,239,285)(H,256,257)(H,258,259)(H,260,261)(H,262,263)(H,264,265)(H4,196,197,205)(H4,198,199,206)(H4,200,201,207)(H4,202,203,208)/t96-,97-,98-,99-,100-,101+,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,150-,151-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
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| CHEMBL
PC cid
PC sid
UniChem
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| PubMed
| 0.230 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Cincinnati and VA Medical Centers
Curated by ChEMBL
| Assay Description
Affinity for cloned Y2 receptor using [125I]-PYY as radioligand |
J Med Chem 44: 1479-82 (2001)
BindingDB Entry DOI: 10.7270/Q2RJ4HRJ |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Rattus norvegicus (Rat)) | BDBM50098526
(2-(8-Bromo-benzo[1,2-b;4,5-b']difuran-4-yl)-1-meth...)Show InChI InChI=1S/C13H12BrNO2/c1-7(15)6-10-8-2-4-17-13(8)11(14)9-3-5-16-12(9)10/h2-5,7H,6,15H2,1H3/p+1/t7-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
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CHEMBL
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PC sid
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| 0.25 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Purdue University
Curated by ChEMBL
| Assay Description
Binding affinity at cloned rat 5-hydroxytryptamine 2C receptor using [3H]-DOI as radioligand |
J Med Chem 44: 1003-10 (2001)
BindingDB Entry DOI: 10.7270/Q27P8XND |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 4
(Homo sapiens (Human)) | BDBM50409214
(CHEMBL2110365 | GR-231118)Show SMILES CC[C@H](C)[C@H](N)C(=O)N[C@H]1CCC(=O)NC[C@H](NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCC(=O)NC[C@H](NC(=O)[C@@H]2CCCN2C1=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)NC(=O)[C@@H](N)[C@@H](C)CC)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O Show InChI InChI=1S/C110H170N34O24/c1-9-59(7)87(111)103(165)133-73-39-41-85(149)127-55-81(99(161)139-79(53-63-27-35-67(147)36-28-63)97(159)131-71(19-13-45-125-109(119)120)93(155)137-77(49-57(3)4)95(157)129-69(17-11-43-123-107(115)116)91(153)135-75(89(113)151)51-61-23-31-65(145)32-24-61)142-102(164)84-22-16-48-144(84)106(168)74(134-104(166)88(112)60(8)10-2)40-42-86(150)128-56-82(141-101(163)83-21-15-47-143(83)105(73)167)100(162)140-80(54-64-29-37-68(148)38-30-64)98(160)132-72(20-14-46-126-110(121)122)94(156)138-78(50-58(5)6)96(158)130-70(18-12-44-124-108(117)118)92(154)136-76(90(114)152)52-62-25-33-66(146)34-26-62/h23-38,57-60,69-84,87-88,145-148H,9-22,39-56,111-112H2,1-8H3,(H2,113,151)(H2,114,152)(H,127,149)(H,128,150)(H,129,157)(H,130,158)(H,131,159)(H,132,160)(H,133,165)(H,134,166)(H,135,153)(H,136,154)(H,137,155)(H,138,156)(H,139,161)(H,140,162)(H,141,163)(H,142,164)(H4,115,116,123)(H4,117,118,124)(H4,119,120,125)(H4,121,122,126)/t59-,60-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,87-,88-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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CHEMBL
MCE
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| 0.260 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Cincinnati and VA Medical Centers
Curated by ChEMBL
| Assay Description
Affinity for cloned Y4 receptor using [125I]-PP as radioligand |
J Med Chem 44: 1479-82 (2001)
BindingDB Entry DOI: 10.7270/Q2RJ4HRJ |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Rattus norvegicus (Rat)) | BDBM50098532
(2-(8-Bromo-2,3,6,7-tetrahydro-benzo[1,2-b;4,5-b']d...)Show InChI InChI=1S/C13H16BrNO2/c1-7(15)6-10-8-2-4-17-13(8)11(14)9-3-5-16-12(9)10/h7H,2-6,15H2,1H3/p+1/t7-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
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CHEMBL
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PC sid
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| 0.260 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Purdue University
Curated by ChEMBL
| Assay Description
Binding affinity at cloned rat 5-hydroxytryptamine 2C receptor using [3H]-DOI as radioligand |
J Med Chem 44: 1003-10 (2001)
