Found 160 hits with Last Name = 'nijsen' and Initial = 'm' Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kJ/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
Calpain-1 catalytic subunit
(Homo sapiens (Human)) | BDBM50258312
(CHEMBL4095528)Show SMILES NC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1cccnc1-n1ccc(n1)-c1ccccc1 Show InChI InChI=1S/C25H21N5O3/c26-23(32)22(31)21(16-17-8-3-1-4-9-17)28-25(33)19-12-7-14-27-24(19)30-15-13-20(29-30)18-10-5-2-6-11-18/h1-15,21H,16H2,(H2,26,32)(H,28,33) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 18 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AbbVie Deutschland GmbH & Co. KG
Curated by ChEMBL
| Assay Description
Inhibition of human erythrocyte calpain 1 using Suc-Leu-Tyr-AMC as substrate by fluorescence assay |
ACS Med Chem Lett 9: 221-226 (2018)
Article DOI: 10.1021/acsmedchemlett.7b00494
BindingDB Entry DOI: 10.7270/Q23J3GNH |
More data for this
Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Homo sapiens (Human)) | BDBM50522682
(CHEMBL4462518)Show SMILES NC(=O)C(=O)C(Cc1ccccc1)NC(=O)[C@H]1CCC(=O)N1Cc1cccc(c1)C(F)(F)F |r| Show InChI InChI=1S/C23H22F3N3O4/c24-23(25,26)16-8-4-7-15(11-16)13-29-18(9-10-19(29)30)22(33)28-17(20(31)21(27)32)12-14-5-2-1-3-6-14/h1-8,11,17-18H,9-10,12-13H2,(H2,27,32)(H,28,33)/t17?,18-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 26 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AbbVie Deutschland GmbH & Co. KG
Curated by ChEMBL
| Assay Description
Inhibition of Cal1 (unknown origin) |
Bioorg Med Chem Lett 29: 1968-1973 (2019)
Article DOI: 10.1016/j.bmcl.2019.05.034
BindingDB Entry DOI: 10.7270/Q2ZP49H5 |
More data for this
Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Homo sapiens (Human)) | BDBM50258383
(CHEMBL4063636)Show SMILES NC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1cccnc1-n1ccc(n1)-c1ccc(F)cc1 Show InChI InChI=1S/C25H20FN5O3/c26-18-10-8-17(9-11-18)20-12-14-31(30-20)24-19(7-4-13-28-24)25(34)29-21(22(32)23(27)33)15-16-5-2-1-3-6-16/h1-14,21H,15H2,(H2,27,33)(H,29,34) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MMDB
PC cid
PC sid
UniChem
| Article
PubMed
| 34 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AbbVie Deutschland GmbH & Co. KG
Curated by ChEMBL
| Assay Description
Inhibition of Cal1 (unknown origin) |
Bioorg Med Chem Lett 29: 1968-1973 (2019)
Article DOI: 10.1016/j.bmcl.2019.05.034
BindingDB Entry DOI: 10.7270/Q2ZP49H5 |
More data for this
Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Homo sapiens (Human)) | BDBM50258383
(CHEMBL4063636)Show SMILES NC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1cccnc1-n1ccc(n1)-c1ccc(F)cc1 Show InChI InChI=1S/C25H20FN5O3/c26-18-10-8-17(9-11-18)20-12-14-31(30-20)24-19(7-4-13-28-24)25(34)29-21(22(32)23(27)33)15-16-5-2-1-3-6-16/h1-14,21H,15H2,(H2,27,33)(H,29,34) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MMDB
PC cid
PC sid
UniChem
| Article
PubMed
| 34 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AbbVie Deutschland GmbH & Co. KG
Curated by ChEMBL
| Assay Description
Inhibition of human erythrocyte calpain 1 using Suc-Leu-Tyr-AMC as substrate by fluorescence assay |
ACS Med Chem Lett 9: 221-226 (2018)
Article DOI: 10.1021/acsmedchemlett.7b00494
BindingDB Entry DOI: 10.7270/Q23J3GNH |
More data for this
Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Homo sapiens (Human)) | BDBM50522665
(CHEMBL4456320)Show SMILES COc1cccc(c1CN1[C@H](CCC1=O)C(=O)NC(Cc1ccccc1)C(=O)C(N)=O)C(F)(F)F |r| Show InChI InChI=1S/C24H24F3N3O5/c1-35-19-9-5-8-16(24(25,26)27)15(19)13-30-18(10-11-20(30)31)23(34)29-17(21(32)22(28)33)12-14-6-3-2-4-7-14/h2-9,17-18H,10-13H2,1H3,(H2,28,33)(H,29,34)/t17?,18-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 36 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AbbVie Deutschland GmbH & Co. KG
Curated by ChEMBL
| Assay Description
Inhibition of Cal1 (unknown origin) |
Bioorg Med Chem Lett 29: 1968-1973 (2019)
Article DOI: 10.1016/j.bmcl.2019.05.034
BindingDB Entry DOI: 10.7270/Q2ZP49H5 |
More data for this
Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Homo sapiens (Human)) | BDBM50522658
(CHEMBL4591200)Show SMILES NC(=O)C(=O)C(Cc1ccccc1)NC(=O)[C@H]1CCC(=O)N1Cc1ccccc1 |r| Show InChI InChI=1S/C22H23N3O4/c23-21(28)20(27)17(13-15-7-3-1-4-8-15)24-22(29)18-11-12-19(26)25(18)14-16-9-5-2-6-10-16/h1-10,17-18H,11-14H2,(H2,23,28)(H,24,29)/t17?,18-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 39 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AbbVie Deutschland GmbH & Co. KG
Curated by ChEMBL
| Assay Description
Inhibition of Cal1 (unknown origin) |
Bioorg Med Chem Lett 29: 1968-1973 (2019)
Article DOI: 10.1016/j.bmcl.2019.05.034
BindingDB Entry DOI: 10.7270/Q2ZP49H5 |
More data for this
Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Homo sapiens (Human)) | BDBM50522683
(CHEMBL4456885)Show SMILES CCCCC(NC(=O)[C@H]1CCC(=O)N1Cc1ccccc1)C(=O)C(N)=O |r| Show InChI InChI=1S/C19H25N3O4/c1-2-3-9-14(17(24)18(20)25)21-19(26)15-10-11-16(23)22(15)12-13-7-5-4-6-8-13/h4-8,14-15H,2-3,9-12H2,1H3,(H2,20,25)(H,21,26)/t14?,15-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 46 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AbbVie Deutschland GmbH & Co. KG
Curated by ChEMBL
| Assay Description
Inhibition of Cal1 (unknown origin) |
Bioorg Med Chem Lett 29: 1968-1973 (2019)
Article DOI: 10.1016/j.bmcl.2019.05.034
BindingDB Entry DOI: 10.7270/Q2ZP49H5 |
More data for this
Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Homo sapiens (Human)) | BDBM50522668
(CHEMBL4454219)Show SMILES Fc1ccc(CNC(=O)C(=O)C(Cc2ccccc2)NC(=O)[C@H]2CCC(=O)N2Cc2ccccc2)cc1 |r| Show InChI InChI=1S/C29H28FN3O4/c30-23-13-11-21(12-14-23)18-31-29(37)27(35)24(17-20-7-3-1-4-8-20)32-28(36)25-15-16-26(34)33(25)19-22-9-5-2-6-10-22/h1-14,24-25H,15-19H2,(H,31,37)(H,32,36)/t24?,25-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 48 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AbbVie Deutschland GmbH & Co. KG
Curated by ChEMBL
| Assay Description
Inhibition of Cal1 (unknown origin) |
Bioorg Med Chem Lett 29: 1968-1973 (2019)
Article DOI: 10.1016/j.bmcl.2019.05.034
BindingDB Entry DOI: 10.7270/Q2ZP49H5 |
More data for this
Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Homo sapiens (Human)) | BDBM50522680
(CHEMBL4541818)Show SMILES FC(F)(F)Oc1ccccc1CN1[C@H](CCC1=O)C(=O)NC(Cc1ccccc1)C(=O)C(=O)NC1CC1 |r| Show InChI InChI=1S/C26H26F3N3O5/c27-26(28,29)37-21-9-5-4-8-17(21)15-32-20(12-13-22(32)33)24(35)31-19(14-16-6-2-1-3-7-16)23(34)25(36)30-18-10-11-18/h1-9,18-20H,10-15H2,(H,30,36)(H,31,35)/t19?,20-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 50 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AbbVie Deutschland GmbH & Co. KG
Curated by ChEMBL
| Assay Description
Inhibition of Cal1 (unknown origin) |
Bioorg Med Chem Lett 29: 1968-1973 (2019)
Article DOI: 10.1016/j.bmcl.2019.05.034
BindingDB Entry DOI: 10.7270/Q2ZP49H5 |
More data for this
Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Homo sapiens (Human)) | BDBM50522654
(CHEMBL4546164)Show SMILES C[C@H]1C[C@@H](N(Cc2ccccc2)C1=O)C(=O)NC(Cc1ccccc1)C(=O)C(N)=O |r| Show InChI InChI=1S/C23H25N3O4/c1-15-12-19(26(23(15)30)14-17-10-6-3-7-11-17)22(29)25-18(20(27)21(24)28)13-16-8-4-2-5-9-16/h2-11,15,18-19H,12-14H2,1H3,(H2,24,28)(H,25,29)/t15-,18?,19+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 50 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AbbVie Deutschland GmbH & Co. KG
Curated by ChEMBL
| Assay Description
Inhibition of Cal1 (unknown origin) |
Bioorg Med Chem Lett 29: 1968-1973 (2019)
Article DOI: 10.1016/j.bmcl.2019.05.034
BindingDB Entry DOI: 10.7270/Q2ZP49H5 |
More data for this
Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Homo sapiens (Human)) | BDBM50522655
(CHEMBL4518359)Show SMILES NC(=O)C(=O)C(Cc1ccccc1)NC(=O)[C@H]1CCC(=O)N1Cc1ccccc1OC(F)(F)F |r| Show InChI InChI=1S/C23H22F3N3O5/c24-23(25,26)34-18-9-5-4-8-15(18)13-29-17(10-11-19(29)30)22(33)28-16(20(31)21(27)32)12-14-6-2-1-3-7-14/h1-9,16-17H,10-13H2,(H2,27,32)(H,28,33)/t16?,17-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 57 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AbbVie Deutschland GmbH & Co. KG
Curated by ChEMBL
| Assay Description
Inhibition of Cal1 (unknown origin) |
Bioorg Med Chem Lett 29: 1968-1973 (2019)
Article DOI: 10.1016/j.bmcl.2019.05.034
BindingDB Entry DOI: 10.7270/Q2ZP49H5 |
More data for this
Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Homo sapiens (Human)) | BDBM50522664
(CHEMBL4440356)Show SMILES NC(=O)C(=O)C(Cc1ccccc1)NC(=O)[C@H]1CCC(=O)N1Cc1ccccc1C(F)(F)F |r| Show InChI InChI=1S/C23H22F3N3O4/c24-23(25,26)16-9-5-4-8-15(16)13-29-18(10-11-19(29)30)22(33)28-17(20(31)21(27)32)12-14-6-2-1-3-7-14/h1-9,17-18H,10-13H2,(H2,27,32)(H,28,33)/t17?,18-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 59 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AbbVie Deutschland GmbH & Co. KG
Curated by ChEMBL
| Assay Description
Inhibition of Cal1 (unknown origin) |
Bioorg Med Chem Lett 29: 1968-1973 (2019)
Article DOI: 10.1016/j.bmcl.2019.05.034
BindingDB Entry DOI: 10.7270/Q2ZP49H5 |
More data for this
Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Homo sapiens (Human)) | BDBM50522673
(CHEMBL4578614)Show SMILES NC(=O)C(=O)C(Cc1ccccc1)NC(=O)[C@H]1CCCC(=O)N1Cc1ccccc1 |r| Show InChI InChI=1S/C23H25N3O4/c24-22(29)21(28)18(14-16-8-3-1-4-9-16)25-23(30)19-12-7-13-20(27)26(19)15-17-10-5-2-6-11-17/h1-6,8-11,18-19H,7,12-15H2,(H2,24,29)(H,25,30)/t18?,19-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 64 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AbbVie Deutschland GmbH & Co. KG
