Found 369 hits with Last Name = 'mueller' and Initial = 'b' 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
![PNG](/data/jpeg/tenK5025/BindingDB_50258312.png) (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 ![](/images/AffyNet_logo.png)
| 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)) | BDBM50258383
![PNG](/data/jpeg/tenK5025/BindingDB_50258383.png) (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 ![](/images/AffyNet_logo.png)
| 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)) | BDBM50465144
![PNG](/data/jpeg/tenK5046/BindingDB_50465144.png) (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 ![](/images/AffyNet_logo.png)
| 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)) | BDBM50465130
![PNG](/data/jpeg/tenK5046/BindingDB_50465130.png) (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 ![](/images/AffyNet_logo.png)
| 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)) | BDBM50465131
![PNG](/data/jpeg/tenK5046/BindingDB_50465131.png) (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 ![](/images/AffyNet_logo.png)
| 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)) | BDBM50465141
![PNG](/data/jpeg/tenK5046/BindingDB_50465141.png) (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 ![](/images/AffyNet_logo.png)
| 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)) | BDBM50465125
![PNG](/data/jpeg/tenK5046/BindingDB_50465125.png) (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 ![](/images/AffyNet_logo.png)
| 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)) | BDBM50465139
![PNG](/data/jpeg/tenK5046/BindingDB_50465139.png) (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 ![](/images/AffyNet_logo.png)
| 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)) | BDBM50465129
![PNG](/data/jpeg/tenK5046/BindingDB_50465129.png) (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 ![](/images/AffyNet_logo.png)
| 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 | |
NPC1-like intracellular cholesterol transporter 1
(Rattus norvegicus) | BDBM50240720
![PNG](/data/jpeg/tenK5024/BindingDB_50240720.png) ((2S,3S,4S,5R,6S)-6-(4-((2S,3R)-1-(4-fluorophenyl)-...)Show SMILES O[C@@H](CC[C@@H]1[C@H](N(C1=O)c1ccc(F)cc1)c1ccc(O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)cc1)c1ccc(F)cc1 |r| Show InChI InChI=1S/C30H29F2NO9/c31-17-5-1-15(2-6-17)22(34)14-13-21-23(33(28(21)38)19-9-7-18(32)8-10-19)16-3-11-20(12-4-16)41-30-26(37)24(35)25(36)27(42-30)29(39)40/h1-12,21-27,30,34-37H,13-14H2,(H,39,40)/t21-,22+,23-,24+,25+,26-,27+,30-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| Purchase
CHEMBL MCE KEGG PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 180 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Displacement of [3H]ezetimibe-glucuronide from NPC1L1 in Sprague-Dawley rat brush border membrane |
Bioorg Med Chem Lett 18: 546-53 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.083 BindingDB Entry DOI: 10.7270/Q22F7P9P |
More data for this Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Homo sapiens (Human)) | BDBM50465122
![PNG](/data/jpeg/tenK5046/BindingDB_50465122.png) (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 ![](/images/AffyNet_logo.png)
| 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 | |
NPC1-like intracellular cholesterol transporter 1
(Rattus norvegicus) | BDBM50371521
![PNG](/data/jpeg/tenK5037/BindingDB_50371521.png) (EZETIMIBE)Show SMILES O[C@@H](CC[C@@H]1[C@H](N(C1=O)c1ccc(F)cc1)c1ccc(O)cc1)c1ccc(F)cc1 |r| Show InChI InChI=1S/C24H21F2NO3/c25-17-5-1-15(2-6-17)22(29)14-13-21-23(16-3-11-20(28)12-4-16)27(24(21)30)19-9-7-18(26)8-10-19/h1-12,21-23,28-29H,13-14H2/t21-,22+,23-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| Purchase
DrugBank MCE PC cid PC sid PDB UniChem
Similars
| Article PubMed
| 200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Displacement of [3H]ezetimibe-glucuronide from NPC1L1 in Sprague-Dawley rat brush border membrane |
Bioorg Med Chem Lett 18: 546-53 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.083 BindingDB Entry DOI: 10.7270/Q22F7P9P |
