Found 71 hits with Last Name = 'abelman' and Initial = 'mm' 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)) | 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
| 0.0410 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
In vitro for inhibition of thrombin. |
Bioorg Med Chem Lett 6: 2913-2918 (1996)
Article DOI: 10.1016/S0960-894X(96)00525-2
BindingDB Entry DOI: 10.7270/Q2V40V6S |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
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
Compound was tested in vitro for inhibition of trypsin |
Bioorg Med Chem Lett 6: 2913-2918 (1996)
Article DOI: 10.1016/S0960-894X(96)00525-2
BindingDB Entry DOI: 10.7270/Q2V40V6S |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50288405
(CHEMBL95940 | N-[(1-Dihydroxyboranyl-4-guanidino-b...)Show SMILES CN(CC(=O)N[C@@H](CCCNC(N)=N)B(O)O)C(=O)CCc1ccccc1 Show InChI InChI=1S/C17H28BN5O4/c1-23(16(25)10-9-13-6-3-2-4-7-13)12-15(24)22-14(18(26)27)8-5-11-21-17(19)20/h2-4,6-7,14,26-27H,5,8-12H2,1H3,(H,22,24)(H4,19,20,21)/t14-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 0.160 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
In vitro for inhibition of thrombin. |
Bioorg Med Chem Lett 6: 2913-2918 (1996)
Article DOI: 10.1016/S0960-894X(96)00525-2
BindingDB Entry DOI: 10.7270/Q2V40V6S |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50288414
(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](CCCCN)B(O)O Show InChI InChI=1S/C21H33BN4O5/c1-15(27)24-17(14-16-8-3-2-4-9-16)21(29)26-13-7-10-18(26)20(28)25-19(22(30)31)11-5-6-12-23/h2-4,8-9,17-19,30-31H,5-7,10-14,23H2,1H3,(H,24,27)(H,25,28)/t17-,18+,19+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
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| CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
| 0.240 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
In vitro for inhibition of thrombin. |
Bioorg Med Chem Lett 6: 2913-2918 (1996)
Article DOI: 10.1016/S0960-894X(96)00525-2
BindingDB Entry DOI: 10.7270/Q2V40V6S |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Prothrombin
(Homo sapiens (Human)) | BDBM50288615
((3S,4R)-3-{(S)-2-[(R)-5-Amino-1-((1S,2S,6R,8S)-2,9...)Show SMILES Cl.[H][C@@]12C[C@@]([H])(C1(C)C)[C@]1(C)OB(O[C@]1([H])C2)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CN(C[C@H]1c1cccc(c1)C(F)(F)F)C(=O)OC(C)(C)C |TLB:10:9:6:3,THB:11:9:6:3,13:14:6:3| Show InChI InChI=1S/C37H54BF3N4O6.ClH/c1-34(2,3)49-33(48)44-20-25(22-11-9-12-23(17-22)37(39,40)41)26(21-44)32(47)45-16-10-13-27(45)31(46)43-30(14-7-8-15-42)38-50-29-19-24-18-28(35(24,4)5)36(29,6)51-38;/h9,11-12,17,24-30H,7-8,10,13-16,18-21,42H2,1-6H3,(H,43,46);1H/t24-,25-,26+,27-,28-,29+,30-,36-;/m0./s1 | PDB
UniProtKB/SwissProt
antibodypedia
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PC cid
PC sid
UniChem
Similars
| Article
| 0.320 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Compound was evaluated for the inhibitory activity against thrombin. |
Bioorg Med Chem Lett 6: 295-300 (1996)
Article DOI: 10.1016/0960-894X(96)00015-7
BindingDB Entry DOI: 10.7270/Q2DZ089B |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50288409
(CHEMBL99309 | N-[(5-Amino-1-dihydroxyboranyl-penty...)Show SMILES NCCCC[C@H](NC(=O)CN(CCc1ccccc1)C(=O)CCc1ccccc1)B(O)O Show InChI InChI=1S/C24H34BN3O4/c26-17-8-7-13-22(25(31)32)27-23(29)19-28(18-16-21-11-5-2-6-12-21)24(30)15-14-20-9-3-1-4-10-20/h1-6,9-12,22,31-32H,7-8,13-19,26H2,(H,27,29)/t22-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 0.420 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
In vitro for inhibition of thrombin. |
Bioorg Med Chem Lett 6: 2913-2918 (1996)
Article DOI: 10.1016/S0960-894X(96)00525-2
BindingDB Entry DOI: 10.7270/Q2V40V6S |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50288619
(Boropeptide | CHEMBL3037937)Show SMILES Cl.NCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCC[C@H]1c1ccccc1)B(O)O Show InChI InChI=1S/C22H34BN3O4.ClH/c24-14-6-13-20(23(29)30)25-21(27)19-12-7-15-26(19)22(28)18-11-5-4-10-17(18)16-8-2-1-3-9-16;/h1-3,8-9,17-20,29-30H,4-7,10-15,24H2,(H,25,27);1H/t17-,18+,19-,20-;/m0./s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 0.460 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Compound was evaluated for the inhibitory activity against thrombin. |