Curated by ChEMBL
| Assay Description
Inhibition of Cal1 (unknown origin) |
Bioorg Med Chem Lett 29: 1968-1973 (2019)
Article DOI: 10.1016/j.bmcl.2019.05.034
BindingDB Entry DOI: 10.7270/Q2ZP49H5 |
More data for this
Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Homo sapiens (Human)) | BDBM50522679
(CHEMBL4590202)Show SMILES O=C(NC(Cc1ccccc1)C(=O)C(=O)Nc1ccccc1)[C@H]1CCC(=O)N1Cc1ccccc1 |r| Show InChI InChI=1S/C28H27N3O4/c32-25-17-16-24(31(25)19-21-12-6-2-7-13-21)27(34)30-23(18-20-10-4-1-5-11-20)26(33)28(35)29-22-14-8-3-9-15-22/h1-15,23-24H,16-19H2,(H,29,35)(H,30,34)/t23?,24-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AbbVie Deutschland GmbH & Co. KG
Curated by ChEMBL
| Assay Description
Inhibition of Cal1 (unknown origin) |
Bioorg Med Chem Lett 29: 1968-1973 (2019)
Article DOI: 10.1016/j.bmcl.2019.05.034
BindingDB Entry DOI: 10.7270/Q2ZP49H5 |
More data for this
Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Homo sapiens (Human)) | BDBM50522669
(CHEMBL4465930)Show SMILES Clc1ccccc1CN1[C@H](CCC1=O)C(=O)NC(Cc1ccccc1)C(=O)C(=O)NC1CC1 |r| Show InChI InChI=1S/C25H26ClN3O4/c26-19-9-5-4-8-17(19)15-29-21(12-13-22(29)30)24(32)28-20(14-16-6-2-1-3-7-16)23(31)25(33)27-18-10-11-18/h1-9,18,20-21H,10-15H2,(H,27,33)(H,28,32)/t20?,21-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 73 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AbbVie Deutschland GmbH & Co. KG
Curated by ChEMBL
| Assay Description
Inhibition of Cal1 (unknown origin) |
Bioorg Med Chem Lett 29: 1968-1973 (2019)
Article DOI: 10.1016/j.bmcl.2019.05.034
BindingDB Entry DOI: 10.7270/Q2ZP49H5 |
More data for this
Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Homo sapiens (Human)) | BDBM50465144
(CHEMBL4290071)Show SMILES CCCONC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1cccnc1-n1ccc(n1)-c1ccccc1 Show InChI InChI=1S/C28H27N5O4/c1-2-18-37-32-28(36)25(34)24(19-20-10-5-3-6-11-20)30-27(35)22-14-9-16-29-26(22)33-17-15-23(31-33)21-12-7-4-8-13-21/h3-17,24H,2,18-19H2,1H3,(H,30,35)(H,32,36) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 75 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AbbVie Deutschland GmbH & Co. KG
Curated by ChEMBL
| Assay Description
Inhibition of human erythrocyte calpain 1 using Suc-Leu-Tyr-AMC as substrate by fluorescence assay |
ACS Med Chem Lett 9: 221-226 (2018)
Article DOI: 10.1021/acsmedchemlett.7b00494
BindingDB Entry DOI: 10.7270/Q23J3GNH |
More data for this
Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Homo sapiens (Human)) | BDBM50522660
(CHEMBL4593652)Show SMILES NC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1cccc(=O)n1Cc1ccccc1 Show InChI InChI=1S/C23H21N3O4/c24-22(29)21(28)18(14-16-8-3-1-4-9-16)25-23(30)19-12-7-13-20(27)26(19)15-17-10-5-2-6-11-17/h1-13,18H,14-15H2,(H2,24,29)(H,25,30) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 82 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AbbVie Deutschland GmbH & Co. KG
Curated by ChEMBL
| Assay Description
Inhibition of Cal1 (unknown origin) |
Bioorg Med Chem Lett 29: 1968-1973 (2019)
Article DOI: 10.1016/j.bmcl.2019.05.034
BindingDB Entry DOI: 10.7270/Q2ZP49H5 |
More data for this
Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Homo sapiens (Human)) | BDBM50465130
(CHEMBL4285615)Show SMILES O=C(NOCC1CC1)C(=O)C(Cc1ccccc1)NC(=O)c1cccnc1-n1ccc(n1)-c1ccccc1 Show InChI InChI=1S/C29H27N5O4/c35-26(29(37)33-38-19-21-13-14-21)25(18-20-8-3-1-4-9-20)31-28(36)23-12-7-16-30-27(23)34-17-15-24(32-34)22-10-5-2-6-11-22/h1-12,15-17,21,25H,13-14,18-19H2,(H,31,36)(H,33,37) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AbbVie Deutschland GmbH & Co. KG
Curated by ChEMBL
| Assay Description
Inhibition of human erythrocyte calpain 1 using Suc-Leu-Tyr-AMC as substrate by fluorescence assay |
ACS Med Chem Lett 9: 221-226 (2018)
Article DOI: 10.1021/acsmedchemlett.7b00494
BindingDB Entry DOI: 10.7270/Q23J3GNH |
More data for this
Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Homo sapiens (Human)) | BDBM50522670
(CHEMBL4588337)Show SMILES FC(F)(F)c1ccccc1CN1[C@H](CCC1=O)C(=O)NC(Cc1ccccc1)C(=O)C(=O)NC1CC1 |r| Show InChI InChI=1S/C26H26F3N3O4/c27-26(28,29)19-9-5-4-8-17(19)15-32-21(12-13-22(32)33)24(35)31-20(14-16-6-2-1-3-7-16)23(34)25(36)30-18-10-11-18/h1-9,18,20-21H,10-15H2,(H,30,36)(H,31,35)/t20?,21-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AbbVie Deutschland GmbH & Co. KG
Curated by ChEMBL
| Assay Description
Inhibition of Cal1 (unknown origin) |
Bioorg Med Chem Lett 29: 1968-1973 (2019)
Article DOI: 10.1016/j.bmcl.2019.05.034
BindingDB Entry DOI: 10.7270/Q2ZP49H5 |
More data for this
Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Homo sapiens (Human)) | BDBM50522676
