Found 54 hits of Enzyme Inhibition Constant Data Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kJ/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
Prothrombin
(Homo sapiens (Human)) | BDBM50500077
(CHEMBL3742405)Show SMILES CCn1c(CNc2ccc(cc2F)C(N)=N)nc2cc(ccc12)C(=O)N(CCC(O)=O)c1ccc(F)c(Cl)c1 Show InChI InChI=1S/C27H25ClF2N6O3/c1-2-35-23-8-4-16(27(39)36(10-9-25(37)38)17-5-6-19(29)18(28)13-17)12-22(23)34-24(35)14-33-21-7-3-15(26(31)32)11-20(21)30/h3-8,11-13,33H,2,9-10,14H2,1H3,(H3,31,32)(H,37,38) | PDB
UniProtKB/SwissProt
antibodypedia
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AffyNet 
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Shanghai Institute of Technology
Curated by ChEMBL
| Assay Description
Inhibition of thrombin (unknown origin) |
Bioorg Med Chem 24: 73-84 (2016)
Article DOI: 10.1016/j.bmc.2015.11.025
BindingDB Entry DOI: 10.7270/Q2X92F8T |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50432209
(BIBR-1048 | BIBR-1048-BS-RS1 | DABIGATRAN ETEXILAT...)Show SMILES CCCCCCOC(=O)N=C(N)c1ccc(NCc2nc3cc(ccc3n2C)C(=O)N(CCC(=O)OCC)c2ccccn2)cc1 |w:9.8| Show InChI InChI=1S/C34H41N7O5/c1-4-6-7-10-21-46-34(44)39-32(35)24-12-15-26(16-13-24)37-23-30-38-27-22-25(14-17-28(27)40(30)3)33(43)41(20-18-31(42)45-5-2)29-11-8-9-19-36-29/h8-9,11-17,19,22,37H,4-7,10,18,20-21,23H2,1-3H3,(H2,35,39,44) | PDB
UniProtKB/SwissProt
antibodypedia
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PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Shanghai Institute of Technology
Curated by ChEMBL
| Assay Description
Inhibition of human thrombin preincubated for 10 mins using Ac-FVR-AMC as substrate by chromogenic assay |
Bioorg Med Chem 24: 73-84 (2016)
Article DOI: 10.1016/j.bmc.2015.11.025
BindingDB Entry DOI: 10.7270/Q2X92F8T |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50112086
(3-({2-[(4-Carbamimidoyl-phenylamino)-methyl]-1-met...)Show SMILES Cn1c(CNc2ccc(cc2)C(N)=N)nc2cc(ccc12)C(=O)N(CCC(O)=O)c1ccccn1 Show InChI InChI=1S/C25H25N7O3/c1-31-20-10-7-17(25(35)32(13-11-23(33)34)21-4-2-3-12-28-21)14-19(20)30-22(31)15-29-18-8-5-16(6-9-18)24(26)27/h2-10,12,14,29H,11,13,15H2,1H3,(H3,26,27)(H,33,34) | PDB
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CHEMBL
MCE
MMDB
PC cid
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PDB
UniChem
Patents
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| Article
PubMed
| n/a | n/a | 2.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Shanghai Institute of Technology
Curated by ChEMBL
| Assay Description
Inhibition of thrombin (unknown origin) |
Bioorg Med Chem 24: 73-84 (2016)
Article DOI: 10.1016/j.bmc.2015.11.025
BindingDB Entry DOI: 10.7270/Q2X92F8T |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50432209
(BIBR-1048 | BIBR-1048-BS-RS1 | DABIGATRAN ETEXILAT...)Show SMILES CCCCCCOC(=O)N=C(N)c1ccc(NCc2nc3cc(ccc3n2C)C(=O)N(CCC(=O)OCC)c2ccccn2)cc1 |w:9.8| Show InChI InChI=1S/C34H41N7O5/c1-4-6-7-10-21-46-34(44)39-32(35)24-12-15-26(16-13-24)37-23-30-38-27-22-25(14-17-28(27)40(30)3)33(43)41(20-18-31(42)45-5-2)29-11-8-9-19-36-29/h8-9,11-17,19,22,37H,4-7,10,18,20-21,23H2,1-3H3,(H2,35,39,44) | PDB
UniProtKB/SwissProt
antibodypedia
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| Purchase
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PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Shanghai Institute of Technology
Curated by ChEMBL
| Assay Description
Inhibition of human thrombin preincubated for 10 mins using Ac-FVR-AMC as substrate by chromogenic assay |
Bioorg Med Chem 24: 73-84 (2016)
Article DOI: 10.1016/j.bmc.2015.11.025
BindingDB Entry DOI: 10.7270/Q2X92F8T |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50079891
(CHEMBL3415214)Show SMILES Cn1c(CNc2ccc(cc2)C(N)=N)nc2cc(ccc12)C(=O)N(CCC(O)=O)c1ccccc1F Show InChI InChI=1S/C26H25FN6O3/c1-32-22-11-8-17(26(36)33(13-12-24(34)35)21-5-3-2-4-19(21)27)14-20(22)31-23(32)15-30-18-9-6-16(7-10-18)25(28)29/h2-11,14,30H,12-13,15H2,1H3,(H3,28,29)(H,34,35) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
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| Article
PubMed
| n/a | n/a | 3.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Shanghai Institute of Technology
Curated by ChEMBL
| Assay Description
Inhibition of thrombin (unknown origin) |
Bioorg Med Chem 24: 73-84 (2016)
Article DOI: 10.1016/j.bmc.2015.11.025
BindingDB Entry DOI: 10.7270/Q2X92F8T |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50079890
(CHEMBL3415215)Show SMILES CCn1c(CNc2ccc(cc2F)C(N)=N)nc2cc(ccc12)C(=O)N(CCC(O)=O)c1ccccn1 Show InChI InChI=1S/C26H26FN7O3/c1-2-33-21-9-7-17(26(37)34(12-10-24(35)36)22-5-3-4-11-30-22)14-20(21)32-23(33)15-31-19-8-6-16(25(28)29)13-18(19)27/h3-9,11,13-14,31H,2,10,12,15H2,1H3,(H3,28,29)(H,35,36) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 3.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Shanghai Institute of Technology