Bioorg Med Chem Lett 6: 295-300 (1996)
Article DOI: 10.1016/0960-894X(96)00015-7
BindingDB Entry DOI: 10.7270/Q2DZ089B |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50288616
((S)-1-[(3S,4R)-4-(3-Trifluoromethyl-phenyl)-pyrrol...)Show SMILES Cl.Cl.[H][C@@]12C[C@@]([H])(C1(C)C)[C@]1(C)OB(O[C@]1([H])C2)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CNC[C@H]1c1cccc(c1)C(F)(F)F |TLB:11:10:7:4,THB:12:10:7:4,14:15:7:4| Show InChI InChI=1S/C32H46BF3N4O4.2ClH/c1-30(2)21-15-25(30)31(3)26(16-21)43-33(44-31)27(11-4-5-12-37)39-28(41)24-10-7-13-40(24)29(42)23-18-38-17-22(23)19-8-6-9-20(14-19)32(34,35)36;;/h6,8-9,14,21-27,38H,4-5,7,10-13,15-18,37H2,1-3H3,(H,39,41);2*1H/t21-,22-,23+,24-,25-,26+,27-,31-;;/m0../s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 0.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Compound was evaluated for the inhibitory activity against thrombin. |
Bioorg Med Chem Lett 6: 295-300 (1996)
Article DOI: 10.1016/0960-894X(96)00015-7
BindingDB Entry DOI: 10.7270/Q2DZ089B |
More data for this
Ligand-Target Pair | |
Serine protease 1
(Homo sapiens (Human)) | BDBM50288405
(CHEMBL95940 | N-[(1-Dihydroxyboranyl-4-guanidino-b...)Show SMILES CN(CC(=O)N[C@@H](CCCNC(N)=N)B(O)O)C(=O)CCc1ccccc1 Show InChI InChI=1S/C17H28BN5O4/c1-23(16(25)10-9-13-6-3-2-4-7-13)12-15(24)22-14(18(26)27)8-5-11-21-17(19)20/h2-4,6-7,14,26-27H,5,8-12H2,1H3,(H,22,24)(H4,19,20,21)/t14-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 0.610 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Compound was tested in vitro for inhibition of trypsin |
Bioorg Med Chem Lett 6: 2913-2918 (1996)
Article DOI: 10.1016/S0960-894X(96)00525-2
BindingDB Entry DOI: 10.7270/Q2V40V6S |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50288407
(CHEMBL317137 | N-[(5-Amino-1-dihydroxyboranyl-pent...)Show SMILES NCCCC[C@H](NC(=O)CN(C1CC1)C(=O)CCc1ccccc1)B(O)O Show InChI InChI=1S/C19H30BN3O4/c21-13-5-4-8-17(20(26)27)22-18(24)14-23(16-10-11-16)19(25)12-9-15-6-2-1-3-7-15/h1-3,6-7,16-17,26-27H,4-5,8-14,21H2,(H,22,24)/t17-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 0.690 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
In vitro for inhibition of thrombin. |
Bioorg Med Chem Lett 6: 2913-2918 (1996)
Article DOI: 10.1016/S0960-894X(96)00525-2
BindingDB Entry DOI: 10.7270/Q2V40V6S |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50288617
(Boropeptide | CHEMBL2448349)Show SMILES Cl.NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CCc1cccc(c1)C(F)(F)F)B(O)O Show InChI InChI=1S/C20H29BF3N3O4.ClH/c22-20(23,24)15-6-3-5-14(13-15)9-10-18(28)27-12-4-7-16(27)19(29)26-17(21(30)31)8-1-2-11-25;/h3,5-6,13,16-17,30-31H,1-2,4,7-12,25H2,(H,26,29);1H/t16-,17-;/m0./s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 0.780 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Compound was evaluated for the inhibitory activity against thrombin. |
Bioorg Med Chem Lett 6: 295-300 (1996)
Article DOI: 10.1016/0960-894X(96)00015-7
BindingDB Entry DOI: 10.7270/Q2DZ089B |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50288408
(1-(3-Phenyl-propionyl)-pyrrolidine-2-carboxylic ac...)Show SMILES NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CCc1ccccc1)B(O)O Show InChI InChI=1S/C19H30BN3O4/c21-13-5-4-10-17(20(26)27)22-19(25)16-9-6-14-23(16)18(24)12-11-15-7-2-1-3-8-15/h1-3,7-8,16-17,26-27H,4-6,9-14,21H2,(H,22,25)/t16-,17-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 0.800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
In vitro for inhibition of thrombin. |
Bioorg Med Chem Lett 6: 2913-2918 (1996)
Article DOI: 10.1016/S0960-894X(96)00525-2
BindingDB Entry DOI: 10.7270/Q2V40V6S |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50288408
(1-(3-Phenyl-propionyl)-pyrrolidine-2-carboxylic ac...)Show SMILES NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CCc1ccccc1)B(O)O Show InChI InChI=1S/C19H30BN3O4/c21-13-5-4-10-17(20(26)27)22-19(25)16-9-6-14-23(16)18(24)12-11-15-7-2-1-3-8-15/h1-3,7-8,16-17,26-27H,4-6,9-14,21H2,(H,22,25)/t16-,17-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 0.800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Compound was evaluated for the inhibitory activity against thrombin. |