(CHEMBL4476684)Show SMILES CN1C[C@@H](N(Cc2ccccc2)C1=O)C(=O)NC(Cc1ccccc1)C(=O)C(N)=O |r| Show InChI InChI=1S/C22H24N4O4/c1-25-14-18(26(22(25)30)13-16-10-6-3-7-11-16)21(29)24-17(19(27)20(23)28)12-15-8-4-2-5-9-15/h2-11,17-18H,12-14H2,1H3,(H2,23,28)(H,24,29)/t17?,18-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 101 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AbbVie Deutschland GmbH & Co. KG
Curated by ChEMBL
| Assay Description
Inhibition of Cal1 (unknown origin) |
Bioorg Med Chem Lett 29: 1968-1973 (2019)
Article DOI: 10.1016/j.bmcl.2019.05.034
BindingDB Entry DOI: 10.7270/Q2ZP49H5 |
More data for this
Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Homo sapiens (Human)) | BDBM50465141
(CHEMBL4290469)Show SMILES O=C(NCc1ccccc1)C(=O)C(Cc1ccccc1)NC(=O)c1cccnc1-n1ccc(n1)-c1ccccc1 Show InChI InChI=1S/C32H27N5O3/c38-29(32(40)34-22-24-13-6-2-7-14-24)28(21-23-11-4-1-5-12-23)35-31(39)26-17-10-19-33-30(26)37-20-18-27(36-37)25-15-8-3-9-16-25/h1-20,28H,21-22H2,(H,34,40)(H,35,39) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 110 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AbbVie Deutschland GmbH & Co. KG
Curated by ChEMBL
| Assay Description
Inhibition of human erythrocyte calpain 1 using Suc-Leu-Tyr-AMC as substrate by fluorescence assay |
ACS Med Chem Lett 9: 221-226 (2018)
Article DOI: 10.1021/acsmedchemlett.7b00494
BindingDB Entry DOI: 10.7270/Q23J3GNH |
More data for this
Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Homo sapiens (Human)) | BDBM50522684
(CHEMBL4441800)Show SMILES O=C(NC(Cc1ccccc1)C(=O)C(=O)NC1CCC1)[C@H]1CCC(=O)N1Cc1ccccc1 |r| Show InChI InChI=1S/C26H29N3O4/c30-23-15-14-22(29(23)17-19-10-5-2-6-11-19)25(32)28-21(16-18-8-3-1-4-9-18)24(31)26(33)27-20-12-7-13-20/h1-6,8-11,20-22H,7,12-17H2,(H,27,33)(H,28,32)/t21?,22-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 110 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AbbVie Deutschland GmbH & Co. KG
Curated by ChEMBL
| Assay Description
Inhibition of Cal1 (unknown origin) |
Bioorg Med Chem Lett 29: 1968-1973 (2019)
Article DOI: 10.1016/j.bmcl.2019.05.034
BindingDB Entry DOI: 10.7270/Q2ZP49H5 |
More data for this
Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Homo sapiens (Human)) | BDBM50465131
(CHEMBL4278724)Show SMILES CCONC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1cccnc1-n1ccc(n1)-c1ccccc1 Show InChI InChI=1S/C27H25N5O4/c1-2-36-31-27(35)24(33)23(18-19-10-5-3-6-11-19)29-26(34)21-14-9-16-28-25(21)32-17-15-22(30-32)20-12-7-4-8-13-20/h3-17,23H,2,18H2,1H3,(H,29,34)(H,31,35) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 110 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AbbVie Deutschland GmbH & Co. KG
Curated by ChEMBL
| Assay Description
Inhibition of human erythrocyte calpain 1 using Suc-Leu-Tyr-AMC as substrate by fluorescence assay |
ACS Med Chem Lett 9: 221-226 (2018)
Article DOI: 10.1021/acsmedchemlett.7b00494
BindingDB Entry DOI: 10.7270/Q23J3GNH |
More data for this
Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Homo sapiens (Human)) | BDBM50465139
(CHEMBL4292263)Show SMILES O=C(NOC1CCCC1)C(=O)C(Cc1ccccc1)NC(=O)c1cccnc1-n1ccc(n1)-c1ccccc1 Show InChI InChI=1S/C30H29N5O4/c36-27(30(38)34-39-23-14-7-8-15-23)26(20-21-10-3-1-4-11-21)32-29(37)24-16-9-18-31-28(24)35-19-17-25(33-35)22-12-5-2-6-13-22/h1-6,9-13,16-19,23,26H,7-8,14-15,20H2,(H,32,37)(H,34,38) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 120 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AbbVie Deutschland GmbH & Co. KG
Curated by ChEMBL
| Assay Description
Inhibition of human erythrocyte calpain 1 using Suc-Leu-Tyr-AMC as substrate by fluorescence assay |
ACS Med Chem Lett 9: 221-226 (2018)
Article DOI: 10.1021/acsmedchemlett.7b00494
BindingDB Entry DOI: 10.7270/Q23J3GNH |
More data for this
Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Homo sapiens (Human)) | BDBM50465125
(CHEMBL4286633)Show SMILES CONC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1cccnc1-n1ccc(n1)-c1ccccc1 Show InChI InChI=1S/C26H23N5O4/c1-35-30-26(34)23(32)22(17-18-9-4-2-5-10-18)28-25(33)20-13-8-15-27-24(20)31-16-14-21(29-31)19-11-6-3-7-12-19/h2-16,22H,17H2,1H3,(H,28,33)(H,30,34) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 120 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AbbVie Deutschland GmbH & Co. KG
Curated by ChEMBL
| Assay Description
Inhibition of human erythrocyte calpain 1 using Suc-Leu-Tyr-AMC as substrate by fluorescence assay |
ACS Med Chem Lett 9: 221-226 (2018)
Article DOI: 10.1021/acsmedchemlett.7b00494
BindingDB Entry DOI: 10.7270/Q23J3GNH |
More data for this
Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Homo sapiens (Human)) | BDBM50522678