Curated by ChEMBL
| Assay Description
Inhibition of thrombin (unknown origin) |
Bioorg Med Chem 24: 73-84 (2016)
Article DOI: 10.1016/j.bmc.2015.11.025
BindingDB Entry DOI: 10.7270/Q2X92F8T |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50079958
(CHEMBL3415062)Show SMILES Cn1c(CNc2ccc(cc2F)C(N)=N)nc2cc(ccc12)C(=O)N(CCC(O)=O)c1ccccn1 Show InChI InChI=1S/C25H24FN7O3/c1-32-20-8-6-16(25(36)33(11-9-23(34)35)21-4-2-3-10-29-21)13-19(20)31-22(32)14-30-18-7-5-15(24(27)28)12-17(18)26/h2-8,10,12-13,30H,9,11,14H2,1H3,(H3,27,28)(H,34,35) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Shanghai Institute of Technology
Curated by ChEMBL
| Assay Description
Inhibition of thrombin (unknown origin) |
Bioorg Med Chem 24: 73-84 (2016)
Article DOI: 10.1016/j.bmc.2015.11.025
BindingDB Entry DOI: 10.7270/Q2X92F8T |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50500060
(CHEMBL3740288)Show SMILES CCn1c(CNc2ccc(cc2)C(N)=N)nc2cc(ccc12)C(=O)N(CCC(O)=O)c1ccccc1F Show InChI InChI=1S/C27H27FN6O3/c1-2-33-23-12-9-18(27(37)34(14-13-25(35)36)22-6-4-3-5-20(22)28)15-21(23)32-24(33)16-31-19-10-7-17(8-11-19)26(29)30/h3-12,15,31H,2,13-14,16H2,1H3,(H3,29,30)(H,35,36) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Shanghai Institute of Technology
Curated by ChEMBL
| Assay Description
Inhibition of thrombin (unknown origin) |
Bioorg Med Chem 24: 73-84 (2016)
Article DOI: 10.1016/j.bmc.2015.11.025
BindingDB Entry DOI: 10.7270/Q2X92F8T |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50079897
(CHEMBL3415209)Show SMILES CCn1c(CNc2ccc(cc2F)C(N)=N)nc2cc(ccc12)C(=O)N(CCC(O)=O)c1ccccc1F Show InChI InChI=1S/C27H26F2N6O3/c1-2-34-23-10-8-17(27(38)35(12-11-25(36)37)22-6-4-3-5-18(22)28)14-21(23)33-24(34)15-32-20-9-7-16(26(30)31)13-19(20)29/h3-10,13-14,32H,2,11-12,15H2,1H3,(H3,30,31)(H,36,37) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Shanghai Institute of Technology
Curated by ChEMBL
| Assay Description
Inhibition of thrombin (unknown origin) |
Bioorg Med Chem 24: 73-84 (2016)
Article DOI: 10.1016/j.bmc.2015.11.025
BindingDB Entry DOI: 10.7270/Q2X92F8T |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50500063
(CHEMBL3740928)Show SMILES Cn1c(CNc2ccc(cc2)C(N)=N)nc2cc(ccc12)C(=O)N(CCC(O)=O)c1ccc(F)c(F)c1 Show InChI InChI=1S/C26H24F2N6O3/c1-33-22-9-4-16(26(37)34(11-10-24(35)36)18-7-8-19(27)20(28)13-18)12-21(22)32-23(33)14-31-17-5-2-15(3-6-17)25(29)30/h2-9,12-13,31H,10-11,14H2,1H3,(H3,29,30)(H,35,36) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Shanghai Institute of Technology
Curated by ChEMBL
| Assay Description
Inhibition of human thrombin preincubated for 10 mins using Ac-FVR-AMC as substrate by chromogenic assay |
Bioorg Med Chem 24: 73-84 (2016)
Article DOI: 10.1016/j.bmc.2015.11.025
BindingDB Entry DOI: 10.7270/Q2X92F8T |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50500063
(CHEMBL3740928)Show SMILES Cn1c(CNc2ccc(cc2)C(N)=N)nc2cc(ccc12)C(=O)N(CCC(O)=O)c1ccc(F)c(F)c1 Show InChI InChI=1S/C26H24F2N6O3/c1-33-22-9-4-16(26(37)34(11-10-24(35)36)18-7-8-19(27)20(28)13-18)12-21(22)32-23(33)14-31-17-5-2-15(3-6-17)25(29)30/h2-9,12-13,31H,10-11,14H2,1H3,(H3,29,30)(H,35,36) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Shanghai Institute of Technology
Curated by ChEMBL
| Assay Description
Inhibition of human thrombin preincubated for 10 mins using Ac-FVR-AMC as substrate by chromogenic assay |
Bioorg Med Chem 24: 73-84 (2016)
Article DOI: 10.1016/j.bmc.2015.11.025
BindingDB Entry DOI: 10.7270/Q2X92F8T |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50500086
(CHEMBL3741212)Show SMILES CCn1c(CNc2ccc(cc2)C(N)=N)nc2cc(ccc12)C(=O)N(CCC(O)=O)c1ccc(F)cc1 Show InChI InChI=1S/C27H27FN6O3/c1-2-33-23-12-5-18(27(37)34(14-13-25(35)36)21-10-6-19(28)7-11-21)15-22(23)32-24(33)16-31-20-8-3-17(4-9-20)26(29)30/h3-12,15,31H,2,13-14,16H2,1H3,(H3,29,30)(H,35,36) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 4.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Shanghai Institute of Technology
Curated by ChEMBL
| Assay Description
Inhibition of thrombin (unknown origin) |
Bioorg Med Chem 24: 73-84 (2016)
Article DOI: 10.1016/j.bmc.2015.11.025
BindingDB Entry DOI: 10.7270/Q2X92F8T |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50079967
(CHEMBL3415059)Show SMILES Cn1c(CNc2ccc(cc2F)C(N)=N)nc2cc(ccc12)C(=O)N(CCC(O)=O)c1cccc(F)c1 Show InChI InChI=1S/C26H24F2N6O3/c1-33-22-8-6-16(26(37)34(10-9-24(35)36)18-4-2-3-17(27)13-18)12-21(22)32-23(33)14-31-20-7-5-15(25(29)30)11-19(20)28/h2-8,11-13,31H,9-10,14H2,1H3,(H3,29,30)(H,35,36) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Shanghai Institute of Technology
Curated by ChEMBL
| Assay Description
Inhibition of thrombin (unknown origin) |
Bioorg Med Chem 24: 73-84 (2016)
Article DOI: 10.1016/j.bmc.2015.11.025
BindingDB Entry DOI: 10.7270/Q2X92F8T |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50079969