Bioorg Med Chem Lett 6: 295-300 (1996)
Article DOI: 10.1016/0960-894X(96)00015-7
BindingDB Entry DOI: 10.7270/Q2DZ089B |
More data for this
Ligand-Target Pair | |
Serine protease 1
(Homo sapiens (Human)) | BDBM50288407
(CHEMBL317137 | N-[(5-Amino-1-dihydroxyboranyl-pent...)Show SMILES NCCCC[C@H](NC(=O)CN(C1CC1)C(=O)CCc1ccccc1)B(O)O Show InChI InChI=1S/C19H30BN3O4/c21-13-5-4-8-17(20(26)27)22-18(24)14-23(16-10-11-16)19(25)12-9-15-6-2-1-3-7-15/h1-3,6-7,16-17,26-27H,4-5,8-14,21H2,(H,22,24)/t17-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 1.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Compound was tested in vitro for inhibition of trypsin |
Bioorg Med Chem Lett 6: 2913-2918 (1996)
Article DOI: 10.1016/S0960-894X(96)00525-2
BindingDB Entry DOI: 10.7270/Q2V40V6S |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50288413
(CHEMBL101759 | N-[(5-Amino-1-dihydroxyboranyl-pent...)Show SMILES NCCCC[C@H](NC(=O)CN(C(=O)CCc1ccccc1)c1ccccc1)B(O)O Show InChI InChI=1S/C22H30BN3O4/c24-16-8-7-13-20(23(29)30)25-21(27)17-26(19-11-5-2-6-12-19)22(28)15-14-18-9-3-1-4-10-18/h1-6,9-12,20,29-30H,7-8,13-17,24H2,(H,25,27)/t20-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
| 1.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
In vitro for inhibition of thrombin. |
Bioorg Med Chem Lett 6: 2913-2918 (1996)
Article DOI: 10.1016/S0960-894X(96)00525-2
BindingDB Entry DOI: 10.7270/Q2V40V6S |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50288403
(CHEMBL330206 | N-[(5-Amino-1-dihydroxyboranyl-pent...)Show SMILES CC(C)N(CC(=O)N[C@@H](CCCCN)B(O)O)C(=O)CCc1ccccc1 Show InChI InChI=1S/C19H32BN3O4/c1-15(2)23(19(25)12-11-16-8-4-3-5-9-16)14-18(24)22-17(20(26)27)10-6-7-13-21/h3-5,8-9,15,17,26-27H,6-7,10-14,21H2,1-2H3,(H,22,24)/t17-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 1.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
In vitro for inhibition of thrombin. |
Bioorg Med Chem Lett 6: 2913-2918 (1996)
Article DOI: 10.1016/S0960-894X(96)00525-2
BindingDB Entry DOI: 10.7270/Q2V40V6S |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50069174
(Boronate Ester analogue | CHEMBL317682 | N-[(5-Ami...)Show SMILES CN(CC(=O)N[C@@H](CCCCN)B(O)O)C(=O)CCc1ccccc1 Show InChI InChI=1S/C17H28BN3O4/c1-21(17(23)11-10-14-7-3-2-4-8-14)13-16(22)20-15(18(24)25)9-5-6-12-19/h2-4,7-8,15,24-25H,5-6,9-13,19H2,1H3,(H,20,22)/t15-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 1.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
In vitro for inhibition of thrombin. |
Bioorg Med Chem Lett 6: 2913-2918 (1996)
Article DOI: 10.1016/S0960-894X(96)00525-2
BindingDB Entry DOI: 10.7270/Q2V40V6S |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50288402
(Borolysine analogue | CHEMBL431814)Show SMILES CN=C(N)NCCC[C@H](NC(=O)CN(C)C(=O)CCc1ccccc1)B(O)O |w:1.0| Show InChI InChI=1S/C18H30BN5O4/c1-21-18(20)22-12-6-9-15(19(27)28)23-16(25)13-24(2)17(26)11-10-14-7-4-3-5-8-14/h3-5,7-8,15,27-28H,6,9-13H2,1-2H3,(H,23,25)(H3,20,21,22)/t15-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
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Similars
| Article
| 2.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
In vitro for inhibition of thrombin. |
Bioorg Med Chem Lett 6: 2913-2918 (1996)
Article DOI: 10.1016/S0960-894X(96)00525-2
BindingDB Entry DOI: 10.7270/Q2V40V6S |
More data for this
Ligand-Target Pair | |
Serine protease 1
(Homo sapiens (Human)) | BDBM50288409
(CHEMBL99309 | N-[(5-Amino-1-dihydroxyboranyl-penty...)Show SMILES NCCCC[C@H](NC(=O)CN(CCc1ccccc1)C(=O)CCc1ccccc1)B(O)O Show InChI InChI=1S/C24H34BN3O4/c26-17-8-7-13-22(25(31)32)27-23(29)19-28(18-16-21-11-5-2-6-12-21)24(30)15-14-20-9-3-1-4-10-20/h1-6,9-12,22,31-32H,7-8,13-19,26H2,(H,27,29)/t22-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 2.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Compound was tested in vitro for inhibition of trypsin |
Bioorg Med Chem Lett 6: 2913-2918 (1996)
Article DOI: 10.1016/S0960-894X(96)00525-2
BindingDB Entry DOI: 10.7270/Q2V40V6S |
More data for this
Ligand-Target Pair | |