(CHEMBL4592411)Show SMILES NC(=O)C(=O)C(Cc1ccccc1)NC(=O)[C@H]1CCC(=O)N1Cc1cccc(OC(F)(F)F)c1 |r| Show InChI InChI=1S/C23H22F3N3O5/c24-23(25,26)34-16-8-4-7-15(11-16)13-29-18(9-10-19(29)30)22(33)28-17(20(31)21(27)32)12-14-5-2-1-3-6-14/h1-8,11,17-18H,9-10,12-13H2,(H2,27,32)(H,28,33)/t17?,18-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 125 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AbbVie Deutschland GmbH & Co. KG
Curated by ChEMBL
| Assay Description
Inhibition of Cal1 (unknown origin) |
Bioorg Med Chem Lett 29: 1968-1973 (2019)
Article DOI: 10.1016/j.bmcl.2019.05.034
BindingDB Entry DOI: 10.7270/Q2ZP49H5 |
More data for this
Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Homo sapiens (Human)) | BDBM50522657
(CHEMBL4584187)Show SMILES Cc1ccc(cc1)S(=O)(=O)N1CCC[C@@H]1C(=O)NC(Cc1ccccc1)C(=O)C(N)=O |r| Show InChI InChI=1S/C22H25N3O5S/c1-15-9-11-17(12-10-15)31(29,30)25-13-5-8-19(25)22(28)24-18(20(26)21(23)27)14-16-6-3-2-4-7-16/h2-4,6-7,9-12,18-19H,5,8,13-14H2,1H3,(H2,23,27)(H,24,28)/t18?,19-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 129 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AbbVie Deutschland GmbH & Co. KG
Curated by ChEMBL
| Assay Description
Inhibition of Cal1 (unknown origin) |
Bioorg Med Chem Lett 29: 1968-1973 (2019)
Article DOI: 10.1016/j.bmcl.2019.05.034
BindingDB Entry DOI: 10.7270/Q2ZP49H5 |
More data for this
Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Homo sapiens (Human)) | BDBM50522667
(CHEMBL4463517)Show SMILES O=C(NC(Cc1ccccc1)C(=O)C(=O)NC1CC1)[C@H]1CCC(=O)N1Cc1ccccc1 |r| Show InChI InChI=1S/C25H27N3O4/c29-22-14-13-21(28(22)16-18-9-5-2-6-10-18)24(31)27-20(15-17-7-3-1-4-8-17)23(30)25(32)26-19-11-12-19/h1-10,19-21H,11-16H2,(H,26,32)(H,27,31)/t20?,21-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| 130 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AbbVie Deutschland GmbH & Co. KG
Curated by ChEMBL
| Assay Description
Inhibition of Cal1 (unknown origin) |
Bioorg Med Chem Lett 29: 1968-1973 (2019)
Article DOI: 10.1016/j.bmcl.2019.05.034
BindingDB Entry DOI: 10.7270/Q2ZP49H5 |
More data for this
Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Homo sapiens (Human)) | BDBM50465129
(CHEMBL4284362)Show SMILES O=C(NOC1CCC1)C(=O)C(Cc1ccccc1)NC(=O)c1cccnc1-n1ccc(n1)-c1ccccc1 Show InChI InChI=1S/C29H27N5O4/c35-26(29(37)33-38-22-13-7-14-22)25(19-20-9-3-1-4-10-20)31-28(36)23-15-8-17-30-27(23)34-18-16-24(32-34)21-11-5-2-6-12-21/h1-6,8-12,15-18,22,25H,7,13-14,19H2,(H,31,36)(H,33,37) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 150 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AbbVie Deutschland GmbH & Co. KG
Curated by ChEMBL
| Assay Description
Inhibition of human erythrocyte calpain 1 using Suc-Leu-Tyr-AMC as substrate by fluorescence assay |
ACS Med Chem Lett 9: 221-226 (2018)
Article DOI: 10.1021/acsmedchemlett.7b00494
BindingDB Entry DOI: 10.7270/Q23J3GNH |
More data for this
Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Homo sapiens (Human)) | BDBM50522666
(CHEMBL4549162)Show SMILES CCNC(=O)C(=O)C(Cc1ccccc1)NC(=O)[C@H]1CCC(=O)N1Cc1ccccc1 |r| Show InChI InChI=1S/C24H27N3O4/c1-2-25-24(31)22(29)19(15-17-9-5-3-6-10-17)26-23(30)20-13-14-21(28)27(20)16-18-11-7-4-8-12-18/h3-12,19-20H,2,13-16H2,1H3,(H,25,31)(H,26,30)/t19?,20-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 165 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AbbVie Deutschland GmbH & Co. KG
Curated by ChEMBL
| Assay Description
Inhibition of Cal1 (unknown origin) |
Bioorg Med Chem Lett 29: 1968-1973 (2019)
Article DOI: 10.1016/j.bmcl.2019.05.034
BindingDB Entry DOI: 10.7270/Q2ZP49H5 |
More data for this
Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Homo sapiens (Human)) | BDBM50522677
(CHEMBL4578998)Show SMILES NC(=O)C(=O)C(Cc1ccccc1)NC(=O)[C@H]1CCC(=O)N1Cc1ccncc1 |r| Show InChI InChI=1S/C21H22N4O4/c22-20(28)19(27)16(12-14-4-2-1-3-5-14)24-21(29)17-6-7-18(26)25(17)13-15-8-10-23-11-9-15/h1-5,8-11,16-17H,6-7,12-13H2,(H2,22,28)(H,24,29)/t16?,17-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 180 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AbbVie Deutschland GmbH & Co. KG
Curated by ChEMBL
| Assay Description
Inhibition of Cal1 (unknown origin) |
Bioorg Med Chem Lett 29: 1968-1973 (2019)
Article DOI: 10.1016/j.bmcl.2019.05.034
BindingDB Entry DOI: 10.7270/Q2ZP49H5 |
More data for this
Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Homo sapiens (Human)) | BDBM50465122
(CHEMBL4293456)Show SMILES C=CCONC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1cccnc1-n1ccc(n1)-c1ccccc1 Show InChI InChI=1S/C28H25N5O4/c1-2-18-37-32-28(36)25(34)24(19-20-10-5-3-6-11-20)30-27(35)22-14-9-16-29-26(22)33-17-15-23(31-33)21-12-7-4-8-13-21/h2-17,24H,1,18-19H2,(H,30,35)(H,32,36) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 185 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AbbVie Deutschland GmbH & Co. KG
Curated by ChEMBL
| Assay Description