(CHEMBL3415058)Show SMILES COc1cccc(c1)N(CCC(O)=O)C(=O)c1ccc2n(C)c(CNc3ccc(cc3F)C(N)=N)nc2c1 Show InChI InChI=1S/C27H27FN6O4/c1-33-23-9-7-17(27(37)34(11-10-25(35)36)18-4-3-5-19(14-18)38-2)13-22(23)32-24(33)15-31-21-8-6-16(26(29)30)12-20(21)28/h3-9,12-14,31H,10-11,15H2,1-2H3,(H3,29,30)(H,35,36) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Shanghai Institute of Technology
Curated by ChEMBL
| Assay Description
Inhibition of thrombin (unknown origin) |
Bioorg Med Chem 24: 73-84 (2016)
Article DOI: 10.1016/j.bmc.2015.11.025
BindingDB Entry DOI: 10.7270/Q2X92F8T |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50079893
(CHEMBL3414580)Show SMILES CCn1c(CNc2ccc(cc2F)C(N)=N)nc2cc(ccc12)C(=O)N(CCC(O)=O)c1ccc(F)cc1 Show InChI InChI=1S/C27H26F2N6O3/c1-2-34-23-10-4-17(27(38)35(12-11-25(36)37)19-7-5-18(28)6-8-19)14-22(23)33-24(34)15-32-21-9-3-16(26(30)31)13-20(21)29/h3-10,13-14,32H,2,11-12,15H2,1H3,(H3,30,31)(H,36,37) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 4.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Shanghai Institute of Technology
Curated by ChEMBL
| Assay Description
Inhibition of thrombin (unknown origin) |
Bioorg Med Chem 24: 73-84 (2016)
Article DOI: 10.1016/j.bmc.2015.11.025
BindingDB Entry DOI: 10.7270/Q2X92F8T |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50079970
(CHEMBL3415057)Show SMILES Cn1c(CNc2ccc(cc2F)C(N)=N)nc2cc(ccc12)C(=O)N(CCC(O)=O)c1ccccc1F Show InChI InChI=1S/C26H24F2N6O3/c1-33-22-9-7-16(26(37)34(11-10-24(35)36)21-5-3-2-4-17(21)27)13-20(22)32-23(33)14-31-19-8-6-15(25(29)30)12-18(19)28/h2-9,12-13,31H,10-11,14H2,1H3,(H3,29,30)(H,35,36) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Shanghai Institute of Technology
Curated by ChEMBL
| Assay Description
Inhibition of thrombin (unknown origin) |
Bioorg Med Chem 24: 73-84 (2016)
Article DOI: 10.1016/j.bmc.2015.11.025
BindingDB Entry DOI: 10.7270/Q2X92F8T |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50079895
(CHEMBL3415211)Show SMILES CCn1c(CNc2ccc(cc2F)C(N)=N)nc2cc(ccc12)C(=O)N(CCC(O)=O)c1cccc(F)c1 Show InChI InChI=1S/C27H26F2N6O3/c1-2-34-23-9-7-17(27(38)35(11-10-25(36)37)19-5-3-4-18(28)14-19)13-22(23)33-24(34)15-32-21-8-6-16(26(30)31)12-20(21)29/h3-9,12-14,32H,2,10-11,15H2,1H3,(H3,30,31)(H,36,37) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 4.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Shanghai Institute of Technology
Curated by ChEMBL
| Assay Description
Inhibition of thrombin (unknown origin) |
Bioorg Med Chem 24: 73-84 (2016)
Article DOI: 10.1016/j.bmc.2015.11.025
BindingDB Entry DOI: 10.7270/Q2X92F8T |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50500081
(CHEMBL3741603)Show SMILES Cn1c(CNc2ccc(cc2)C(N)=N)nc2cc(ccc12)C(=O)N(CCC(O)=O)c1ccccc1C(F)(F)F Show InChI InChI=1S/C27H25F3N6O3/c1-35-22-11-8-17(14-20(22)34-23(35)15-33-18-9-6-16(7-10-18)25(31)32)26(39)36(13-12-24(37)38)21-5-3-2-4-19(21)27(28,29)30/h2-11,14,33H,12-13,15H2,1H3,(H3,31,32)(H,37,38) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Shanghai Institute of Technology
Curated by ChEMBL
| Assay Description
Inhibition of human thrombin preincubated for 10 mins using Ac-FVR-AMC as substrate by chromogenic assay |
Bioorg Med Chem 24: 73-84 (2016)
Article DOI: 10.1016/j.bmc.2015.11.025
BindingDB Entry DOI: 10.7270/Q2X92F8T |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50500081
(CHEMBL3741603)Show SMILES Cn1c(CNc2ccc(cc2)C(N)=N)nc2cc(ccc12)C(=O)N(CCC(O)=O)c1ccccc1C(F)(F)F Show InChI InChI=1S/C27H25F3N6O3/c1-35-22-11-8-17(14-20(22)34-23(35)15-33-18-9-6-16(7-10-18)25(31)32)26(39)36(13-12-24(37)38)21-5-3-2-4-19(21)27(28,29)30/h2-11,14,33H,12-13,15H2,1H3,(H3,31,32)(H,37,38) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Shanghai Institute of Technology
Curated by ChEMBL
| Assay Description
Inhibition of human thrombin preincubated for 10 mins using Ac-FVR-AMC as substrate by chromogenic assay |
Bioorg Med Chem 24: 73-84 (2016)
Article DOI: 10.1016/j.bmc.2015.11.025
BindingDB Entry DOI: 10.7270/Q2X92F8T |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50500085
(CHEMBL3740439)Show SMILES Cn1c(CNc2ccc(cc2)C(N)=N)nc2cc(ccc12)C(=O)N(CCC(O)=O)c1cccc(F)c1 Show InChI InChI=1S/C26H25FN6O3/c1-32-22-10-7-17(26(36)33(12-11-24(34)35)20-4-2-3-18(27)14-20)13-21(22)31-23(32)15-30-19-8-5-16(6-9-19)25(28)29/h2-10,13-14,30H,11-12,15H2,1H3,(H3,28,29)(H,34,35) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 5.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Shanghai Institute of Technology
Curated by ChEMBL
| Assay Description
Inhibition of thrombin (unknown origin) |
Bioorg Med Chem 24: 73-84 (2016)
Article DOI: 10.1016/j.bmc.2015.11.025
BindingDB Entry DOI: 10.7270/Q2X92F8T |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50079959