Serine protease 1
(Homo sapiens (Human)) | BDBM50069174
(Boronate Ester analogue | CHEMBL317682 | N-[(5-Ami...)Show SMILES CN(CC(=O)N[C@@H](CCCCN)B(O)O)C(=O)CCc1ccccc1 Show InChI InChI=1S/C17H28BN3O4/c1-21(17(23)11-10-14-7-3-2-4-8-14)13-16(22)20-15(18(24)25)9-5-6-12-19/h2-4,7-8,15,24-25H,5-6,9-13,19H2,1H3,(H,20,22)/t15-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 2.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Compound was tested in vitro for inhibition of trypsin |
Bioorg Med Chem Lett 6: 2913-2918 (1996)
Article DOI: 10.1016/S0960-894X(96)00525-2
BindingDB Entry DOI: 10.7270/Q2V40V6S |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50288614
((3R,4S)-3-{(S)-2-[(R)-5-Amino-1-((1S,2S,6R,8S)-2,9...)Show SMILES Cl.[H][C@@]12C[C@@]([H])(C1(C)C)[C@]1(C)OB(O[C@]1([H])C2)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@H]1CN(C[C@@H]1c1cccc(c1)C(F)(F)F)C(=O)OC(C)(C)C |TLB:10:9:6:3,THB:11:9:6:3,13:14:6:3| Show InChI InChI=1S/C37H54BF3N4O6.ClH/c1-34(2,3)49-33(48)44-20-25(22-11-9-12-23(17-22)37(39,40)41)26(21-44)32(47)45-16-10-13-27(45)31(46)43-30(14-7-8-15-42)38-50-29-19-24-18-28(35(24,4)5)36(29,6)51-38;/h9,11-12,17,24-30H,7-8,10,13-16,18-21,42H2,1-6H3,(H,43,46);1H/t24-,25+,26-,27-,28-,29+,30-,36-;/m0./s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 3.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Compound was evaluated for the inhibitory activity against thrombin. |
Bioorg Med Chem Lett 6: 295-300 (1996)
Article DOI: 10.1016/0960-894X(96)00015-7
BindingDB Entry DOI: 10.7270/Q2DZ089B |
More data for this
Ligand-Target Pair | |
Serine protease 1
(Homo sapiens (Human)) | BDBM50288403
(CHEMBL330206 | N-[(5-Amino-1-dihydroxyboranyl-pent...)Show SMILES CC(C)N(CC(=O)N[C@@H](CCCCN)B(O)O)C(=O)CCc1ccccc1 Show InChI InChI=1S/C19H32BN3O4/c1-15(2)23(19(25)12-11-16-8-4-3-5-9-16)14-18(24)22-17(20(26)27)10-6-7-13-21/h3-5,8-9,15,17,26-27H,6-7,10-14,21H2,1-2H3,(H,22,24)/t17-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 3.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Compound was tested in vitro for inhibition of trypsin |
Bioorg Med Chem Lett 6: 2913-2918 (1996)
Article DOI: 10.1016/S0960-894X(96)00525-2
BindingDB Entry DOI: 10.7270/Q2V40V6S |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50288404
(CHEMBL101707 | N-[(5-Amino-1-dihydroxyboranyl-pent...)Show SMILES NCCCC[C@H](NC(=O)CN(Cc1ccccc1)C(=O)CCc1ccccc1)B(O)O Show InChI InChI=1S/C23H32BN3O4/c25-16-8-7-13-21(24(30)31)26-22(28)18-27(17-20-11-5-2-6-12-20)23(29)15-14-19-9-3-1-4-10-19/h1-6,9-12,21,30-31H,7-8,13-18,25H2,(H,26,28)/t21-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 4.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
In vitro for inhibition of thrombin. |
Bioorg Med Chem Lett 6: 2913-2918 (1996)
Article DOI: 10.1016/S0960-894X(96)00525-2
BindingDB Entry DOI: 10.7270/Q2V40V6S |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50288400
(CHEMBL419892 | N-[(5-Amino-1-dihydroxyboranyl-pent...)Show SMILES NCCCC[C@H](NC(=O)CN(C1CCCCC1)C(=O)CCc1ccccc1)B(O)O Show InChI InChI=1S/C22H36BN3O4/c24-16-8-7-13-20(23(29)30)25-21(27)17-26(19-11-5-2-6-12-19)22(28)15-14-18-9-3-1-4-10-18/h1,3-4,9-10,19-20,29-30H,2,5-8,11-17,24H2,(H,25,27)/t20-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 4.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
In vitro for inhibition of thrombin. |
Bioorg Med Chem Lett 6: 2913-2918 (1996)
Article DOI: 10.1016/S0960-894X(96)00525-2
BindingDB Entry DOI: 10.7270/Q2V40V6S |
More data for this
Ligand-Target Pair | |
Plasminogen
(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
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| Article
| 5.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
In vitro for inhibition of plasmin |
Bioorg Med Chem Lett 6: 2913-2918 (1996)
Article DOI: 10.1016/S0960-894X(96)00525-2
BindingDB Entry DOI: 10.7270/Q2V40V6S |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50288412
(CHEMBL330149 | N-[(5-Amino-1-dihydroxyboranyl-pent...)Show SMILES CN(CC(=O)N[C@@H](CCCCN)B(O)O)C(=O)CCCc1ccccc1 Show InChI InChI=1S/C18H30BN3O4/c1-22(18(24)12-7-10-15-8-3-2-4-9-15)14-17(23)21-16(19(25)26)11-5-6-13-20/h2-4,8-9,16,25-26H,5-7,10-14,20H2,1H3,(H,21,23)/t16-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 5.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