BindingDB Entry DOI: 10.7270/Q27P8XND |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 1
(Homo sapiens (Human)) | BDBM50099197
(CHEMBL411117 | Ile-Glu-Pro-Dpr-Tyr-Arg-Leu-Arg-Tyr...)Show SMILES CC[C@H](C)[C@H](N)C(=O)N[C@@H]1CCC(=O)NC[C@@H](NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCC(=O)NC[C@H](NC(=O)[C@@H]2CCCN2C1=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)OC)NC(=O)[C@@H](N)[C@@H](C)CC)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)OC Show InChI InChI=1S/C112H172N32O26/c1-11-61(7)89(113)103(163)133-75-41-43-87(149)127-57-83(99(159)137-79(53-63-25-33-67(145)34-26-63)97(157)131-71(19-13-45-123-109(115)116)91(151)135-77(51-59(3)4)95(155)129-73(21-15-47-125-111(119)120)93(153)139-81(107(167)169-9)55-65-29-37-69(147)38-30-65)142-102(162)86-24-18-50-144(86)106(166)76(134-104(164)90(114)62(8)12-2)42-44-88(150)128-58-84(141-101(161)85-23-17-49-143(85)105(75)165)100(160)138-80(54-64-27-35-68(146)36-28-64)98(158)132-72(20-14-46-124-110(117)118)92(152)136-78(52-60(5)6)96(156)130-74(22-16-48-126-112(121)122)94(154)140-82(108(168)170-10)56-66-31-39-70(148)40-32-66/h25-40,59-62,71-86,89-90,145-148H,11-24,41-58,113-114H2,1-10H3,(H,127,149)(H,128,150)(H,129,155)(H,130,156)(H,131,157)(H,132,158)(H,133,163)(H,134,164)(H,135,151)(H,136,152)(H,137,159)(H,138,160)(H,139,153)(H,140,154)(H,141,161)(H,142,162)(H4,115,116,123)(H4,117,118,124)(H4,119,120,125)(H4,121,122,126)/t61-,62-,71-,72-,73-,74-,75-,76+,77-,78-,79-,80-,81-,82-,83-,84+,85-,86-,89-,90-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 0.270 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Cincinnati and VA Medical Centers
Curated by ChEMBL
| Assay Description
Affinity for cloned Y1 receptor using [125I]-PYY as radioligand |
J Med Chem 44: 1479-82 (2001)
BindingDB Entry DOI: 10.7270/Q2RJ4HRJ |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Rattus norvegicus (rat)) | BDBM50098530
(1-Methyl-2-(8-trifluoromethyl-benzo[1,2-b;4,5-b']d...)Show SMILES C[C@@H]([NH3+])Cc1c2ccoc2c(c2ccoc12)C(F)(F)F Show InChI InChI=1S/C14H12F3NO2/c1-7(18)6-10-8-2-4-20-13(8)11(14(15,16)17)9-3-5-19-12(9)10/h2-5,7H,6,18H2,1H3/p+1/t7-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 0.290 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Purdue University
Curated by ChEMBL
| Assay Description
Binding affinity at cloned rat 5-hydroxytryptamine 2A receptor using [3H]-DOB as radioligand |
J Med Chem 44: 1003-10 (2001)
BindingDB Entry DOI: 10.7270/Q27P8XND |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Rattus norvegicus (rat)) | BDBM50352358
(CHEMBL558456)Show SMILES CC1CCCN1CCc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)NCc1ccccc1 Show InChI InChI=1S/C26H30N2O2S/c1-21-6-5-18-28(21)19-17-22-9-11-24(12-10-22)25-13-15-26(16-14-25)31(29,30)27-20-23-7-3-2-4-8-23/h2-4,7-16,21,27H,5-6,17-20H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.295 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Arena Pharmaceuticals
Curated by ChEMBL
| Assay Description
Displacement of N-[3H]methylhistamine from histamine H3 receptor in rat cortex membrane |
J Med Chem 52: 5603-11 (2009)
Article DOI: 10.1021/jm900857n
BindingDB Entry DOI: 10.7270/Q2KW5G2F |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Homo sapiens (Human)) | BDBM50052337
(2-(8-bromo-2,3,6,7-tetrahydro-benzo[1,2-b;4,5-b']d...)Show InChI InChI=1S/C13H16BrNO2/c1-7(15)6-10-8-2-4-17-13(8)11(14)9-3-5-16-12(9)10/h7H,2-6,15H2,1H3 | PDB
Reactome pathway
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PC sid
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| Article
PubMed
| 0.300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Purdue University
Curated by ChEMBL
| Assay Description
Agonistic activity at cloned human 5-hydroxytryptamine 2C receptor using [125I]-DOI as radioligand |
J Med Chem 39: 2953-61 (1996)
Article DOI: 10.1021/jm960199j
BindingDB Entry DOI: 10.7270/Q28914ZS |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Homo sapiens (Human)) | BDBM50052337