More data for this Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Homo sapiens (Human)) | BDBM50465126
![PNG](/data/jpeg/tenK5046/BindingDB_50465126.png) (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 ![](/images/AffyNet_logo.png)
| 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
![PNG](/data/jpeg/tenK5046/BindingDB_50465132.png) (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 ![](/images/AffyNet_logo.png)
| 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
![PNG](/data/jpeg/tenK5046/BindingDB_50465140.png) (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 ![](/images/AffyNet_logo.png)
| 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)) | BDBM50465127
![PNG](/data/jpeg/tenK5046/BindingDB_50465127.png) (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 ![](/images/AffyNet_logo.png)
| 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)) | BDBM50465133
![PNG](/data/jpeg/tenK5046/BindingDB_50465133.png) (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 ![](/images/AffyNet_logo.png)
| 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
![PNG](/data/jpeg/tenK5046/BindingDB_50465124.png) (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 ![](/images/AffyNet_logo.png)
| 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
![PNG](/data/jpeg/tenK5046/BindingDB_50465137.png) (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 ![](/images/AffyNet_logo.png)
| 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
![PNG](/data/jpeg/tenK5046/BindingDB_50465138.png) (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 ![](/images/AffyNet_logo.png)
| 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
![PNG](/data/jpeg/tenK5046/BindingDB_50465145.png) (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 ![](/images/AffyNet_logo.png)
| 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)) | BDBM50465135
![PNG](/data/jpeg/tenK5046/BindingDB_50465135.png) (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 ![](/images/AffyNet_logo.png)
| 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
![PNG](/data/jpeg/tenK5046/BindingDB_50465143.png) (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 ![](/images/AffyNet_logo.png)
| 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
![PNG](/data/jpeg/tenK5046/BindingDB_50465136.png) (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 ![](/images/AffyNet_logo.png)
| 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 | |
Calpain-1 catalytic subunit
(Homo sapiens (Human)) | BDBM50465128
![PNG](/data/jpeg/tenK5046/BindingDB_50465128.png) (CHEMBL4280951)Show SMILES CN(C)CCONC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1cccnc1-n1ccc(n1)-c1ccccc1 Show InChI InChI=1S/C29H30N6O4/c1-34(2)18-19-39-33-29(38)26(36)25(20-21-10-5-3-6-11-21)31-28(37)23-14-9-16-30-27(23)35-17-15-24(32-35)22-12-7-4-8-13-22/h3-17,25H,18-20H2,1-2H3,(H,31,37)(H,33,38) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid UniChem
| Article PubMed
| 1.06E+3 | 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)) | BDBM50465142
![PNG](/data/jpeg/tenK5046/BindingDB_50465142.png) (CHEMBL4290224)Show SMILES O=C(NC1CCCC1)C(=O)C(Cc1ccccc1)NC(=O)c1cccnc1-n1ccc(n1)-c1ccccc1 Show InChI InChI=1S/C30H29N5O3/c36-27(30(38)32-23-14-7-8-15-23)26(20-21-10-3-1-4-11-21)33-29(37)24-16-9-18-31-28(24)35-19-17-25(34-35)22-12-5-2-6-13-22/h1-6,9-13,16-19,23,26H,7-8,14-15,20H2,(H,32,38)(H,33,37) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid UniChem
| Article PubMed
| 1.35E+3 | 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 | |
NPC1-like intracellular cholesterol transporter 1
(Rattus norvegicus) | BDBM50371519
![PNG](/data/jpeg/tenK5037/BindingDB_50371519.png) (CHEMBL271655)Show SMILES COc1ccc([C@@H]2[C@H](OC(=O)N2c2cccc(F)c2)C(=O)N(C)Cc2ccc(F)cc2)c(O)c1 Show InChI InChI=1S/C25H22F2N2O5/c1-28(14-15-6-8-16(26)9-7-15)24(31)23-22(20-11-10-19(33-2)13-21(20)30)29(25(32)34-23)18-5-3-4-17(27)12-18/h3-13,22-23,30H,14H2,1-2H3/t22-,23+/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Displacement of [3H]ezetimibe-glucuronide from NPC1L1 in Sprague-Dawley rat brush border membrane |