In vitro for inhibition of thrombin. |
Bioorg Med Chem Lett 6: 2913-2918 (1996)
Article DOI: 10.1016/S0960-894X(96)00525-2
BindingDB Entry DOI: 10.7270/Q2V40V6S |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50288618
((S)-1-[(3R,4S)-4-(3-Trifluoromethyl-phenyl)-pyrrol...)Show SMILES Cl.Cl.[H][C@@]12C[C@@]([H])(C1(C)C)[C@]1(C)OB(O[C@]1([H])C2)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@H]1CNC[C@@H]1c1cccc(c1)C(F)(F)F |TLB:11:10:7:4,THB:12:10:7:4,14:15:7:4| Show InChI InChI=1S/C32H46BF3N4O4.2ClH/c1-30(2)21-15-25(30)31(3)26(16-21)43-33(44-31)27(11-4-5-12-37)39-28(41)24-10-7-13-40(24)29(42)23-18-38-17-22(23)19-8-6-9-20(14-19)32(34,35)36;;/h6,8-9,14,21-27,38H,4-5,7,10-13,15-18,37H2,1-3H3,(H,39,41);2*1H/t21-,22+,23-,24-,25-,26+,27-,31-;;/m0../s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 5.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Compound was evaluated for the inhibitory activity against thrombin. |
Bioorg Med Chem Lett 6: 295-300 (1996)
Article DOI: 10.1016/0960-894X(96)00015-7
BindingDB Entry DOI: 10.7270/Q2DZ089B |
More data for this
Ligand-Target Pair | |
Tissue-type plasminogen activator
(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
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| Article
| 5.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Compound was tested in vitro for inhibition of tissue plasminogen activator |
Bioorg Med Chem Lett 6: 2913-2918 (1996)
Article DOI: 10.1016/S0960-894X(96)00525-2
BindingDB Entry DOI: 10.7270/Q2V40V6S |
More data for this
Ligand-Target Pair | |
Serine protease 1
(Homo sapiens (Human)) | BDBM50288400
(CHEMBL419892 | N-[(5-Amino-1-dihydroxyboranyl-pent...)Show SMILES NCCCC[C@H](NC(=O)CN(C1CCCCC1)C(=O)CCc1ccccc1)B(O)O Show InChI InChI=1S/C22H36BN3O4/c24-16-8-7-13-20(23(29)30)25-21(27)17-26(19-11-5-2-6-12-19)22(28)15-14-18-9-3-1-4-10-18/h1,3-4,9-10,19-20,29-30H,2,5-8,11-17,24H2,(H,25,27)/t20-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 8.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Compound was tested in vitro for inhibition of trypsin |
Bioorg Med Chem Lett 6: 2913-2918 (1996)
Article DOI: 10.1016/S0960-894X(96)00525-2
BindingDB Entry DOI: 10.7270/Q2V40V6S |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50288410
(CHEMBL95993 | N-[(1-Dihydroxyboranyl-4-formimidoyl...)Show SMILES CN(CC(=O)N[C@@H](CCCNC=N)B(O)O)C(=O)CCc1ccccc1 Show InChI InChI=1S/C17H27BN4O4/c1-22(17(24)10-9-14-6-3-2-4-7-14)12-16(23)21-15(18(25)26)8-5-11-20-13-19/h2-4,6-7,13,15,25-26H,5,8-12H2,1H3,(H2,19,20)(H,21,23)/t15-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 9.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
In vitro for inhibition of thrombin. |
Bioorg Med Chem Lett 6: 2913-2918 (1996)
Article DOI: 10.1016/S0960-894X(96)00525-2
BindingDB Entry DOI: 10.7270/Q2V40V6S |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50288411
(CHEMBL100187 | N-[(5-Amino-1-dihydroxyboranyl-pent...)Show SMILES CN(CC(=O)N[C@@H](CCCCN)B(O)O)C(=O)Cc1ccccc1 Show InChI InChI=1S/C16H26BN3O4/c1-20(16(22)11-13-7-3-2-4-8-13)12-15(21)19-14(17(23)24)9-5-6-10-18/h2-4,7-8,14,23-24H,5-6,9-12,18H2,1H3,(H,19,21)/t14-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 16 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
In vitro for inhibition of thrombin. |
Bioorg Med Chem Lett 6: 2913-2918 (1996)
Article DOI: 10.1016/S0960-894X(96)00525-2
BindingDB Entry DOI: 10.7270/Q2V40V6S |
More data for this
Ligand-Target Pair | |
Serine protease 1
(Homo sapiens (Human)) | BDBM50288402
(Borolysine analogue | CHEMBL431814)Show SMILES CN=C(N)NCCC[C@H](NC(=O)CN(C)C(=O)CCc1ccccc1)B(O)O |w:1.0| Show InChI InChI=1S/C18H30BN5O4/c1-21-18(20)22-12-6-9-15(19(27)28)23-16(25)13-24(2)17(26)11-10-14-7-4-3-5-8-14/h3-5,7-8,15,27-28H,6,9-13H2,1-2H3,(H,23,25)(H3,20,21,22)/t15-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 18 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Compound was tested in vitro for inhibition of trypsin |
Bioorg Med Chem Lett 6: 2913-2918 (1996)
Article DOI: 10.1016/S0960-894X(96)00525-2