Inhibition of human erythrocyte calpain 1 using Suc-Leu-Tyr-AMC as substrate by fluorescence assay |
ACS Med Chem Lett 9: 221-226 (2018)
Article DOI: 10.1021/acsmedchemlett.7b00494
BindingDB Entry DOI: 10.7270/Q23J3GNH |
More data for this
Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Homo sapiens (Human)) | BDBM50522663
(CHEMBL4436696)Show SMILES NC(=O)C(=O)C(Cc1ccccc1)NC(=O)[C@H]1CCC(=O)N1CC1CCCCC1 |r| Show InChI InChI=1S/C22H29N3O4/c23-21(28)20(27)17(13-15-7-3-1-4-8-15)24-22(29)18-11-12-19(26)25(18)14-16-9-5-2-6-10-16/h1,3-4,7-8,16-18H,2,5-6,9-14H2,(H2,23,28)(H,24,29)/t17?,18-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AbbVie Deutschland GmbH & Co. KG
Curated by ChEMBL
| Assay Description
Inhibition of Cal1 (unknown origin) |
Bioorg Med Chem Lett 29: 1968-1973 (2019)
Article DOI: 10.1016/j.bmcl.2019.05.034
BindingDB Entry DOI: 10.7270/Q2ZP49H5 |
More data for this
Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Homo sapiens (Human)) | BDBM50465126
(CHEMBL4277000)Show SMILES O=C(NC1CC1)C(=O)C(Cc1ccccc1)NC(=O)c1cccnc1-n1ccc(n1)-c1ccccc1 Show InChI InChI=1S/C28H25N5O3/c34-25(28(36)30-21-13-14-21)24(18-19-8-3-1-4-9-19)31-27(35)22-12-7-16-29-26(22)33-17-15-23(32-33)20-10-5-2-6-11-20/h1-12,15-17,21,24H,13-14,18H2,(H,30,36)(H,31,35) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 205 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AbbVie Deutschland GmbH & Co. KG
Curated by ChEMBL
| Assay Description
Inhibition of human erythrocyte calpain 1 using Suc-Leu-Tyr-AMC as substrate by fluorescence assay |
ACS Med Chem Lett 9: 221-226 (2018)
Article DOI: 10.1021/acsmedchemlett.7b00494
BindingDB Entry DOI: 10.7270/Q23J3GNH |
More data for this
Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Homo sapiens (Human)) | BDBM50465132
(CHEMBL4293870)Show SMILES O=C(NCc1nc2ccccc2o1)C(=O)C(Cc1ccccc1)NC(=O)c1cccnc1-n1ccc(n1)-c1ccccc1 Show InChI InChI=1S/C33H26N6O4/c40-30(33(42)35-21-29-36-26-15-7-8-16-28(26)43-29)27(20-22-10-3-1-4-11-22)37-32(41)24-14-9-18-34-31(24)39-19-17-25(38-39)23-12-5-2-6-13-23/h1-19,27H,20-21H2,(H,35,42)(H,37,41) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 210 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AbbVie Deutschland GmbH & Co. KG
Curated by ChEMBL
| Assay Description
Inhibition of human erythrocyte calpain 1 using Suc-Leu-Tyr-AMC as substrate by fluorescence assay |
ACS Med Chem Lett 9: 221-226 (2018)
Article DOI: 10.1021/acsmedchemlett.7b00494
BindingDB Entry DOI: 10.7270/Q23J3GNH |
More data for this
Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Homo sapiens (Human)) | BDBM50465140
(CHEMBL4282193)Show SMILES CC(C)ONC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1cccnc1-n1ccc(n1)-c1ccccc1 Show InChI InChI=1S/C28H27N5O4/c1-19(2)37-32-28(36)25(34)24(18-20-10-5-3-6-11-20)30-27(35)22-14-9-16-29-26(22)33-17-15-23(31-33)21-12-7-4-8-13-21/h3-17,19,24H,18H2,1-2H3,(H,30,35)(H,32,36) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 220 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AbbVie Deutschland GmbH & Co. KG
Curated by ChEMBL
| Assay Description
Inhibition of human erythrocyte calpain 1 using Suc-Leu-Tyr-AMC as substrate by fluorescence assay |
ACS Med Chem Lett 9: 221-226 (2018)
Article DOI: 10.1021/acsmedchemlett.7b00494
BindingDB Entry DOI: 10.7270/Q23J3GNH |
More data for this
Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Homo sapiens (Human)) | BDBM50522671
(CHEMBL4448533)Show SMILES FC(F)(F)Oc1cccc(c1CN1[C@H](CCC1=O)C(=O)NC(Cc1ccccc1)C(=O)C(=O)NC1CC1)C(F)(F)F |r| Show InChI InChI=1S/C27H25F6N3O5/c28-26(29,30)18-7-4-8-21(41-27(31,32)33)17(18)14-36-20(11-12-22(36)37)24(39)35-19(13-15-5-2-1-3-6-15)23(38)25(40)34-16-9-10-16/h1-8,16,19-20H,9-14H2,(H,34,40)(H,35,39)/t19?,20-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 240 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AbbVie Deutschland GmbH & Co. KG
Curated by ChEMBL
| Assay Description
Inhibition of Cal1 (unknown origin) |
Bioorg Med Chem Lett 29: 1968-1973 (2019)
Article DOI: 10.1016/j.bmcl.2019.05.034
BindingDB Entry DOI: 10.7270/Q2ZP49H5 |
More data for this
Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Homo sapiens (Human)) | BDBM50465127
(CHEMBL4288855)Show SMILES O=C(NOCCN1CCOCC1)C(=O)C(Cc1ccccc1)NC(=O)c1cccnc1-n1ccc(n1)-c1ccccc1 Show InChI InChI=1S/C31H32N6O5/c38-28(31(40)35-42-21-18-36-16-19-41-20-17-36)27(22-23-8-3-1-4-9-23)33-30(39)25-12-7-14-32-29(25)37-15-13-26(34-37)24-10-5-2-6-11-24/h1-15,27H,16-22H2,(H,33,39)(H,35,40) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 265 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AbbVie Deutschland GmbH & Co. KG
Curated by ChEMBL
| Assay Description
Inhibition of human erythrocyte calpain 1 using Suc-Leu-Tyr-AMC as substrate by fluorescence assay |