(CHEMBL3415061)Show SMILES Cn1c(CNc2ccc(cc2F)C(N)=N)nc2cc(ccc12)C(=O)N(CCC(O)=O)c1ccc(F)cc1 Show InChI InChI=1S/C26H24F2N6O3/c1-33-22-9-3-16(26(37)34(11-10-24(35)36)18-6-4-17(27)5-7-18)13-21(22)32-23(33)14-31-20-8-2-15(25(29)30)12-19(20)28/h2-9,12-13,31H,10-11,14H2,1H3,(H3,29,30)(H,35,36) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Shanghai Institute of Technology
Curated by ChEMBL
| Assay Description
Inhibition of thrombin (unknown origin) |
Bioorg Med Chem 24: 73-84 (2016)
Article DOI: 10.1016/j.bmc.2015.11.025
BindingDB Entry DOI: 10.7270/Q2X92F8T |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50079937
(CHEMBL3415064)Show SMILES CCn1c(CNc2ccc(cc2F)C(N)=N)nc2cc(ccc12)C(=O)N(CCC(O)=O)c1ccccc1 Show InChI InChI=1S/C27H27FN6O3/c1-2-33-23-11-9-18(27(37)34(13-12-25(35)36)19-6-4-3-5-7-19)15-22(23)32-24(33)16-31-21-10-8-17(26(29)30)14-20(21)28/h3-11,14-15,31H,2,12-13,16H2,1H3,(H3,29,30)(H,35,36) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 5.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Shanghai Institute of Technology
Curated by ChEMBL
| Assay Description
Inhibition of thrombin (unknown origin) |
Bioorg Med Chem 24: 73-84 (2016)
Article DOI: 10.1016/j.bmc.2015.11.025
BindingDB Entry DOI: 10.7270/Q2X92F8T |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50079973
(CHEMBL3415055)Show SMILES Cn1c(CNc2ccc(cc2F)C(N)=N)nc2cc(ccc12)C(=O)N(CCC(O)=O)c1ccccc1 Show InChI InChI=1S/C26H25FN6O3/c1-32-22-10-8-17(26(36)33(12-11-24(34)35)18-5-3-2-4-6-18)14-21(22)31-23(32)15-30-20-9-7-16(25(28)29)13-19(20)27/h2-10,13-14,30H,11-12,15H2,1H3,(H3,28,29)(H,34,35) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Shanghai Institute of Technology
Curated by ChEMBL
| Assay Description
Inhibition of thrombin (unknown origin) |
Bioorg Med Chem 24: 73-84 (2016)
Article DOI: 10.1016/j.bmc.2015.11.025
BindingDB Entry DOI: 10.7270/Q2X92F8T |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50500065
(CHEMBL3739445)Show SMILES CCn1c(CNc2ccc(cc2)C(N)=N)nc2cc(ccc12)C(=O)N(CCC(O)=O)c1ccccc1C(F)(F)F Show InChI InChI=1S/C28H27F3N6O3/c1-2-36-23-12-9-18(15-21(23)35-24(36)16-34-19-10-7-17(8-11-19)26(32)33)27(40)37(14-13-25(38)39)22-6-4-3-5-20(22)28(29,30)31/h3-12,15,34H,2,13-14,16H2,1H3,(H3,32,33)(H,38,39) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 6.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Shanghai Institute of Technology
Curated by ChEMBL
| Assay Description
Inhibition of thrombin (unknown origin) |
Bioorg Med Chem 24: 73-84 (2016)
Article DOI: 10.1016/j.bmc.2015.11.025
BindingDB Entry DOI: 10.7270/Q2X92F8T |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50079972
(CHEMBL3415056)Show SMILES Cc1ccccc1N(CCC(O)=O)C(=O)c1ccc2n(C)c(CNc3ccc(cc3F)C(N)=N)nc2c1 Show InChI InChI=1S/C27H27FN6O3/c1-16-5-3-4-6-22(16)34(12-11-25(35)36)27(37)18-8-10-23-21(14-18)32-24(33(23)2)15-31-20-9-7-17(26(29)30)13-19(20)28/h3-10,13-14,31H,11-12,15H2,1-2H3,(H3,29,30)(H,35,36) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Shanghai Institute of Technology
Curated by ChEMBL
| Assay Description
Inhibition of thrombin (unknown origin) |
Bioorg Med Chem 24: 73-84 (2016)
Article DOI: 10.1016/j.bmc.2015.11.025
BindingDB Entry DOI: 10.7270/Q2X92F8T |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50079936
(CHEMBL3415065)Show SMILES CCn1c(CNc2ccc(cc2F)C(N)=N)nc2cc(ccc12)C(=O)N(CCC(O)=O)c1ccccc1C Show InChI InChI=1S/C28H29FN6O3/c1-3-34-24-11-9-19(28(38)35(13-12-26(36)37)23-7-5-4-6-17(23)2)15-22(24)33-25(34)16-32-21-10-8-18(27(30)31)14-20(21)29/h4-11,14-15,32H,3,12-13,16H2,1-2H3,(H3,30,31)(H,36,37) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Shanghai Institute of Technology
Curated by ChEMBL
| Assay Description
Inhibition of thrombin (unknown origin) |
Bioorg Med Chem 24: 73-84 (2016)
Article DOI: 10.1016/j.bmc.2015.11.025
BindingDB Entry DOI: 10.7270/Q2X92F8T |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50500071
(CHEMBL3741604)Show SMILES CCn1c(CNc2ccc(cc2)C(N)=N)nc2cc(ccc12)C(=O)N(CCC(O)=O)c1cccc(F)c1 Show InChI InChI=1S/C27H27FN6O3/c1-2-33-23-11-8-18(27(37)34(13-12-25(35)36)21-5-3-4-19(28)15-21)14-22(23)32-24(33)16-31-20-9-6-17(7-10-20)26(29)30/h3-11,14-15,31H,2,12-13,16H2,1H3,(H3,29,30)(H,35,36) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 7.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Shanghai Institute of Technology
Curated by ChEMBL
| Assay Description
Inhibition of thrombin (unknown origin) |
Bioorg Med Chem 24: 73-84 (2016)
Article DOI: 10.1016/j.bmc.2015.11.025
BindingDB Entry DOI: 10.7270/Q2X92F8T |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50500069
(CHEMBL3740265)Show SMILES CCn1c(CNc2ccc(cc2)C(N)=N)nc2cc(ccc12)C(=O)N(CCC(O)=O)c1cc(F)cc(F)c1 Show InChI InChI=1S/C27H26F2N6O3/c1-2-34-23-8-5-17(27(38)35(10-9-25(36)37)21-13-18(28)12-19(29)14-21)11-22(23)33-24(34)15-32-20-6-3-16(4-7-20)26(30)31/h3-8,11-14,32H,2,9-10,15H2,1H3,(H3,30,31)(H,36,37) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 7.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Shanghai Institute of Technology
Curated by ChEMBL
