Found 28 hits Enz. Inhib. hit(s) with all data for entry = 50012903 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)) | BDBM50067797
(CHEMBL19080 | L-37378 | N-(6-Amino-2-methyl-pyridi...)Show SMILES Cc1nc(N)ccc1CNC(=O)Cn1c(C)cnc(NCCc2ccccc2)c1=O Show InChI InChI=1S/C22H26N6O2/c1-15-12-26-21(24-11-10-17-6-4-3-5-7-17)22(30)28(15)14-20(29)25-13-18-8-9-19(23)27-16(18)2/h3-9,12H,10-11,13-14H2,1-2H3,(H2,23,27)(H,24,26)(H,25,29) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 0.800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of Thrombin |
Bioorg Med Chem Lett 13: 795-8 (2003)
BindingDB Entry DOI: 10.7270/Q29C6WSJ |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50124086
(2-[6-Methyl-2-oxo-3-(2-pyridin-2-yl-ethylamino)-2H...)Show SMILES Cc1cnc(NCCc2ccccn2)c(=O)n1CC(=O)NCc1cc2cc[nH]c2cn1 Show InChI InChI=1S/C22H23N7O2/c1-15-11-28-21(25-9-6-17-4-2-3-7-23-17)22(31)29(15)14-20(30)27-12-18-10-16-5-8-24-19(16)13-26-18/h2-5,7-8,10-11,13,24H,6,9,12,14H2,1H3,(H,25,28)(H,27,30) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| 1.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of Thrombin |
Bioorg Med Chem Lett 13: 795-8 (2003)
BindingDB Entry DOI: 10.7270/Q29C6WSJ |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50124093
(CHEMBL355730 | N-(1H-Indol-5-ylmethyl)-2-[6-methyl...)Show SMILES Cc1cnc(NCCc2ccccn2)c(=O)n1CC(=O)NCc1ccc2[nH]ccc2c1 Show InChI InChI=1S/C23H24N6O2/c1-16-13-28-22(26-11-8-19-4-2-3-9-24-19)23(31)29(16)15-21(30)27-14-17-5-6-20-18(12-17)7-10-25-20/h2-7,9-10,12-13,25H,8,11,14-15H2,1H3,(H,26,28)(H,27,30) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| 1.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of Thrombin |
Bioorg Med Chem Lett 13: 795-8 (2003)
BindingDB Entry DOI: 10.7270/Q29C6WSJ |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50124091
(2-[6-Methyl-2-oxo-3-(2-pyridin-2-yl-ethylamino)-2H...)Show SMILES Cc1cnc(NCCc2ccccn2)c(=O)n1CC(=O)NCc1ccc2[nH]ccc2n1 Show InChI InChI=1S/C22H23N7O2/c1-15-12-27-21(25-10-7-16-4-2-3-9-23-16)22(31)29(15)14-20(30)26-13-17-5-6-18-19(28-17)8-11-24-18/h2-6,8-9,11-12,24H,7,10,13-14H2,1H3,(H,25,27)(H,26,30) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| 3.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of Thrombin |
Bioorg Med Chem Lett 13: 795-8 (2003)
BindingDB Entry DOI: 10.7270/Q29C6WSJ |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50124092
(2-(6-Methyl-2-oxo-3-phenethylamino-2H-pyrazin-1-yl...)Show SMILES Cc1cnc(NCCc2ccccc2)c(=O)n1CC(=O)NCc1cc2cc[nH]c2cn1 Show InChI InChI=1S/C23H24N6O2/c1-16-12-28-22(25-9-7-17-5-3-2-4-6-17)23(31)29(16)15-21(30)27-13-19-11-18-8-10-24-20(18)14-26-19/h2-6,8,10-12,14,24H,7,9,13,15H2,1H3,(H,25,28)(H,27,30) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| 3.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of Thrombin |
Bioorg Med Chem Lett 13: 795-8 (2003)
BindingDB Entry DOI: 10.7270/Q29C6WSJ |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50124090
(2-[6-Methyl-2-oxo-3-(2-pyridin-2-yl-ethylamino)-2H...)Show SMILES Cc1cnc(NCCc2ccccn2)c(=O)n1CC(=O)NCc1cnc2[nH]ccc2c1 Show InChI InChI=1S/C22H23N7O2/c1-15-11-27-21(25-9-6-18-4-2-3-7-23-18)22(31)29(15)14-19(30)26-12-16-10-17-5-8-24-20(17)28-13-16/h2-5,7-8,10-11,13H,6,9,12,14H2,1H3,(H,24,28)(H,25,27)(H,26,30) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| 6.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of Thrombin |