(2-(8-bromo-2,3,6,7-tetrahydro-benzo[1,2-b;4,5-b']d...)Show InChI InChI=1S/C13H16BrNO2/c1-7(15)6-10-8-2-4-17-13(8)11(14)9-3-5-16-12(9)10/h7H,2-6,15H2,1H3 | PDB
Reactome pathway
KEGG
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CHEMBL
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| Article
PubMed
| 0.300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Purdue University
Curated by ChEMBL
| Assay Description
Binding activity against cloned human 5-hydroxytryptamine 2C receptor using [125I]-DOI as the radioligand. |
J Med Chem 41: 5148-9 (1999)
Article DOI: 10.1021/jm9803525
BindingDB Entry DOI: 10.7270/Q2862FKX |
More data for this
Ligand-Target Pair | |
Estrogen receptor
(Homo sapiens (Human)) | BDBM17292
((1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{...)Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3CC[C@@]21[H] Show InChI InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17+,18+/m1/s1 | PDB
UniProtKB/SwissProt
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CHEMBL
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MCE
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PC cid
PC sid
PDB
UniChem
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| PDB
Article
PubMed
| 0.300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of New Mexico Health Sciences Center
Curated by ChEMBL
| Assay Description
Displacement of E2-Alexa633 from GFP-tagged ERalpha expressed in COS7 cells by FACS |
Nat Chem Biol 2: 207-12 (2006)
Article DOI: 10.1038/nchembio775
BindingDB Entry DOI: 10.7270/Q2ZK5GV2 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
5-hydroxytryptamine receptor 2A
(Rattus norvegicus (rat)) | BDBM50098525
(2-(8-Bromo-benzo[1,2-b;4,5-b']difuran-4-yl)-1-meth...)Show InChI InChI=1S/C13H12BrNO2/c1-7(15)6-10-8-2-4-17-13(8)11(14)9-3-5-16-12(9)10/h2-5,7H,6,15H2,1H3/p+1/t7-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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CHEMBL
MCE
PC cid
PC sid
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Similars
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| 0.310 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Purdue University
Curated by ChEMBL
| Assay Description
Binding affinity at cloned rat 5-hydroxytryptamine 2A receptor using [3H]-DOB as radioligand |
J Med Chem 44: 1003-10 (2001)
BindingDB Entry DOI: 10.7270/Q27P8XND |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50094092
(CHEMBL336661 | N-(3-Bromo-2'-sulfamoyl-biphenyl-4-...)Show SMILES NC(=N)c1ccc2[nH]cc(CC(=O)Nc3ccc(cc3Br)-c3ccccc3S(N)(=O)=O)c2c1 Show InChI InChI=1S/C23H20BrN5O3S/c24-18-10-13(16-3-1-2-4-21(16)33(27,31)32)5-8-20(18)29-22(30)11-15-12-28-19-7-6-14(23(25)26)9-17(15)19/h1-10,12,28H,11H2,(H3,25,26)(H,29,30)(H2,27,31,32) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
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| CHEMBL
PC cid
PC sid
UniChem
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| 0.320 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
DuPont Pharmaceuticals Company
Curated by ChEMBL
| Assay Description
Binding affinity against human coagulation factor X |
J Med Chem 43: 4398-415 (2000)
BindingDB Entry DOI: 10.7270/Q2JS9PP5 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Rattus norvegicus (rat)) | BDBM50098536
(1-Methyl-2-(8-trifluoromethyl-benzo[1,2-b;4,5-b']d...)Show SMILES C[C@H]([NH3+])Cc1c2ccoc2c(c2ccoc12)C(F)(F)F Show InChI InChI=1S/C14H12F3NO2/c1-7(18)6-10-8-2-4-20-13(8)11(14(15,16)17)9-3-5-19-12(9)10/h2-5,7H,6,18H2,1H3/p+1/t7-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 0.320 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Purdue University
Curated by ChEMBL
| Assay Description
Binding affinity at cloned rat 5-hydroxytryptamine 2A receptor using [3H]-DOB as radioligand |
J Med Chem 44: 1003-10 (2001)
BindingDB Entry DOI: 10.7270/Q27P8XND |
More data for this
Ligand-Target Pair | |
neuronal acetylcholine receptor subunit alpha-4
(Xenopus) | BDBM86045
(NNEP)Show SMILES Nc1ccc(cn1)[C@H]1CC2CCC1N2 |r,TLB:4:7:10.11:13| Show InChI InChI=1S/C11H15N3/c12-11-4-1-7(6-13-11)9-5-8-2-3-10(9)14-8/h1,4,6,8-10,14H,2-3,5H2,(H2,12,13)/t8?,9-,10?/m1/s1 | PDB