| Assay Description
Inhibition of thrombin (unknown origin) |
Bioorg Med Chem 24: 73-84 (2016)
Article DOI: 10.1016/j.bmc.2015.11.025
BindingDB Entry DOI: 10.7270/Q2X92F8T |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50079896
(CHEMBL3415210)Show SMILES CCn1c(CNc2ccc(cc2F)C(N)=N)nc2cc(ccc12)C(=O)N(CCC(O)=O)c1cccc(OC)c1 Show InChI InChI=1S/C28H29FN6O4/c1-3-34-24-10-8-18(28(38)35(12-11-26(36)37)19-5-4-6-20(15-19)39-2)14-23(24)33-25(34)16-32-22-9-7-17(27(30)31)13-21(22)29/h4-10,13-15,32H,3,11-12,16H2,1-2H3,(H3,30,31)(H,36,37) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 8.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Shanghai Institute of Technology
Curated by ChEMBL
| Assay Description
Inhibition of thrombin (unknown origin) |
Bioorg Med Chem 24: 73-84 (2016)
Article DOI: 10.1016/j.bmc.2015.11.025
BindingDB Entry DOI: 10.7270/Q2X92F8T |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50500075
(CHEMBL3742093)Show SMILES Cn1c(CNc2ccc(cc2)C(N)=N)nc2cc(ccc12)C(=O)N(CCC(O)=O)c1ccc(F)c(Cl)c1 Show InChI InChI=1S/C26H24ClFN6O3/c1-33-22-9-4-16(26(37)34(11-10-24(35)36)18-7-8-20(28)19(27)13-18)12-21(22)32-23(33)14-31-17-5-2-15(3-6-17)25(29)30/h2-9,12-13,31H,10-11,14H2,1H3,(H3,29,30)(H,35,36) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 8.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Shanghai Institute of Technology
Curated by ChEMBL
| Assay Description
Inhibition of thrombin (unknown origin) |
Bioorg Med Chem 24: 73-84 (2016)
Article DOI: 10.1016/j.bmc.2015.11.025
BindingDB Entry DOI: 10.7270/Q2X92F8T |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50500084
(CHEMBL3741884)Show SMILES CCn1c(CNc2ccc(cc2)C(N)=N)nc2cc(ccc12)C(=O)N(CCC(O)=O)c1ccc(F)c(Cl)c1 Show InChI InChI=1S/C27H26ClFN6O3/c1-2-34-23-10-5-17(27(38)35(12-11-25(36)37)19-8-9-21(29)20(28)14-19)13-22(23)33-24(34)15-32-18-6-3-16(4-7-18)26(30)31/h3-10,13-14,32H,2,11-12,15H2,1H3,(H3,30,31)(H,36,37) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 8.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Shanghai Institute of Technology
Curated by ChEMBL
| Assay Description
Inhibition of thrombin (unknown origin) |
Bioorg Med Chem 24: 73-84 (2016)
Article DOI: 10.1016/j.bmc.2015.11.025
BindingDB Entry DOI: 10.7270/Q2X92F8T |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50500064
(CHEMBL3740921)Show SMILES CCn1c(CNc2ccc(cc2)C(N)=N)nc2cc(ccc12)C(=O)N(CCC(O)=O)c1ccc(F)c(F)c1 Show InChI InChI=1S/C27H26F2N6O3/c1-2-34-23-10-5-17(27(38)35(12-11-25(36)37)19-8-9-20(28)21(29)14-19)13-22(23)33-24(34)15-32-18-6-3-16(4-7-18)26(30)31/h3-10,13-14,32H,2,11-12,15H2,1H3,(H3,30,31)(H,36,37) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 9.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Shanghai Institute of Technology
Curated by ChEMBL
| Assay Description
Inhibition of thrombin (unknown origin) |
Bioorg Med Chem 24: 73-84 (2016)
Article DOI: 10.1016/j.bmc.2015.11.025
BindingDB Entry DOI: 10.7270/Q2X92F8T |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50500070
(CHEMBL3741504)Show SMILES Cn1c(CNc2ccc(cc2)C(N)=N)nc2cc(ccc12)C(=O)N(CCC(O)=O)c1cc(F)cc(F)c1 Show InChI InChI=1S/C26H24F2N6O3/c1-33-22-7-4-16(26(37)34(9-8-24(35)36)20-12-17(27)11-18(28)13-20)10-21(22)32-23(33)14-31-19-5-2-15(3-6-19)25(29)30/h2-7,10-13,31H,8-9,14H2,1H3,(H3,29,30)(H,35,36) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Shanghai Institute of Technology
Curated by ChEMBL
| Assay Description
Inhibition of thrombin (unknown origin) |
Bioorg Med Chem 24: 73-84 (2016)
Article DOI: 10.1016/j.bmc.2015.11.025
BindingDB Entry DOI: 10.7270/Q2X92F8T |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50500087
(CHEMBL3740491)Show SMILES CCCn1c(CNc2ccc(cc2)C(N)=N)nc2cc(ccc12)C(=O)N(CCC(O)=O)c1ccc(F)c(Cl)c1 Show InChI InChI=1S/C28H28ClFN6O3/c1-2-12-36-24-10-5-18(28(39)35(13-11-26(37)38)20-8-9-22(30)21(29)15-20)14-23(24)34-25(36)16-33-19-6-3-17(4-7-19)27(31)32/h3-10,14-15,33H,2,11-13,16H2,1H3,(H3,31,32)(H,37,38) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Shanghai Institute of Technology
Curated by ChEMBL
| Assay Description
Inhibition of thrombin (unknown origin) |
Bioorg Med Chem 24: 73-84 (2016)
Article DOI: 10.1016/j.bmc.2015.11.025
BindingDB Entry DOI: 10.7270/Q2X92F8T |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50500074
(CHEMBL3740267)Show SMILES Cn1c(CNc2ccc(cc2F)C(N)=N)nc2cc(ccc12)C(=O)N(CCC(O)=O)c1ccc(F)c(Cl)c1 Show InChI InChI=1S/C26H23ClF2N6O3/c1-34-22-7-3-15(26(38)35(9-8-24(36)37)16-4-5-18(28)17(27)12-16)11-21(22)33-23(34)13-32-20-6-2-14(25(30)31)10-19(20)29/h2-7,10-12,32H,8-9,13H2,1H3,(H3,30,31)(H,36,37) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Shanghai Institute of Technology
Curated by ChEMBL
| Assay Description
Inhibition of thrombin (unknown origin) |
Bioorg Med Chem 24: 73-84 (2016)
Article DOI: 10.1016/j.bmc.2015.11.025
BindingDB Entry DOI: 10.7270/Q2X92F8T |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50500080