Bioorg Med Chem Lett 13: 795-8 (2003)
BindingDB Entry DOI: 10.7270/Q29C6WSJ |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50124087
(CHEMBL101563 | N-(1H-Benzoimidazol-5-ylmethyl)-2-(...)Show SMILES Cc1cnc(NCCc2ccccc2)c(=O)n1CC(=O)NCc1ccc2nc[nH]c2c1 Show InChI InChI=1S/C23H24N6O2/c1-16-12-26-22(24-10-9-17-5-3-2-4-6-17)23(31)29(16)14-21(30)25-13-18-7-8-19-20(11-18)28-15-27-19/h2-8,11-12,15H,9-10,13-14H2,1H3,(H,24,26)(H,25,30)(H,27,28) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of Thrombin |
Bioorg Med Chem Lett 13: 795-8 (2003)
BindingDB Entry DOI: 10.7270/Q29C6WSJ |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50124089
(2-(6-Methyl-2-oxo-3-phenethylamino-2H-pyrazin-1-yl...)Show SMILES Cc1cnc(NCCc2ccccc2)c(=O)n1CC(=O)NCc1ccc2[nH]ccc2n1 Show InChI InChI=1S/C23H24N6O2/c1-16-13-27-22(25-11-9-17-5-3-2-4-6-17)23(31)29(16)15-21(30)26-14-18-7-8-19-20(28-18)10-12-24-19/h2-8,10,12-13,24H,9,11,14-15H2,1H3,(H,25,27)(H,26,30) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of Thrombin |
Bioorg Med Chem Lett 13: 795-8 (2003)
BindingDB Entry DOI: 10.7270/Q29C6WSJ |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50124088
(CHEMBL353213 | N-(5-Methyl-imidazo[1,2-a]pyridin-6...)Show SMILES Cc1cnc(NCCc2ccccc2)c(=O)n1CC(=O)NCc1ccc2nccn2c1C Show InChI InChI=1S/C24H26N6O2/c1-17-14-28-23(26-11-10-19-6-4-3-5-7-19)24(32)30(17)16-22(31)27-15-20-8-9-21-25-12-13-29(21)18(20)2/h3-9,12-14H,10-11,15-16H2,1-2H3,(H,26,28)(H,27,31) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of Thrombin |
Bioorg Med Chem Lett 13: 795-8 (2003)
BindingDB Entry DOI: 10.7270/Q29C6WSJ |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50124097
(CHEMBL422387 | N-(1H-Indol-5-ylmethyl)-2-(6-methyl...)Show SMILES Cc1cnc(NCCc2ccccc2)c(=O)n1CC(=O)NCc1ccc2[nH]ccc2c1 Show InChI InChI=1S/C24H25N5O2/c1-17-14-28-23(26-11-9-18-5-3-2-4-6-18)24(31)29(17)16-22(30)27-15-19-7-8-21-20(13-19)10-12-25-21/h2-8,10,12-14,25H,9,11,15-16H2,1H3,(H,26,28)(H,27,30) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| 18 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of Thrombin |
Bioorg Med Chem Lett 13: 795-8 (2003)
BindingDB Entry DOI: 10.7270/Q29C6WSJ |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50124095
(2-(6-Methyl-2-oxo-3-phenethylamino-2H-pyrazin-1-yl...)Show SMILES Cc1cnc(NCCc2ccccc2)c(=O)n1CC(=O)NCc1cnc2[nH]ccc2c1 Show InChI InChI=1S/C23H24N6O2/c1-16-12-27-22(25-9-7-17-5-3-2-4-6-17)23(31)29(16)15-20(30)26-13-18-11-19-8-10-24-21(19)28-14-18/h2-6,8,10-12,14H,7,9,13,15H2,1H3,(H,24,28)(H,25,27)(H,26,30) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| 18 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of Thrombin |
Bioorg Med Chem Lett 13: 795-8 (2003)
BindingDB Entry DOI: 10.7270/Q29C6WSJ |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50124098
