Found 15 hits with Last Name = 'd''alisa' and Initial = 'r' 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 |
|---|
Prothrombin
(Homo sapiens (Human)) | BDBM50287790
((2S,4R)-1-Acetyl-4-benzyloxy-pyrrolidine-2-carboxy...)Show SMILES CC(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)CCl)OCc1ccccc1 Show InChI InChI=1S/C21H30ClN5O4/c1-14(28)27-12-16(31-13-15-6-3-2-4-7-15)10-18(27)20(30)26-17(19(29)11-22)8-5-9-25-21(23)24/h2-4,6-7,16-18H,5,8-13H2,1H3,(H,26,30)(H4,23,24,25)/t16-,17+,18+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 0.900 | 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 6: 2225-2230 (1996)
Article DOI: 10.1016/0960-894X(96)00404-0
BindingDB Entry DOI: 10.7270/Q2W95963 |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50287780
((S)-1-((R)-2-Amino-3-phenyl-propionyl)-pyrrolidine...)Show SMILES N[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)CCl Show InChI InChI=1S/C21H31ClN6O3/c22-13-18(29)16(8-4-10-26-21(24)25)27-19(30)17-9-5-11-28(17)20(31)15(23)12-14-6-2-1-3-7-14/h1-3,6-7,15-17H,4-5,8-13,23H2,(H,27,30)(H4,24,25,26)/t15-,16+,17+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
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| Purchase
CHEMBL
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
| n/a | n/a | 1.5 | 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 6: 2225-2230 (1996)
Article DOI: 10.1016/0960-894X(96)00404-0
BindingDB Entry DOI: 10.7270/Q2W95963 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Prothrombin
(Homo sapiens (Human)) | BDBM50287791
((2S,4R)-1-((R)-2-Amino-3-phenyl-propionyl)-4-benzy...)Show SMILES N[C@H](Cc1ccccc1)C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)CCl)OCc1ccccc1 Show InChI InChI=1S/C28H37ClN6O4/c29-16-25(36)23(12-7-13-33-28(31)32)34-26(37)24-15-21(39-18-20-10-5-2-6-11-20)17-35(24)27(38)22(30)14-19-8-3-1-4-9-19/h1-6,8-11,21-24H,7,12-18,30H2,(H,34,37)(H4,31,32,33)/t21-,22-,23+,24+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
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| CHEMBL
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PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 3 | 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 6: 2225-2230 (1996)
Article DOI: 10.1016/0960-894X(96)00404-0
BindingDB Entry DOI: 10.7270/Q2W95963 |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50287788
((2S,4R)-1-Acetyl-4-cyclohexylmethoxy-pyrrolidine-2...)Show SMILES CC(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)CCl)OCC1CCCCC1 Show InChI InChI=1S/C21H36ClN5O4/c1-14(28)27-12-16(31-13-15-6-3-2-4-7-15)10-18(27)20(30)26-17(19(29)11-22)8-5-9-25-21(23)24/h15-18H,2-13H2,1H3,(H,26,30)(H4,23,24,25)/t16-,17+,18+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 4.90 | 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 6: 2225-2230 (1996)
Article DOI: 10.1016/0960-894X(96)00404-0
BindingDB Entry DOI: 10.7270/Q2W95963 |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50287781
((2S,4S)-1-((R)-2-Amino-3-phenyl-propionyl)-4-benzy...)Show SMILES N[C@H](Cc1ccccc1)C(=O)N1C[C@H](C[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)CCl)OCc1ccccc1 Show InChI InChI=1S/C28H37ClN6O4/c29-16-25(36)23(12-7-13-33-28(31)32)34-26(37)24-15-21(39-18-20-10-5-2-6-11-20)17-35(24)27(38)22(30)14-19-8-3-1-4-9-19/h1-6,8-11,21-24H,7,12-18,30H2,(H,34,37)(H4,31,32,33)/t21-,22+,23-,24-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 7.20 | 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 6: 2225-2230 (1996)