(CHEMBL3739822)Show SMILES Cn1c(CNc2ccc(cc2)C(N)=N)nc2cc(ccc12)C(=O)N(CCC(O)=O)c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C27H25F3N6O3/c1-35-22-10-7-17(13-21(22)34-23(35)15-33-19-8-5-16(6-9-19)25(31)32)26(39)36(12-11-24(37)38)20-4-2-3-18(14-20)27(28,29)30/h2-10,13-14,33H,11-12,15H2,1H3,(H3,31,32)(H,37,38) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Shanghai Institute of Technology
Curated by ChEMBL
| Assay Description
Inhibition of thrombin (unknown origin) |
Bioorg Med Chem 24: 73-84 (2016)
Article DOI: 10.1016/j.bmc.2015.11.025
BindingDB Entry DOI: 10.7270/Q2X92F8T |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50079892
(CHEMBL3415213)Show SMILES CCn1c(CNc2ccc(cc2F)C(N)=N)nc2cc(ccc12)C(=O)N(CCC(O)=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C27H26ClFN6O3/c1-2-34-23-10-4-17(27(38)35(12-11-25(36)37)19-7-5-18(28)6-8-19)14-22(23)33-24(34)15-32-21-9-3-16(26(30)31)13-20(21)29/h3-10,13-14,32H,2,11-12,15H2,1H3,(H3,30,31)(H,36,37) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Shanghai Institute of Technology
Curated by ChEMBL
| Assay Description
Inhibition of thrombin (unknown origin) |
Bioorg Med Chem 24: 73-84 (2016)
Article DOI: 10.1016/j.bmc.2015.11.025
BindingDB Entry DOI: 10.7270/Q2X92F8T |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50079960
(CHEMBL3415060)Show SMILES COc1ccc(cc1)N(CCC(O)=O)C(=O)c1ccc2n(C)c(CNc3ccc(cc3F)C(N)=N)nc2c1 Show InChI InChI=1S/C27H27FN6O4/c1-33-23-10-4-17(27(37)34(12-11-25(35)36)18-5-7-19(38-2)8-6-18)14-22(23)32-24(33)15-31-21-9-3-16(26(29)30)13-20(21)28/h3-10,13-14,31H,11-12,15H2,1-2H3,(H3,29,30)(H,35,36) | PDB
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UniChem
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| Article
PubMed
| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
Shanghai Institute of Technology
Curated by ChEMBL
| Assay Description
Inhibition of thrombin (unknown origin) |
Bioorg Med Chem 24: 73-84 (2016)
Article DOI: 10.1016/j.bmc.2015.11.025
BindingDB Entry DOI: 10.7270/Q2X92F8T |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50500083
(CHEMBL3741020)Show SMILES CC(C)n1c(CNc2ccc(cc2F)C(N)=N)nc2cc(ccc12)C(=O)N(CCC(O)=O)c1ccc(F)c(Cl)c1 Show InChI InChI=1S/C28H27ClF2N6O3/c1-15(2)37-24-8-4-17(28(40)36(10-9-26(38)39)18-5-6-20(30)19(29)13-18)12-23(24)35-25(37)14-34-22-7-3-16(27(32)33)11-21(22)31/h3-8,11-13,15,34H,9-10,14H2,1-2H3,(H3,32,33)(H,38,39) | PDB
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| Article
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| n/a | n/a | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
Shanghai Institute of Technology
Curated by ChEMBL
| Assay Description
Inhibition of thrombin (unknown origin) |
Bioorg Med Chem 24: 73-84 (2016)
Article DOI: 10.1016/j.bmc.2015.11.025
BindingDB Entry DOI: 10.7270/Q2X92F8T |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50168134
(CHEMBL3741532)Show SMILES CCn1c(CNc2ccc(cc2F)C(N)=N)nc2cc(ccc12)C(=O)N(CCC(O)=O)c1cc(C)ccn1 Show InChI InChI=1S/C27H28FN7O3/c1-3-34-22-7-5-18(27(38)35(11-9-25(36)37)23-12-16(2)8-10-31-23)14-21(22)33-24(34)15-32-20-6-4-17(26(29)30)13-19(20)28/h4-8,10,12-14,32H,3,9,11,15H2,1-2H3,(H3,29,30)(H,36,37) | PDB
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| Article
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| n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
Shanghai Institute of Technology
Curated by ChEMBL
| Assay Description
Inhibition of thrombin (unknown origin) |
Bioorg Med Chem 24: 73-84 (2016)
Article DOI: 10.1016/j.bmc.2015.11.025
BindingDB Entry DOI: 10.7270/Q2X92F8T |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50500066
(CHEMBL3739660)Show SMILES CC(C)n1c(CNc2ccc(cc2)C(N)=N)nc2cc(ccc12)C(=O)N(CCC(O)=O)c1ccc(F)c(Cl)c1 Show InChI InChI=1S/C28H28ClFN6O3/c1-16(2)36-24-10-5-18(28(39)35(12-11-26(37)38)20-8-9-22(30)21(29)14-20)13-23(24)34-25(36)15-33-19-6-3-17(4-7-19)27(31)32/h3-10,13-14,16,33H,11-12,15H2,1-2H3,(H3,31,32)(H,37,38) | PDB
UniProtKB/SwissProt
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| Article
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| n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
Shanghai Institute of Technology
Curated by ChEMBL
| Assay Description
Inhibition of thrombin (unknown origin) |
Bioorg Med Chem 24: 73-84 (2016)
Article DOI: 10.1016/j.bmc.2015.11.025
BindingDB Entry DOI: 10.7270/Q2X92F8T |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50079898
(CHEMBL3415066)Show SMILES CCn1c(CNc2ccc(cc2F)C(N)=N)nc2cc(ccc12)C(=O)N(CCC(O)=O)c1ccccc1OC Show InChI InChI=1S/C28H29FN6O4/c1-3-34-22-11-9-18(28(38)35(13-12-26(36)37)23-6-4-5-7-24(23)39-2)15-21(22)33-25(34)16-32-20-10-8-17(27(30)31)14-19(20)29/h4-11,14-15,32H,3,12-13,16H2,1-2H3,(H3,30,31)(H,36,37) | PDB
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| Article