(CHEMBL167550 | N-Imidazo[1,2-a]pyridin-6-ylmethyl-...)Show SMILES Cc1cnc(NCCc2ccccc2)c(=O)n1CC(=O)NCc1ccc2nccn2c1 Show InChI InChI=1S/C23H24N6O2/c1-17-13-27-22(25-10-9-18-5-3-2-4-6-18)23(31)29(17)16-21(30)26-14-19-7-8-20-24-11-12-28(20)15-19/h2-8,11-13,15H,9-10,14,16H2,1H3,(H,25,27)(H,26,30) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| 140 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of Thrombin |
Bioorg Med Chem Lett 13: 795-8 (2003)
BindingDB Entry DOI: 10.7270/Q29C6WSJ |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50124096
(CHEMBL166602 | N-Imidazo[1,2-a]pyridin-7-ylmethyl-...)Show SMILES Cc1cnc(NCCc2ccccc2)c(=O)n1CC(=O)NCc1ccn2ccnc2c1 Show InChI InChI=1S/C23H24N6O2/c1-17-14-27-22(25-9-7-18-5-3-2-4-6-18)23(31)29(17)16-21(30)26-15-19-8-11-28-12-10-24-20(28)13-19/h2-6,8,10-14H,7,9,15-16H2,1H3,(H,25,27)(H,26,30) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| 270 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of Thrombin |
Bioorg Med Chem Lett 13: 795-8 (2003)
BindingDB Entry DOI: 10.7270/Q29C6WSJ |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50124094
(CHEMBL166530 | N-(1H-Indol-6-ylmethyl)-2-(6-methyl...)Show SMILES Cc1cnc(NCCc2ccccc2)c(=O)n1CC(=O)NCc1ccc2cc[nH]c2c1 Show InChI InChI=1S/C24H25N5O2/c1-17-14-28-23(26-11-9-18-5-3-2-4-6-18)24(31)29(17)16-22(30)27-15-19-7-8-20-10-12-25-21(20)13-19/h2-8,10,12-14,25H,9,11,15-16H2,1H3,(H,26,28)(H,27,30) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| 830 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of Thrombin |
Bioorg Med Chem Lett 13: 795-8 (2003)
BindingDB Entry DOI: 10.7270/Q29C6WSJ |
More data for this
Ligand-Target Pair | |
Serine protease 1
(Homo sapiens (Human)) | BDBM50067797
(CHEMBL19080 | L-37378 | N-(6-Amino-2-methyl-pyridi...)Show SMILES Cc1nc(N)ccc1CNC(=O)Cn1c(C)cnc(NCCc2ccccc2)c1=O Show InChI InChI=1S/C22H26N6O2/c1-15-12-26-21(24-11-10-17-6-4-3-5-7-17)22(30)28(15)14-20(29)25-13-18-8-9-19(23)27-16(18)2/h3-9,12H,10-11,13-14H2,1-2H3,(H2,23,27)(H,24,26)(H,25,29) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 1.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of Trypsin |
Bioorg Med Chem Lett 13: 795-8 (2003)
BindingDB Entry DOI: 10.7270/Q29C6WSJ |
More data for this
Ligand-Target Pair | |
Serine protease 1
(Homo sapiens (Human)) | BDBM50124087
(CHEMBL101563 | N-(1H-Benzoimidazol-5-ylmethyl)-2-(...)Show SMILES Cc1cnc(NCCc2ccccc2)c(=O)n1CC(=O)NCc1ccc2nc[nH]c2c1 Show InChI InChI=1S/C23H24N6O2/c1-16-12-26-22(24-10-9-17-5-3-2-4-6-17)23(31)29(16)14-21(30)25-13-18-7-8-19-20(11-18)28-15-27-19/h2-8,11-12,15H,9-10,13-14H2,1H3,(H,24,26)(H,25,30)(H,27,28) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of Trypsin |
Bioorg Med Chem Lett 13: 795-8 (2003)
BindingDB Entry DOI: 10.7270/Q29C6WSJ |
More data for this
Ligand-Target Pair | |
Serine protease 1
(Homo sapiens (Human)) | BDBM50124088
(CHEMBL353213 | N-(5-Methyl-imidazo[1,2-a]pyridin-6...)Show SMILES Cc1cnc(NCCc2ccccc2)c(=O)n1CC(=O)NCc1ccc2nccn2c1C Show InChI InChI=1S/C24H26N6O2/c1-17-14-28-23(26-11-10-19-6-4-3-5-7-19)24(32)30(17)16-22(31)27-15-20-8-9-21-25-12-13-29(21)18(20)2/h3-9,12-14H,10-11,15-16H2,1-2H3,(H,26,28)(H,27,31) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| 6.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of Trypsin |
Bioorg Med Chem Lett 13: 795-8 (2003)
BindingDB Entry DOI: 10.7270/Q29C6WSJ |
More data for this