Article DOI: 10.1016/0960-894X(96)00404-0
BindingDB Entry DOI: 10.7270/Q2W95963 |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50287793
((2S,4R)-1-Acetyl-4-(3,3-diphenyl-propoxy)-pyrrolid...)Show SMILES CC(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)CCl)OCCC(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C29H38ClN5O4/c1-20(36)35-19-23(17-26(35)28(38)34-25(27(37)18-30)13-8-15-33-29(31)32)39-16-14-24(21-9-4-2-5-10-21)22-11-6-3-7-12-22/h2-7,9-12,23-26H,8,13-19H2,1H3,(H,34,38)(H4,31,32,33)/t23-,25+,26+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 10 | 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 6: 2225-2230 (1996)
Article DOI: 10.1016/0960-894X(96)00404-0
BindingDB Entry DOI: 10.7270/Q2W95963 |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50287783
((2S,4R)-4-Benzyloxy-1-propionyl-pyrrolidine-2-carb...)Show SMILES CCC(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)CCl)OCc1ccccc1 Show InChI InChI=1S/C22H32ClN5O4/c1-2-20(30)28-13-16(32-14-15-7-4-3-5-8-15)11-18(28)21(31)27-17(19(29)12-23)9-6-10-26-22(24)25/h3-5,7-8,16-18H,2,6,9-14H2,1H3,(H,27,31)(H4,24,25,26)/t16-,17+,18+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 13 | 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 6: 2225-2230 (1996)
Article DOI: 10.1016/0960-894X(96)00404-0
BindingDB Entry DOI: 10.7270/Q2W95963 |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50287789
((2S,4R)-1-Acetyl-4-(3-phenyl-propoxy)-pyrrolidine-...)Show SMILES CC(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)CCl)OCCCc1ccccc1 Show InChI InChI=1S/C23H34ClN5O4/c1-16(30)29-15-18(33-12-6-9-17-7-3-2-4-8-17)13-20(29)22(32)28-19(21(31)14-24)10-5-11-27-23(25)26/h2-4,7-8,18-20H,5-6,9-15H2,1H3,(H,28,32)(H4,25,26,27)/t18-,19+,20+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
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| CHEMBL
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PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 14 | 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 6: 2225-2230 (1996)
Article DOI: 10.1016/0960-894X(96)00404-0
BindingDB Entry DOI: 10.7270/Q2W95963 |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50287794
((2S,4R)-1-Acetyl-4-butoxy-pyrrolidine-2-carboxylic...)Show SMILES CCCCO[C@@H]1C[C@H](N(C1)C(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)CCl Show InChI InChI=1S/C18H32ClN5O4/c1-3-4-8-28-13-9-15(24(11-13)12(2)25)17(27)23-14(16(26)10-19)6-5-7-22-18(20)21/h13-15H,3-11H2,1-2H3,(H,23,27)(H4,20,21,22)/t13-,14+,15+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 22 | 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 6: 2225-2230 (1996)
Article DOI: 10.1016/0960-894X(96)00404-0
BindingDB Entry DOI: 10.7270/Q2W95963 |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50287787
((2S,4R)-4-Benzyloxy-1-methanesulfonyl-pyrrolidine-...)Show SMILES CS(=O)(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)CCl)OCc1ccccc1 Show InChI InChI=1S/C20H30ClN5O5S/c1-32(29,30)26-12-15(31-13-14-6-3-2-4-7-14)10-17(26)19(28)25-16(18(27)11-21)8-5-9-24-20(22)23/h2-4,6-7,15-17H,5,8-13H2,1H3,(H,25,28)(H4,22,23,24)/t15-,16+,17+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
| Article