BindingDB Entry DOI: 10.7270/Q2V40V6S |
More data for this
Ligand-Target Pair | |
Serine protease 1
(Homo sapiens (Human)) | BDBM50288410
(CHEMBL95993 | N-[(1-Dihydroxyboranyl-4-formimidoyl...)Show SMILES CN(CC(=O)N[C@@H](CCCNC=N)B(O)O)C(=O)CCc1ccccc1 Show InChI InChI=1S/C17H27BN4O4/c1-22(17(24)10-9-14-6-3-2-4-7-14)12-16(23)21-15(18(25)26)8-5-11-20-13-19/h2-4,6-7,13,15,25-26H,5,8-12H2,1H3,(H2,19,20)(H,21,23)/t15-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 21 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Compound was tested in vitro for inhibition of trypsin |
Bioorg Med Chem Lett 6: 2913-2918 (1996)
Article DOI: 10.1016/S0960-894X(96)00525-2
BindingDB Entry DOI: 10.7270/Q2V40V6S |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50288613
((S)-1-((1S,2S)-2-Phenyl-cyclohexanecarbonyl)-pyrro...)Show SMILES CC1(C)[C@H]2C[C@@H]1C1(C)OB(OC1C2)C(CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@H]1CCCC[C@@H]1c1ccccc1 Show InChI InChI=1S/C33H50BN3O4/c1-32(2)23-20-27(32)33(3)28(21-23)40-34(41-33)29(17-9-10-18-35)36-30(38)26-16-11-19-37(26)31(39)25-15-8-7-14-24(25)22-12-5-4-6-13-22/h4-6,12-13,23-29H,7-11,14-21,35H2,1-3H3,(H,36,38)/t23-,24+,25-,26-,27-,28?,29?,33?/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Compound was evaluated for the inhibitory activity against thrombin. |
Bioorg Med Chem Lett 6: 295-300 (1996)
Article DOI: 10.1016/0960-894X(96)00015-7
BindingDB Entry DOI: 10.7270/Q2DZ089B |
More data for this
Ligand-Target Pair | |
Tissue-type plasminogen activator
(Homo sapiens (Human)) | BDBM50288405
(CHEMBL95940 | N-[(1-Dihydroxyboranyl-4-guanidino-b...)Show SMILES CN(CC(=O)N[C@@H](CCCNC(N)=N)B(O)O)C(=O)CCc1ccccc1 Show InChI InChI=1S/C17H28BN5O4/c1-23(16(25)10-9-13-6-3-2-4-7-13)12-15(24)22-14(18(26)27)8-5-11-21-17(19)20/h2-4,6-7,14,26-27H,5,8-12H2,1H3,(H,22,24)(H4,19,20,21)/t14-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 51 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Compound was tested in vitro for inhibition of tissue plasminogen activator |
Bioorg Med Chem Lett 6: 2913-2918 (1996)
Article DOI: 10.1016/S0960-894X(96)00525-2
BindingDB Entry DOI: 10.7270/Q2V40V6S |
More data for this
Ligand-Target Pair | |
Prothrombin
(Bos taurus (Bovine)) | 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
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Article
| 55 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Concentration necessary to double time for clot formation induced by bovine thrombin |
Bioorg Med Chem Lett 6: 2913-2918 (1996)
Article DOI: 10.1016/S0960-894X(96)00525-2
BindingDB Entry DOI: 10.7270/Q2V40V6S |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Prothrombin
(Bos taurus (Bovine)) | BDBM50288408
(1-(3-Phenyl-propionyl)-pyrrolidine-2-carboxylic ac...)Show SMILES NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CCc1ccccc1)B(O)O Show InChI InChI=1S/C19H30BN3O4/c21-13-5-4-10-17(20(26)27)22-19(25)16-9-6-14-23(16)18(24)12-11-15-7-2-1-3-8-15/h1-3,7-8,16-17,26-27H,4-6,9-14,21H2,(H,22,25)/t16-,17-/m0/s1 | PDB
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| 100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Concentration necessary to double time for clot formation induced by bovine thrombin |
Bioorg Med Chem Lett 6: 2913-2918 (1996)
Article DOI: 10.1016/S0960-894X(96)00525-2
BindingDB Entry DOI: 10.7270/Q2V40V6S |
More data for this
Ligand-Target Pair | |
Prothrombin
(Bos taurus (Bovine)) | BDBM50288405
(CHEMBL95940 | N-[(1-Dihydroxyboranyl-4-guanidino-b...)Show SMILES CN(CC(=O)N[C@@H](CCCNC(N)=N)B(O)O)C(=O)CCc1ccccc1 Show InChI InChI=1S/C17H28BN5O4/c1-23(16(25)10-9-13-6-3-2-4-7-13)12-15(24)22-14(18(26)27)8-5-11-21-17(19)20/h2-4,6-7,14,26-27H,5,8-12H2,1H3,(H,22,24)(H4,19,20,21)/t14-/m0/s1 | PDB
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| 100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Concentration necessary to double time for clot formation induced by bovine thrombin |
Bioorg Med Chem Lett 6: 2913-2918 (1996)
Article DOI: 10.1016/S0960-894X(96)00525-2
BindingDB Entry DOI: 10.7270/Q2V40V6S |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50288401