Ligand-Target Pair | |
Serine protease 1
(Homo sapiens (Human)) | BDBM50124095
(2-(6-Methyl-2-oxo-3-phenethylamino-2H-pyrazin-1-yl...)Show SMILES Cc1cnc(NCCc2ccccc2)c(=O)n1CC(=O)NCc1cnc2[nH]ccc2c1 Show InChI InChI=1S/C23H24N6O2/c1-16-12-27-22(25-9-7-17-5-3-2-4-6-17)23(31)29(16)15-20(30)26-13-18-11-19-8-10-24-21(19)28-14-18/h2-6,8,10-12,14H,7,9,13,15H2,1H3,(H,24,28)(H,25,27)(H,26,30) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of Trypsin |
Bioorg Med Chem Lett 13: 795-8 (2003)
BindingDB Entry DOI: 10.7270/Q29C6WSJ |
More data for this
Ligand-Target Pair | |
Serine protease 1
(Homo sapiens (Human)) | BDBM50124089
(2-(6-Methyl-2-oxo-3-phenethylamino-2H-pyrazin-1-yl...)Show SMILES Cc1cnc(NCCc2ccccc2)c(=O)n1CC(=O)NCc1ccc2[nH]ccc2n1 Show InChI InChI=1S/C23H24N6O2/c1-16-13-27-22(25-11-9-17-5-3-2-4-6-17)23(31)29(16)15-21(30)26-14-18-7-8-19-20(28-18)10-12-24-19/h2-8,10,12-13,24H,9,11,14-15H2,1H3,(H,25,27)(H,26,30) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of Trypsin |
Bioorg Med Chem Lett 13: 795-8 (2003)
BindingDB Entry DOI: 10.7270/Q29C6WSJ |
More data for this
Ligand-Target Pair | |
Serine protease 1
(Homo sapiens (Human)) | BDBM50124094
(CHEMBL166530 | N-(1H-Indol-6-ylmethyl)-2-(6-methyl...)Show SMILES Cc1cnc(NCCc2ccccc2)c(=O)n1CC(=O)NCc1ccc2cc[nH]c2c1 Show InChI InChI=1S/C24H25N5O2/c1-17-14-28-23(26-11-9-18-5-3-2-4-6-18)24(31)29(17)16-22(30)27-15-19-7-8-20-10-12-25-21(20)13-19/h2-8,10,12-14,25H,9,11,15-16H2,1H3,(H,26,28)(H,27,30) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of Trypsin |
Bioorg Med Chem Lett 13: 795-8 (2003)
BindingDB Entry DOI: 10.7270/Q29C6WSJ |
More data for this
Ligand-Target Pair | |
Serine protease 1
(Homo sapiens (Human)) | BDBM50124097
(CHEMBL422387 | N-(1H-Indol-5-ylmethyl)-2-(6-methyl...)Show SMILES Cc1cnc(NCCc2ccccc2)c(=O)n1CC(=O)NCc1ccc2[nH]ccc2c1 Show InChI InChI=1S/C24H25N5O2/c1-17-14-28-23(26-11-9-18-5-3-2-4-6-18)24(31)29(17)16-22(30)27-15-19-7-8-21-20(13-19)10-12-25-21/h2-8,10,12-14,25H,9,11,15-16H2,1H3,(H,26,28)(H,27,30) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of Trypsin |
Bioorg Med Chem Lett 13: 795-8 (2003)
BindingDB Entry DOI: 10.7270/Q29C6WSJ |
More data for this
Ligand-Target Pair | |
Serine protease 1
(Homo sapiens (Human)) | BDBM50124092
(2-(6-Methyl-2-oxo-3-phenethylamino-2H-pyrazin-1-yl...)Show SMILES Cc1cnc(NCCc2ccccc2)c(=O)n1CC(=O)NCc1cc2cc[nH]c2cn1 Show InChI InChI=1S/C23H24N6O2/c1-16-12-28-22(25-9-7-17-5-3-2-4-6-17)23(31)29(16)15-21(30)27-13-19-11-18-8-10-24-20(18)14-26-19/h2-6,8,10-12,14,24H,7,9,13,15H2,1H3,(H,25,28)(H,27,30) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of Trypsin |
Bioorg Med Chem Lett 13: 795-8 (2003)
BindingDB Entry DOI: 10.7270/Q29C6WSJ |
More data for this
Ligand-Target Pair | |
Serine protease 1
(Homo sapiens (Human)) | BDBM50124098
(CHEMBL167550 | N-Imidazo[1,2-a]pyridin-6-ylmethyl-...)Show SMILES Cc1cnc(NCCc2ccccc2)c(=O)n1CC(=O)NCc1ccc2nccn2c1 Show InChI InChI=1S/C23H24N6O2/c1-17-13-27-22(25-10-9-18-5-3-2-4-6-18)23(31)29(17)16-21(30)26-14-19-7-8-20-24-11-12-28(20)15-19/h2-8,11-13,15H,9-10,14,16H2,1H3,(H,25,27)(H,26,30) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| 1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of Trypsin |