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| 0.350 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Miami
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 302: 1246-52 (2002)
Article DOI: 10.1124/jpet.102.035899
BindingDB Entry DOI: 10.7270/Q2HQ3XG3 |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50289591
(2'-Diethylsulfamoyl-3-methyl-biphenyl-4-carboxylic...)Show SMILES CCN(CC)S(=O)(=O)c1ccccc1-c1ccc(C(=O)N[C@@H](CCCNC(N)=N)B2O[C@@H]3CC4CC(C4(C)C)[C@]3(C)O2)c(C)c1 |TLB:41:39:36:34| Show InChI InChI=1S/C33H48BN5O5S/c1-7-39(8-2)45(41,42)26-13-10-9-12-25(26)22-15-16-24(21(3)18-22)30(40)38-29(14-11-17-37-31(35)36)34-43-28-20-23-19-27(32(23,4)5)33(28,6)44-34/h9-10,12-13,15-16,18,23,27-29H,7-8,11,14,17,19-20H2,1-6H3,(H,38,40)(H4,35,36,37)/t23?,27?,28-,29+,33+/m1/s1 | PDB
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| 0.360 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of thrombin |
Bioorg Med Chem Lett 7: 1595-1600 (1997)
Article DOI: 10.1016/S0960-894X(97)00254-0
BindingDB Entry DOI: 10.7270/Q2VQ32PJ |
More data for this
Ligand-Target Pair | |
Estrogen receptor beta
(Homo sapiens (Human)) | BDBM17292
((1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{...)Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3CC[C@@]21[H] Show InChI InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17+,18+/m1/s1 | PDB
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Article
PubMed
| 0.380 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of New Mexico Health Sciences Center
Curated by ChEMBL
| Assay Description
Displacement of E2-Alexa633 from GFP-tagged ERbeta expressed in COS7 cells by FACS |
Nat Chem Biol 2: 207-12 (2006)
Article DOI: 10.1038/nchembio775
BindingDB Entry DOI: 10.7270/Q2ZK5GV2 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
5-hydroxytryptamine receptor 2C
(Rattus norvegicus (Rat)) | BDBM50098530
(1-Methyl-2-(8-trifluoromethyl-benzo[1,2-b;4,5-b']d...)Show SMILES C[C@@H]([NH3+])Cc1c2ccoc2c(c2ccoc12)C(F)(F)F Show InChI InChI=1S/C14H12F3NO2/c1-7(18)6-10-8-2-4-20-13(8)11(14(15,16)17)9-3-5-19-12(9)10/h2-5,7H,6,18H2,1H3/p+1/t7-/m1/s1 | PDB
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| 0.400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Purdue University
Curated by ChEMBL
| Assay Description
Binding affinity at cloned rat 5-hydroxytryptamine 2C receptor using [3H]-DOI as radioligand |
J Med Chem 44: 1003-10 (2001)
BindingDB Entry DOI: 10.7270/Q27P8XND |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 5
(Homo sapiens (Human)) | BDBM50373621
(CHEMBL403414)Show SMILES CN(C1CCN(CC1)S(C)(=O)=O)C(=O)Nc1ccc(cc1)-c1cc(F)cc(F)c1 Show InChI InChI=1S/C20H23F2N3O3S/c1-24(19-7-9-25(10-8-19)29(2,27)28)20(26)23-18-5-3-14(4-6-18)15-11-16(21)13-17(22)12-15/h3-6,11-13,19H,7-10H2,1-2H3,(H,23,26) | KEGG
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| 0.400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Displacement of [125]PYY from human chimeric NPY Y5 receptor expressed in CHOK1 cells |
Bioorg Med Chem Lett 18: 1146-50 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.132
BindingDB Entry DOI: 10.7270/Q27D2W1W |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50289587
(3-Methyl-biphenyl-4-carboxylic acid [(R)-4-guanidi...)Show SMILES Cc1cc(ccc1C(=O)N[C@@H](CCCNC(N)=N)B1O[C@@H]2CC3CC(C3(C)C)[C@]2(C)O1)-c1ccccc1 |TLB:30:28:25:23| Show InChI InChI=1S/C29H39BN4O3/c1-18-15-20(19-9-6-5-7-10-19)12-13-22(18)26(35)34-25(11-8-14-33-27(31)32)30-36-24-17-21-16-23(28(21,2)3)29(24,4)37-30/h5-7,9-10,12-13,15,21,23-25H,8,11,14,16-17H2,1-4H3,(H,34,35)(H4,31,32,33)/t21?,23?,24-,25+,29+/m1/s1 | PDB
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| 0.420 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of thrombin |
Bioorg Med Chem Lett 7: 1595-1600 (1997)
Article DOI: 10.1016/S0960-894X(97)00254-0
BindingDB Entry DOI: 10.7270/Q2VQ32PJ |
More data for this
Ligand-Target Pair | |
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