(CHEMBL317587 | N-[(5-Amino-1-dihydroxyboranyl-pent...)Show InChI InChI=1S/C15H24BN3O4/c1-19(15(21)12-7-3-2-4-8-12)11-14(20)18-13(16(22)23)9-5-6-10-17/h2-4,7-8,13,22-23H,5-6,9-11,17H2,1H3,(H,18,20)/t13-/m0/s1 | PDB
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| 123 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
In vitro for inhibition of thrombin. |
Bioorg Med Chem Lett 6: 2913-2918 (1996)
Article DOI: 10.1016/S0960-894X(96)00525-2
BindingDB Entry DOI: 10.7270/Q2V40V6S |
More data for this
Ligand-Target Pair | |
Prothrombin
(Bos taurus (Bovine)) | BDBM50288403
(CHEMBL330206 | N-[(5-Amino-1-dihydroxyboranyl-pent...)Show SMILES CC(C)N(CC(=O)N[C@@H](CCCCN)B(O)O)C(=O)CCc1ccccc1 Show InChI InChI=1S/C19H32BN3O4/c1-15(2)23(19(25)12-11-16-8-4-3-5-9-16)14-18(24)22-17(20(26)27)10-6-7-13-21/h3-5,8-9,15,17,26-27H,6-7,10-14,21H2,1-2H3,(H,22,24)/t17-/m0/s1 | PDB
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| 125 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Concentration necessary to double time for clot formation induced by bovine thrombin |
Bioorg Med Chem Lett 6: 2913-2918 (1996)
Article DOI: 10.1016/S0960-894X(96)00525-2
BindingDB Entry DOI: 10.7270/Q2V40V6S |
More data for this
Ligand-Target Pair | |
Plasminogen
(Homo sapiens (Human)) | BDBM50288403
(CHEMBL330206 | N-[(5-Amino-1-dihydroxyboranyl-pent...)Show SMILES CC(C)N(CC(=O)N[C@@H](CCCCN)B(O)O)C(=O)CCc1ccccc1 Show InChI InChI=1S/C19H32BN3O4/c1-15(2)23(19(25)12-11-16-8-4-3-5-9-16)14-18(24)22-17(20(26)27)10-6-7-13-21/h3-5,8-9,15,17,26-27H,6-7,10-14,21H2,1-2H3,(H,22,24)/t17-/m0/s1 | PDB
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| 140 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
In vitro for inhibition of plasmin |
Bioorg Med Chem Lett 6: 2913-2918 (1996)
Article DOI: 10.1016/S0960-894X(96)00525-2
BindingDB Entry DOI: 10.7270/Q2V40V6S |
More data for this
Ligand-Target Pair | |
Prothrombin
(Bos taurus (Bovine)) | BDBM50069174
(Boronate Ester analogue | CHEMBL317682 | N-[(5-Ami...)Show SMILES CN(CC(=O)N[C@@H](CCCCN)B(O)O)C(=O)CCc1ccccc1 Show InChI InChI=1S/C17H28BN3O4/c1-21(17(23)11-10-14-7-3-2-4-8-14)13-16(22)20-15(18(24)25)9-5-6-12-19/h2-4,7-8,15,24-25H,5-6,9-13,19H2,1H3,(H,20,22)/t15-/m0/s1 | PDB
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| 150 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Concentration necessary to double time for clot formation induced by bovine thrombin |
Bioorg Med Chem Lett 6: 2913-2918 (1996)
Article DOI: 10.1016/S0960-894X(96)00525-2
BindingDB Entry DOI: 10.7270/Q2V40V6S |
More data for this
Ligand-Target Pair | |
Prothrombin
(Bos taurus (Bovine)) | BDBM50288413
(CHEMBL101759 | N-[(5-Amino-1-dihydroxyboranyl-pent...)Show SMILES NCCCC[C@H](NC(=O)CN(C(=O)CCc1ccccc1)c1ccccc1)B(O)O Show InChI InChI=1S/C22H30BN3O4/c24-16-8-7-13-20(23(29)30)25-21(27)17-26(19-11-5-2-6-12-19)22(28)15-14-18-9-3-1-4-10-18/h1-6,9-12,20,29-30H,7-8,13-17,24H2,(H,25,27)/t20-/m0/s1 | PDB
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| 150 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Concentration necessary to double time for clot formation induced by bovine thrombin |
Bioorg Med Chem Lett 6: 2913-2918 (1996)
Article DOI: 10.1016/S0960-894X(96)00525-2
BindingDB Entry DOI: 10.7270/Q2V40V6S |
More data for this
Ligand-Target Pair | |
Plasminogen
(Homo sapiens (Human)) | BDBM50288407
(CHEMBL317137 | N-[(5-Amino-1-dihydroxyboranyl-pent...)Show SMILES NCCCC[C@H](NC(=O)CN(C1CC1)C(=O)CCc1ccccc1)B(O)O Show InChI InChI=1S/C19H30BN3O4/c21-13-5-4-8-17(20(26)27)22-18(24)14-23(16-10-11-16)19(25)12-9-15-6-2-1-3-7-15/h1-3,6-7,16-17,26-27H,4-5,8-14,21H2,(H,22,24)/t17-/m0/s1 | PDB
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UniChem
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| Article
| 160 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
In vitro for inhibition of plasmin |
Bioorg Med Chem Lett 6: 2913-2918 (1996)
Article DOI: 10.1016/S0960-894X(96)00525-2
BindingDB Entry DOI: 10.7270/Q2V40V6S |
More data for this
Ligand-Target Pair | |
Plasminogen
(Homo sapiens (Human)) | BDBM50288409