| n/a | n/a | 24 | 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 6: 2225-2230 (1996)
Article DOI: 10.1016/0960-894X(96)00404-0
BindingDB Entry DOI: 10.7270/Q2W95963 |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50287782
((2S,4R)-4-Benzyloxy-1-(3-phenyl-propionyl)-pyrroli...)Show SMILES NC(=N)NCCC[C@H](NC(=O)[C@@H]1C[C@H](CN1C(=O)CCc1ccccc1)OCc1ccccc1)C(=O)CCl Show InChI InChI=1S/C28H36ClN5O4/c29-17-25(35)23(12-7-15-32-28(30)31)33-27(37)24-16-22(38-19-21-10-5-2-6-11-21)18-34(24)26(36)14-13-20-8-3-1-4-9-20/h1-6,8-11,22-24H,7,12-19H2,(H,33,37)(H4,30,31,32)/t22-,23+,24+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 32 | 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 6: 2225-2230 (1996)
Article DOI: 10.1016/0960-894X(96)00404-0
BindingDB Entry DOI: 10.7270/Q2W95963 |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50287792
((2S,4R)-1-Acetyl-4-phenethyl-pyrrolidine-2-carboxy...)Show SMILES CC(=O)N1C[C@H](CCc2ccccc2)C[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)CCl Show InChI InChI=1S/C22H32ClN5O3/c1-15(29)28-14-17(10-9-16-6-3-2-4-7-16)12-19(28)21(31)27-18(20(30)13-23)8-5-11-26-22(24)25/h2-4,6-7,17-19H,5,8-14H2,1H3,(H,27,31)(H4,24,25,26)/t17-,18+,19+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
| Article
| n/a | n/a | 40 | 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 6: 2225-2230 (1996)
Article DOI: 10.1016/0960-894X(96)00404-0
BindingDB Entry DOI: 10.7270/Q2W95963 |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50287786
((S)-1-Acetyl-pyrrolidine-2-carboxylic acid [(S)-1-...)Show SMILES CC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)CCl Show InChI InChI=1S/C14H24ClN5O3/c1-9(21)20-7-3-5-11(20)13(23)19-10(12(22)8-15)4-2-6-18-14(16)17/h10-11H,2-8H2,1H3,(H,19,23)(H4,16,17,18)/t10-,11-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
| Article
| n/a | n/a | 1.35E+3 | 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 6: 2225-2230 (1996)
Article DOI: 10.1016/0960-894X(96)00404-0
BindingDB Entry DOI: 10.7270/Q2W95963 |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50287785
((2S,4S)-1-Acetyl-4-benzyloxy-pyrrolidine-2-carboxy...)Show SMILES CC(=O)N1C[C@H](C[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)CCl)OCc1ccccc1 Show InChI InChI=1S/C21H30ClN5O4/c1-14(28)27-12-16(31-13-15-6-3-2-4-7-15)10-18(27)20(30)26-17(19(29)11-22)8-5-9-25-21(23)24/h2-4,6-7,16-18H,5,8-13H2,1H3,(H,26,30)(H4,23,24,25)/t16-,17-,18-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 4.60E+3 | 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 6: 2225-2230 (1996)
Article DOI: 10.1016/0960-894X(96)00404-0
BindingDB Entry DOI: 10.7270/Q2W95963 |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50287784
((2S,4R)-4-Benzyloxy-1-ethyl-pyrrolidine-2-carboxyl...)Show SMILES CCN1C[C@@H](C[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)CCl)OCc1ccccc1 Show InChI InChI=1S/C21H32ClN5O3/c1-2-27-13-16(30-14-15-7-4-3-5-8-15)11-18(27)20(29)26-17(19(28)12-22)9-6-10-25-21(23)24/h3-5,7-8,16-18H,2,6,9-14H2,1H3,(H,26,29)(H4,23,24,25)/t16-,17+,18+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 8.60E+3 | 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 6: 2225-2230 (1996)
Article DOI: 10.1016/0960-894X(96)00404-0
BindingDB Entry DOI: 10.7270/Q2W95963 |
More data for this
Ligand-Target Pair | |
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