ACS Med Chem Lett 9: 221-226 (2018)
Article DOI: 10.1021/acsmedchemlett.7b00494
BindingDB Entry DOI: 10.7270/Q23J3GNH |
More data for this
Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Homo sapiens (Human)) | BDBM50522675
(CHEMBL4469079)Show SMILES NC(=O)C(=O)C(Cc1ccccc1)NC(=O)C1CCS(=O)(=O)N1Cc1ccccc1 Show InChI InChI=1S/C21H23N3O5S/c22-20(26)19(25)17(13-15-7-3-1-4-8-15)23-21(27)18-11-12-30(28,29)24(18)14-16-9-5-2-6-10-16/h1-10,17-18H,11-14H2,(H2,22,26)(H,23,27) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 268 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AbbVie Deutschland GmbH & Co. KG
Curated by ChEMBL
| Assay Description
Inhibition of Cal1 (unknown origin) |
Bioorg Med Chem Lett 29: 1968-1973 (2019)
Article DOI: 10.1016/j.bmcl.2019.05.034
BindingDB Entry DOI: 10.7270/Q2ZP49H5 |
More data for this
Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Homo sapiens (Human)) | BDBM50465133
(CHEMBL4283277)Show SMILES O=C(NCCc1ccccc1)C(=O)C(Cc1ccccc1)NC(=O)c1cccnc1-n1ccc(n1)-c1ccccc1 Show InChI InChI=1S/C33H29N5O3/c39-30(33(41)35-21-18-24-11-4-1-5-12-24)29(23-25-13-6-2-7-14-25)36-32(40)27-17-10-20-34-31(27)38-22-19-28(37-38)26-15-8-3-9-16-26/h1-17,19-20,22,29H,18,21,23H2,(H,35,41)(H,36,40) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 330 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AbbVie Deutschland GmbH & Co. KG
Curated by ChEMBL
| Assay Description
Inhibition of human erythrocyte calpain 1 using Suc-Leu-Tyr-AMC as substrate by fluorescence assay |
ACS Med Chem Lett 9: 221-226 (2018)
Article DOI: 10.1021/acsmedchemlett.7b00494
BindingDB Entry DOI: 10.7270/Q23J3GNH |
More data for this
Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Homo sapiens (Human)) | BDBM50465124
(CHEMBL4293200)Show SMILES CNC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1cccnc1-n1ccc(n1)-c1ccccc1 Show InChI InChI=1S/C26H23N5O3/c1-27-26(34)23(32)22(17-18-9-4-2-5-10-18)29-25(33)20-13-8-15-28-24(20)31-16-14-21(30-31)19-11-6-3-7-12-19/h2-16,22H,17H2,1H3,(H,27,34)(H,29,33) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 380 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AbbVie Deutschland GmbH & Co. KG
Curated by ChEMBL
| Assay Description
Inhibition of human erythrocyte calpain 1 using Suc-Leu-Tyr-AMC as substrate by fluorescence assay |
ACS Med Chem Lett 9: 221-226 (2018)
Article DOI: 10.1021/acsmedchemlett.7b00494
BindingDB Entry DOI: 10.7270/Q23J3GNH |
More data for this
Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Homo sapiens (Human)) | BDBM50465137
(CHEMBL4292149)Show SMILES C=CCNC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1cccnc1-n1ccc(n1)-c1ccccc1 Show InChI InChI=1S/C28H25N5O3/c1-2-16-30-28(36)25(34)24(19-20-10-5-3-6-11-20)31-27(35)22-14-9-17-29-26(22)33-18-15-23(32-33)21-12-7-4-8-13-21/h2-15,17-18,24H,1,16,19H2,(H,30,36)(H,31,35) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 470 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AbbVie Deutschland GmbH & Co. KG
Curated by ChEMBL
| Assay Description
Inhibition of human erythrocyte calpain 1 using Suc-Leu-Tyr-AMC as substrate by fluorescence assay |
ACS Med Chem Lett 9: 221-226 (2018)
Article DOI: 10.1021/acsmedchemlett.7b00494
BindingDB Entry DOI: 10.7270/Q23J3GNH |
More data for this
Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Homo sapiens (Human)) | BDBM50465138
(CHEMBL4288728)Show SMILES CCCNC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1cccnc1-n1ccc(n1)-c1ccccc1 Show InChI InChI=1S/C28H27N5O3/c1-2-16-30-28(36)25(34)24(19-20-10-5-3-6-11-20)31-27(35)22-14-9-17-29-26(22)33-18-15-23(32-33)21-12-7-4-8-13-21/h3-15,17-18,24H,2,16,19H2,1H3,(H,30,36)(H,31,35) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 480 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AbbVie Deutschland GmbH & Co. KG
Curated by ChEMBL
| Assay Description
Inhibition of human erythrocyte calpain 1 using Suc-Leu-Tyr-AMC as substrate by fluorescence assay |
ACS Med Chem Lett 9: 221-226 (2018)
Article DOI: 10.1021/acsmedchemlett.7b00494
BindingDB Entry DOI: 10.7270/Q23J3GNH |
More data for this
Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Homo sapiens (Human)) | BDBM50465145
(CHEMBL4284950)Show SMILES O=C(NC1CCC1)C(=O)C(Cc1ccccc1)NC(=O)c1cccnc1-n1ccc(n1)-c1ccccc1 Show InChI InChI=1S/C29H27N5O3/c35-26(29(37)31-22-13-7-14-22)25(19-20-9-3-1-4-10-20)32-28(36)23-15-8-17-30-27(23)34-18-16-24(33-34)21-11-5-2-6-12-21/h1-6,8-12,15-18,22,25H,7,13-14,19H2,(H,31,37)(H,32,36) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 490 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AbbVie Deutschland GmbH & Co. KG
Curated by ChEMBL
| Assay Description
Inhibition of human erythrocyte calpain 1 using Suc-Leu-Tyr-AMC as substrate by fluorescence assay |
ACS Med Chem Lett 9: 221-226 (2018)