(CHEMBL99309 | N-[(5-Amino-1-dihydroxyboranyl-penty...)Show SMILES NCCCC[C@H](NC(=O)CN(CCc1ccccc1)C(=O)CCc1ccccc1)B(O)O Show InChI InChI=1S/C24H34BN3O4/c26-17-8-7-13-22(25(31)32)27-23(29)19-28(18-16-21-11-5-2-6-12-21)24(30)15-14-20-9-3-1-4-10-20/h1-6,9-12,22,31-32H,7-8,13-19,26H2,(H,27,29)/t22-/m0/s1 | PDB
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| Article
| 170 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
In vitro for inhibition of plasmin |
Bioorg Med Chem Lett 6: 2913-2918 (1996)
Article DOI: 10.1016/S0960-894X(96)00525-2
BindingDB Entry DOI: 10.7270/Q2V40V6S |
More data for this
Ligand-Target Pair | |
Prothrombin
(Bos taurus (Bovine)) | BDBM50288409
(CHEMBL99309 | N-[(5-Amino-1-dihydroxyboranyl-penty...)Show SMILES NCCCC[C@H](NC(=O)CN(CCc1ccccc1)C(=O)CCc1ccccc1)B(O)O Show InChI InChI=1S/C24H34BN3O4/c26-17-8-7-13-22(25(31)32)27-23(29)19-28(18-16-21-11-5-2-6-12-21)24(30)15-14-20-9-3-1-4-10-20/h1-6,9-12,22,31-32H,7-8,13-19,26H2,(H,27,29)/t22-/m0/s1 | PDB
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| 200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Concentration necessary to double time for clot formation induced by bovine thrombin |
Bioorg Med Chem Lett 6: 2913-2918 (1996)
Article DOI: 10.1016/S0960-894X(96)00525-2
BindingDB Entry DOI: 10.7270/Q2V40V6S |
More data for this
Ligand-Target Pair | |
Prothrombin
(Bos taurus (Bovine)) | BDBM50288414
(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](CCCCN)B(O)O Show InChI InChI=1S/C21H33BN4O5/c1-15(27)24-17(14-16-8-3-2-4-9-16)21(29)26-13-7-10-18(26)20(28)25-19(22(30)31)11-5-6-12-23/h2-4,8-9,17-19,30-31H,5-7,10-14,23H2,1H3,(H,24,27)(H,25,28)/t17-,18+,19+/m1/s1 | PDB
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| PDB
Article
| 200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Concentration necessary to double time for clot formation induced by bovine thrombin |
Bioorg Med Chem Lett 6: 2913-2918 (1996)
Article DOI: 10.1016/S0960-894X(96)00525-2
BindingDB Entry DOI: 10.7270/Q2V40V6S |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Prothrombin
(Bos taurus (Bovine)) | BDBM50288407
(CHEMBL317137 | N-[(5-Amino-1-dihydroxyboranyl-pent...)Show SMILES NCCCC[C@H](NC(=O)CN(C1CC1)C(=O)CCc1ccccc1)B(O)O Show InChI InChI=1S/C19H30BN3O4/c21-13-5-4-8-17(20(26)27)22-18(24)14-23(16-10-11-16)19(25)12-9-15-6-2-1-3-7-15/h1-3,6-7,16-17,26-27H,4-5,8-14,21H2,(H,22,24)/t17-/m0/s1 | PDB
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PC cid
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| 200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Concentration necessary to double time for clot formation induced by bovine thrombin |
Bioorg Med Chem Lett 6: 2913-2918 (1996)
Article DOI: 10.1016/S0960-894X(96)00525-2
BindingDB Entry DOI: 10.7270/Q2V40V6S |
More data for this
Ligand-Target Pair | |
Plasminogen
(Homo sapiens (Human)) | BDBM50288413
(CHEMBL101759 | N-[(5-Amino-1-dihydroxyboranyl-pent...)Show SMILES NCCCC[C@H](NC(=O)CN(C(=O)CCc1ccccc1)c1ccccc1)B(O)O Show InChI InChI=1S/C22H30BN3O4/c24-16-8-7-13-20(23(29)30)25-21(27)17-26(19-11-5-2-6-12-19)22(28)15-14-18-9-3-1-4-10-18/h1-6,9-12,20,29-30H,7-8,13-17,24H2,(H,25,27)/t20-/m0/s1 | PDB
MMDB
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| CHEMBL
PC cid
PC sid
UniChem
| Article
| 230 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
In vitro for inhibition of plasmin |
Bioorg Med Chem Lett 6: 2913-2918 (1996)
Article DOI: 10.1016/S0960-894X(96)00525-2
BindingDB Entry DOI: 10.7270/Q2V40V6S |
More data for this
Ligand-Target Pair | |
Plasminogen
(Homo sapiens (Human)) | BDBM50288400
(CHEMBL419892 | N-[(5-Amino-1-dihydroxyboranyl-pent...)Show SMILES NCCCC[C@H](NC(=O)CN(C1CCCCC1)C(=O)CCc1ccccc1)B(O)O Show InChI InChI=1S/C22H36BN3O4/c24-16-8-7-13-20(23(29)30)25-21(27)17-26(19-11-5-2-6-12-19)22(28)15-14-18-9-3-1-4-10-18/h1,3-4,9-10,19-20,29-30H,2,5-8,11-17,24H2,(H,25,27)/t20-/m0/s1 | PDB
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UniChem
Similars
| Article
| 250 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
In vitro for inhibition of plasmin |
Bioorg Med Chem Lett 6: 2913-2918 (1996)
Article DOI: 10.1016/S0960-894X(96)00525-2
BindingDB Entry DOI: 10.7270/Q2V40V6S |
More data for this
Ligand-Target Pair | |
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