Bioorg Med Chem Lett 13: 795-8 (2003)
BindingDB Entry DOI: 10.7270/Q29C6WSJ |
More data for this
Ligand-Target Pair | |
Serine protease 1
(Homo sapiens (Human)) | BDBM50124096
(CHEMBL166602 | N-Imidazo[1,2-a]pyridin-7-ylmethyl-...)Show SMILES Cc1cnc(NCCc2ccccc2)c(=O)n1CC(=O)NCc1ccn2ccnc2c1 Show InChI InChI=1S/C23H24N6O2/c1-17-14-27-22(25-9-7-18-5-3-2-4-6-18)23(31)29(17)16-21(30)26-15-19-8-11-28-12-10-24-20(28)13-19/h2-6,8,10-14H,7,9,15-16H2,1H3,(H,25,27)(H,26,30) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| 1.20E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of Trypsin |
Bioorg Med Chem Lett 13: 795-8 (2003)
BindingDB Entry DOI: 10.7270/Q29C6WSJ |
More data for this
Ligand-Target Pair | |
Serine protease 1
(Homo sapiens (Human)) | BDBM50124090
(2-[6-Methyl-2-oxo-3-(2-pyridin-2-yl-ethylamino)-2H...)Show SMILES Cc1cnc(NCCc2ccccn2)c(=O)n1CC(=O)NCc1cnc2[nH]ccc2c1 Show InChI InChI=1S/C22H23N7O2/c1-15-11-27-21(25-9-6-18-4-2-3-7-23-18)22(31)29(15)14-19(30)26-12-16-10-17-5-8-24-20(17)28-13-16/h2-5,7-8,10-11,13H,6,9,12,14H2,1H3,(H,24,28)(H,25,27)(H,26,30) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| 1.40E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of Trypsin |
Bioorg Med Chem Lett 13: 795-8 (2003)
BindingDB Entry DOI: 10.7270/Q29C6WSJ |
More data for this
Ligand-Target Pair | |
Serine protease 1
(Homo sapiens (Human)) | BDBM50124086
(2-[6-Methyl-2-oxo-3-(2-pyridin-2-yl-ethylamino)-2H...)Show SMILES Cc1cnc(NCCc2ccccn2)c(=O)n1CC(=O)NCc1cc2cc[nH]c2cn1 Show InChI InChI=1S/C22H23N7O2/c1-15-11-28-21(25-9-6-17-4-2-3-7-23-17)22(31)29(15)14-20(30)27-12-18-10-16-5-8-24-19(16)13-26-18/h2-5,7-8,10-11,13,24H,6,9,12,14H2,1H3,(H,25,28)(H,27,30) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| 2.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of Trypsin |
Bioorg Med Chem Lett 13: 795-8 (2003)
BindingDB Entry DOI: 10.7270/Q29C6WSJ |
More data for this
Ligand-Target Pair | |
Serine protease 1
(Homo sapiens (Human)) | BDBM50124093
(CHEMBL355730 | N-(1H-Indol-5-ylmethyl)-2-[6-methyl...)Show SMILES Cc1cnc(NCCc2ccccn2)c(=O)n1CC(=O)NCc1ccc2[nH]ccc2c1 Show InChI InChI=1S/C23H24N6O2/c1-16-13-28-22(26-11-8-19-4-2-3-9-24-19)23(31)29(16)15-21(30)27-14-17-5-6-20-18(12-17)7-10-25-20/h2-7,9-10,12-13,25H,8,11,14-15H2,1H3,(H,26,28)(H,27,30) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| 2.90E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of Trypsin |
Bioorg Med Chem Lett 13: 795-8 (2003)
BindingDB Entry DOI: 10.7270/Q29C6WSJ |
More data for this
Ligand-Target Pair | |
Serine protease 1
(Homo sapiens (Human)) | BDBM50124091
(2-[6-Methyl-2-oxo-3-(2-pyridin-2-yl-ethylamino)-2H...)Show SMILES Cc1cnc(NCCc2ccccn2)c(=O)n1CC(=O)NCc1ccc2[nH]ccc2n1 Show InChI InChI=1S/C22H23N7O2/c1-15-12-27-21(25-10-7-16-4-2-3-9-23-16)22(31)29(15)14-20(30)26-13-17-5-6-18-19(28-17)8-11-24-18/h2-6,8-9,11-12,24H,7,10,13-14H2,1H3,(H,25,27)(H,26,30) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| >1.00E+6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of Trypsin |
Bioorg Med Chem Lett 13: 795-8 (2003)
BindingDB Entry DOI: 10.7270/Q29C6WSJ |
More data for this
Ligand-Target Pair | |
Search and Browse