Article DOI: 10.1021/acsmedchemlett.7b00494
BindingDB Entry DOI: 10.7270/Q23J3GNH |
More data for this
Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Homo sapiens (Human)) | BDBM50522659
(CHEMBL4571978)Show SMILES NC(=O)C(=O)C(Cc1ccccc1)NC(=O)[C@@H]1CCC(=O)N1Cc1ccccc1 |r| Show InChI InChI=1S/C22H23N3O4/c23-21(28)20(27)17(13-15-7-3-1-4-8-15)24-22(29)18-11-12-19(26)25(18)14-16-9-5-2-6-10-16/h1-10,17-18H,11-14H2,(H2,23,28)(H,24,29)/t17?,18-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 528 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AbbVie Deutschland GmbH & Co. KG
Curated by ChEMBL
| Assay Description
Inhibition of Cal1 (unknown origin) |
Bioorg Med Chem Lett 29: 1968-1973 (2019)
Article DOI: 10.1016/j.bmcl.2019.05.034
BindingDB Entry DOI: 10.7270/Q2ZP49H5 |
More data for this
Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Homo sapiens (Human)) | BDBM50522681
(CHEMBL4452603)Show SMILES Cn1cc(CN2[C@H](CCC2=O)C(=O)NC(Cc2ccccc2)C(=O)C(=O)NC2CN2)cn1 |r| Show InChI InChI=1S/C22H26N6O4/c1-27-12-15(10-24-27)13-28-17(7-8-19(28)29)21(31)25-16(9-14-5-3-2-4-6-14)20(30)22(32)26-18-11-23-18/h2-6,10,12,16-18,23H,7-9,11,13H2,1H3,(H,25,31)(H,26,32)/t16?,17-,18?/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 530 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AbbVie Deutschland GmbH & Co. KG
Curated by ChEMBL
| Assay Description
Inhibition of Cal1 (unknown origin) |
Bioorg Med Chem Lett 29: 1968-1973 (2019)
Article DOI: 10.1016/j.bmcl.2019.05.034
BindingDB Entry DOI: 10.7270/Q2ZP49H5 |
More data for this
Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Homo sapiens (Human)) | BDBM50522672
(CHEMBL4535145)Show SMILES O=C(NC(Cc1ccccc1)C(=O)C(=O)NC1CC1)[C@H]1CCC(=O)N1C1Cc2ccccc2C1 |r| Show InChI InChI=1S/C27H29N3O4/c31-24-13-12-23(30(24)21-15-18-8-4-5-9-19(18)16-21)26(33)29-22(14-17-6-2-1-3-7-17)25(32)27(34)28-20-10-11-20/h1-9,20-23H,10-16H2,(H,28,34)(H,29,33)/t22?,23-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 545 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AbbVie Deutschland GmbH & Co. KG
Curated by ChEMBL
| Assay Description
Inhibition of Cal1 (unknown origin) |
Bioorg Med Chem Lett 29: 1968-1973 (2019)
Article DOI: 10.1016/j.bmcl.2019.05.034
BindingDB Entry DOI: 10.7270/Q2ZP49H5 |
More data for this
Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Homo sapiens (Human)) | BDBM50465135
(CHEMBL4279559)Show SMILES O=C(NCC1CC1)C(=O)C(Cc1ccccc1)NC(=O)c1cccnc1-n1ccc(n1)-c1ccccc1 Show InChI InChI=1S/C29H27N5O3/c35-26(29(37)31-19-21-13-14-21)25(18-20-8-3-1-4-9-20)32-28(36)23-12-7-16-30-27(23)34-17-15-24(33-34)22-10-5-2-6-11-22/h1-12,15-17,21,25H,13-14,18-19H2,(H,31,37)(H,32,36) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 550 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AbbVie Deutschland GmbH & Co. KG
Curated by ChEMBL
| Assay Description
Inhibition of human erythrocyte calpain 1 using Suc-Leu-Tyr-AMC as substrate by fluorescence assay |
ACS Med Chem Lett 9: 221-226 (2018)
Article DOI: 10.1021/acsmedchemlett.7b00494
BindingDB Entry DOI: 10.7270/Q23J3GNH |
More data for this
Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Homo sapiens (Human)) | BDBM50465143
(CHEMBL4285376)Show SMILES CCNC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1cccnc1-n1ccc(n1)-c1ccccc1 Show InChI InChI=1S/C27H25N5O3/c1-2-28-27(35)24(33)23(18-19-10-5-3-6-11-19)30-26(34)21-14-9-16-29-25(21)32-17-15-22(31-32)20-12-7-4-8-13-20/h3-17,23H,2,18H2,1H3,(H,28,35)(H,30,34) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 690 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AbbVie Deutschland GmbH & Co. KG
Curated by ChEMBL
| Assay Description
Inhibition of human erythrocyte calpain 1 using Suc-Leu-Tyr-AMC as substrate by fluorescence assay |
ACS Med Chem Lett 9: 221-226 (2018)
Article DOI: 10.1021/acsmedchemlett.7b00494
BindingDB Entry DOI: 10.7270/Q23J3GNH |
More data for this
Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Homo sapiens (Human)) | BDBM50465136
(CHEMBL4281522)Show SMILES O=C(NCC#N)C(=O)C(Cc1ccccc1)NC(=O)c1cccnc1-n1ccc(n1)-c1ccccc1 Show InChI InChI=1S/C27H22N6O3/c28-14-16-30-27(36)24(34)23(18-19-8-3-1-4-9-19)31-26(35)21-12-7-15-29-25(21)33-17-13-22(32-33)20-10-5-2-6-11-20/h1-13,15,17,23H,16,18H2,(H,30,36)(H,31,35) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 950 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AbbVie Deutschland GmbH & Co. KG
Curated by ChEMBL
| Assay Description
Inhibition of human erythrocyte calpain 1 using Suc-Leu-Tyr-AMC as substrate by fluorescence assay |
ACS Med Chem Lett 9: 221-226 (2018)
Article DOI: 10.1021/acsmedchemlett.7b00494
BindingDB Entry DOI: 10.7270/Q23J3GNH |
More data for this
Ligand-Target Pair | |
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