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| n/a | n/a | 21 | n/a | n/a | n/a | n/a | n/a | n/a |
Shanghai Institute of Technology
Curated by ChEMBL
| Assay Description
Inhibition of thrombin (unknown origin) |
Bioorg Med Chem 24: 73-84 (2016)
Article DOI: 10.1016/j.bmc.2015.11.025
BindingDB Entry DOI: 10.7270/Q2X92F8T |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50079894
(CHEMBL3415212)Show SMILES CCn1c(CNc2ccc(cc2F)C(N)=N)nc2cc(ccc12)C(=O)N(CCC(O)=O)c1ccc(OC)cc1 Show InChI InChI=1S/C28H29FN6O4/c1-3-34-24-11-5-18(28(38)35(13-12-26(36)37)19-6-8-20(39-2)9-7-19)15-23(24)33-25(34)16-32-22-10-4-17(27(30)31)14-21(22)29/h4-11,14-15,32H,3,12-13,16H2,1-2H3,(H3,30,31)(H,36,37) | PDB
UniProtKB/SwissProt
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| n/a | n/a | 23 | n/a | n/a | n/a | n/a | n/a | n/a |
Shanghai Institute of Technology
Curated by ChEMBL
| Assay Description
Inhibition of thrombin (unknown origin) |
Bioorg Med Chem 24: 73-84 (2016)
Article DOI: 10.1016/j.bmc.2015.11.025
BindingDB Entry DOI: 10.7270/Q2X92F8T |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50234842
(CHEMBL3740791)Show SMILES Cc1ccnc(c1)N(CCC(O)=O)C(=O)c1ccc2n(C)c(CNc3ccc(cc3F)C(N)=N)nc2c1 Show InChI InChI=1S/C26H26FN7O3/c1-15-7-9-30-22(11-15)34(10-8-24(35)36)26(37)17-4-6-21-20(13-17)32-23(33(21)2)14-31-19-5-3-16(25(28)29)12-18(19)27/h3-7,9,11-13,31H,8,10,14H2,1-2H3,(H3,28,29)(H,35,36) | PDB
UniProtKB/SwissProt
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| n/a | n/a | 24 | n/a | n/a | n/a | n/a | n/a | n/a |
Shanghai Institute of Technology
Curated by ChEMBL
| Assay Description
Inhibition of thrombin (unknown origin) |
Bioorg Med Chem 24: 73-84 (2016)
Article DOI: 10.1016/j.bmc.2015.11.025
BindingDB Entry DOI: 10.7270/Q2X92F8T |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50500068
(CHEMBL3739896)Show SMILES CCn1c(CNc2ccc(cc2)C(N)=N)nc2cc(ccc12)C(=O)N(CCC(O)=O)c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C28H27F3N6O3/c1-2-36-23-11-8-18(14-22(23)35-24(36)16-34-20-9-6-17(7-10-20)26(32)33)27(40)37(13-12-25(38)39)21-5-3-4-19(15-21)28(29,30)31/h3-11,14-15,34H,2,12-13,16H2,1H3,(H3,32,33)(H,38,39) | PDB
UniProtKB/SwissProt
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| PC cid
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| Article
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| n/a | n/a | 26 | n/a | n/a | n/a | n/a | n/a | n/a |
Shanghai Institute of Technology
Curated by ChEMBL
| Assay Description
Inhibition of thrombin (unknown origin) |
Bioorg Med Chem 24: 73-84 (2016)
Article DOI: 10.1016/j.bmc.2015.11.025
BindingDB Entry DOI: 10.7270/Q2X92F8T |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50500062
(CHEMBL3741174)Show SMILES NC(=N)c1ccc(NCc2nc3cc(ccc3n2C2CC2)C(=O)N(CCC(O)=O)c2ccc(F)c(Cl)c2)c(F)c1 Show InChI InChI=1S/C28H25ClF2N6O3/c29-19-13-18(5-6-20(19)30)36(10-9-26(38)39)28(40)16-2-8-24-23(12-16)35-25(37(24)17-3-4-17)14-34-22-7-1-15(27(32)33)11-21(22)31/h1-2,5-8,11-13,17,34H,3-4,9-10,14H2,(H3,32,33)(H,38,39) | PDB
UniProtKB/SwissProt
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| PC cid
PC sid
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| Article
PubMed
| n/a | n/a | 27 | n/a | n/a | n/a | n/a | n/a | n/a |
Shanghai Institute of Technology
Curated by ChEMBL
| Assay Description
Inhibition of thrombin (unknown origin) |
Bioorg Med Chem 24: 73-84 (2016)
Article DOI: 10.1016/j.bmc.2015.11.025
BindingDB Entry DOI: 10.7270/Q2X92F8T |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50500072
(CHEMBL3740201)Show SMILES NC(=N)c1ccc(NCc2nc3cc(ccc3n2C2CC2)C(=O)N(CCC(O)=O)c2ccc(F)c(Cl)c2)cc1 Show InChI InChI=1S/C28H26ClFN6O3/c29-21-14-20(8-9-22(21)30)35(12-11-26(37)38)28(39)17-3-10-24-23(13-17)34-25(36(24)19-6-7-19)15-33-18-4-1-16(2-5-18)27(31)32/h1-5,8-10,13-14,19,33H,6-7,11-12,15H2,(H3,31,32)(H,37,38) | PDB
UniProtKB/SwissProt
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| Article
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| n/a | n/a | 28 | n/a | n/a | n/a | n/a | n/a | n/a |
Shanghai Institute of Technology
Curated by ChEMBL
| Assay Description
Inhibition of thrombin (unknown origin) |
Bioorg Med Chem 24: 73-84 (2016)
Article DOI: 10.1016/j.bmc.2015.11.025
BindingDB Entry DOI: 10.7270/Q2X92F8T |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50500067
(CHEMBL3741549)Show SMILES CCCn1c(CNc2ccc(cc2F)C(N)=N)nc2cc(ccc12)C(=O)N(CCC(O)=O)c1ccc(F)c(Cl)c1 Show InChI InChI=1S/C28H27ClF2N6O3/c1-2-10-37-24-8-4-17(28(40)36(11-9-26(38)39)18-5-6-20(30)19(29)14-18)13-23(24)35-25(37)15-34-22-7-3-16(27(32)33)12-21(22)31/h3-8,12-14,34H,2,9-11,15H2,1H3,(H3,32,33)(H,38,39) | PDB
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| Article
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| n/a | n/a | 28 | n/a | n/a | n/a | n/a | n/a | n/a |
Shanghai Institute of Technology
Curated by ChEMBL
| Assay Description
Inhibition of thrombin (unknown origin) |
Bioorg Med Chem 24: 73-84 (2016)
Article DOI: 10.1016/j.bmc.2015.11.025
BindingDB Entry DOI: 10.7270/Q2X92F8T |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50500078
(CHEMBL3739534)Show SMILES CCCCn1c(CNc2ccc(cc2F)C(N)=N)nc2cc(ccc12)C(=O)N(CCC(O)=O)c1ccc(F)c(Cl)c1 Show InChI InChI=1S/C29H29ClF2N6O3/c1-2-3-11-38-25-9-5-18(29(41)37(12-10-27(39)40)19-6-7-21(31)20(30)15-19)14-24(25)36-26(38)16-35-23-8-4-17(28(33)34)13-22(23)32/h4-9,13-15,35H,2-3,10-12,16H2,1H3,(H3,33,34)(H,39,40) | PDB
UniProtKB/SwissProt
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| PC cid
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UniChem
| Article
PubMed
| n/a | n/a | 36 | n/a | n/a | n/a | n/a | n/a | n/a |
Shanghai Institute of Technology
Curated by ChEMBL
| Assay Description
Inhibition of thrombin (unknown origin) |
Bioorg Med Chem 24: 73-84 (2016)
Article DOI: 10.1016/j.bmc.2015.11.025
BindingDB Entry DOI: 10.7270/Q2X92F8T |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50500073
(CHEMBL3740081)Show SMILES CCCCn1c(CNc2ccc(cc2)C(N)=N)nc2cc(ccc12)C(=O)N(CCC(O)=O)c1ccc(F)c(Cl)c1 Show InChI InChI=1S/C29H30ClFN6O3/c1-2-3-13-37-25-11-6-19(29(40)36(14-12-27(38)39)21-9-10-23(31)22(30)16-21)15-24(25)35-26(37)17-34-20-7-4-18(5-8-20)28(32)33/h4-11,15-16,34H,2-3,12-14,17H2,1H3,(H3,32,33)(H,38,39) | PDB
UniProtKB/SwissProt
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| PC cid
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| Article
PubMed
| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
Shanghai Institute of Technology
Curated by ChEMBL
| Assay Description
Inhibition of thrombin (unknown origin) |
Bioorg Med Chem 24: 73-84 (2016)
Article DOI: 10.1016/j.bmc.2015.11.025
BindingDB Entry DOI: 10.7270/Q2X92F8T |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50500061
(CHEMBL3741623)Show SMILES CCn1c(CNc2ccc(cc2)C(N)=N)nc2cc(ccc12)C(=O)N(CCC(O)=O)c1ccc(OC(F)(F)F)cc1 Show InChI InChI=1S/C28H27F3N6O4/c1-2-36-23-12-5-18(15-22(23)35-24(36)16-34-19-6-3-17(4-7-19)26(32)33)27(40)37(14-13-25(38)39)20-8-10-21(11-9-20)41-28(29,30)31/h3-12,15,34H,2,13-14,16H2,1H3,(H3,32,33)(H,38,39) | PDB
UniProtKB/SwissProt
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AffyNet
| PC cid
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UniChem
| Article
PubMed
| n/a | n/a | 117 | n/a | n/a | n/a | n/a | n/a | n/a |
Shanghai Institute of Technology
Curated by ChEMBL
| Assay Description
Inhibition of thrombin (unknown origin) |
Bioorg Med Chem 24: 73-84 (2016)
Article DOI: 10.1016/j.bmc.2015.11.025
BindingDB Entry DOI: 10.7270/Q2X92F8T |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50500079
(CHEMBL3740805)Show SMILES CCCCCn1c(CNc2ccc(cc2)C(N)=N)nc2cc(ccc12)C(=O)N(CCC(O)=O)c1ccc(F)c(Cl)c1 Show InChI InChI=1S/C30H32ClFN6O3/c1-2-3-4-14-38-26-12-7-20(30(41)37(15-13-28(39)40)22-10-11-24(32)23(31)17-22)16-25(26)36-27(38)18-35-21-8-5-19(6-9-21)29(33)34/h5-12,16-17,35H,2-4,13-15,18H2,1H3,(H3,33,34)(H,39,40) | PDB
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| Article
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| n/a | n/a | 117 | n/a | n/a | n/a | n/a | n/a | n/a |
Shanghai Institute of Technology
Curated by ChEMBL
| Assay Description
Inhibition of thrombin (unknown origin) |
Bioorg Med Chem 24: 73-84 (2016)
Article DOI: 10.1016/j.bmc.2015.11.025
BindingDB Entry DOI: 10.7270/Q2X92F8T |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50500082
(CHEMBL3741628)Show SMILES CCCCCn1c(CNc2ccc(cc2F)C(N)=N)nc2cc(ccc12)C(=O)N(CCC(O)=O)c1ccc(F)c(Cl)c1 Show InChI InChI=1S/C30H31ClF2N6O3/c1-2-3-4-12-39-26-10-6-19(30(42)38(13-11-28(40)41)20-7-8-22(32)21(31)16-20)15-25(26)37-27(39)17-36-24-9-5-18(29(34)35)14-23(24)33/h5-10,14-16,36H,2-4,11-13,17H2,1H3,(H3,34,35)(H,40,41) | PDB
UniProtKB/SwissProt
antibodypedia
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 174 | n/a | n/a | n/a | n/a | n/a | n/a |
Shanghai Institute of Technology
Curated by ChEMBL
| Assay Description
Inhibition of thrombin (unknown origin) |
Bioorg Med Chem 24: 73-84 (2016)
Article DOI: 10.1016/j.bmc.2015.11.025
BindingDB Entry DOI: 10.7270/Q2X92F8T |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50500076
(CHEMBL3741895)Show SMILES CCn1c(CNc2ccc(cc2)C(N)=N)nc2cc(ccc12)C(=O)N(CCC(O)=O)c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C28H27F3N6O3/c1-2-36-23-12-5-18(15-22(23)35-24(36)16-34-20-8-3-17(4-9-20)26(32)33)27(40)37(14-13-25(38)39)21-10-6-19(7-11-21)28(29,30)31/h3-12,15,34H,2,13-14,16H2,1H3,(H3,32,33)(H,38,39) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
Shanghai Institute of Technology
Curated by ChEMBL
| Assay Description
Inhibition of thrombin (unknown origin) |
Bioorg Med Chem 24: 73-84 (2016)
Article DOI: 10.1016/j.bmc.2015.11.025
BindingDB Entry DOI: 10.7270/Q2X92F8T |
More data for this
Ligand-Target Pair | |
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