Bioorg Med Chem Lett 18: 546-53 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.083 BindingDB Entry DOI: 10.7270/Q22F7P9P |
More data for this Ligand-Target Pair | |
NPC1-like intracellular cholesterol transporter 1
(Rattus norvegicus) | BDBM50371538
![PNG](/data/jpeg/tenK5037/BindingDB_50371538.png) (CHEMBL271634)Show SMILES COc1ccc([C@@H]2[C@H](OC(=O)N2c2cccc(F)c2)[C@H](O)CCc2ccccc2)c(O)c1 Show InChI InChI=1S/C25H24FNO5/c1-31-19-11-12-20(22(29)15-19)23-24(21(28)13-10-16-6-3-2-4-7-16)32-25(30)27(23)18-9-5-8-17(26)14-18/h2-9,11-12,14-15,21,23-24,28-29H,10,13H2,1H3/t21-,23-,24-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 2.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Displacement of [3H]ezetimibe-glucuronide from NPC1L1 in Sprague-Dawley rat brush border membrane |
Bioorg Med Chem Lett 18: 546-53 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.083 BindingDB Entry DOI: 10.7270/Q22F7P9P |
More data for this Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Homo sapiens (Human)) | BDBM50465123
![PNG](/data/jpeg/tenK5046/BindingDB_50465123.png) (CHEMBL4278068)Show SMILES CC(C)NC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1cccnc1-n1ccc(n1)-c1ccccc1 Show InChI InChI=1S/C28H27N5O3/c1-19(2)30-28(36)25(34)24(18-20-10-5-3-6-11-20)31-27(35)22-14-9-16-29-26(22)33-17-15-23(32-33)21-12-7-4-8-13-21/h3-17,19,24H,18H2,1-2H3,(H,30,36)(H,31,35) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid UniChem
| Article PubMed
| 2.60E+3 | 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 | |
NPC1-like intracellular cholesterol transporter 1
(Rattus norvegicus) | BDBM50371523
![PNG](/data/jpeg/tenK5037/BindingDB_50371523.png) (CHEMBL258358)Show SMILES COc1ccc([C@@H]2[C@H](OC(=O)N2c2cccc(F)c2)C(=O)N2CCc3ccccc3C2)c(O)c1 Show InChI InChI=1S/C26H23FN2O5/c1-33-20-9-10-21(22(30)14-20)23-24(34-26(32)29(23)19-8-4-7-18(27)13-19)25(31)28-12-11-16-5-2-3-6-17(16)15-28/h2-10,13-14,23-24,30H,11-12,15H2,1H3/t23-,24+/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 3.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Displacement of [3H]ezetimibe-glucuronide from NPC1L1 in Sprague-Dawley rat brush border membrane |
Bioorg Med Chem Lett 18: 546-53 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.083 BindingDB Entry DOI: 10.7270/Q22F7P9P |
More data for this Ligand-Target Pair | |
NPC1-like intracellular cholesterol transporter 1
(Rattus norvegicus) | BDBM50371520
![PNG](/data/jpeg/tenK5037/BindingDB_50371520.png) (CHEMBL257848)Show SMILES COc1ccc([C@@H]2[C@H](OC(=O)N2c2ccc(F)cc2)[C@H](O)CCc2ccccc2)c(O)c1 Show InChI InChI=1S/C25H24FNO5/c1-31-19-12-13-20(22(29)15-19)23-24(21(28)14-7-16-5-3-2-4-6-16)32-25(30)27(23)18-10-8-17(26)9-11-18/h2-6,8-13,15,21,23-24,28-29H,7,14H2,1H3/t21-,23-,24-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 4.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Displacement of [3H]ezetimibe-glucuronide from NPC1L1 in Sprague-Dawley rat brush border membrane |
Bioorg Med Chem Lett 18: 546-53 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.083 BindingDB Entry DOI: 10.7270/Q22F7P9P |
More data for this Ligand-Target Pair | |
Calpain-1 catalytic subunit
(Homo sapiens (Human)) | BDBM50465134
![PNG](/data/jpeg/tenK5046/BindingDB_50465134.png) (CHEMBL4279814)Show SMILES CC1(CC1)NC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1cccnc1-n1ccc(n1)-c1ccccc1 Show InChI InChI=1S/C29H27N5O3/c1-29(15-16-29)32-28(37)25(35)24(19-20-9-4-2-5-10-20)31-27(36)22-13-8-17-30-26(22)34-18-14-23(33-34)21-11-6-3-7-12-21/h2-14,17-18,24H,15-16,19H2,1H3,(H,31,36)(H,32,37) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid UniChem
| Article PubMed
| >5.00E+3 | 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 | |
NPC1-like intracellular cholesterol transporter 1
(Rattus norvegicus) | BDBM50371537
![PNG](/data/jpeg/tenK5037/BindingDB_50371537.png) (CHEMBL402421)Show SMILES COc1cccc([C@@H]2[C@H](OC(=O)N2c2cccc(F)c2)[C@H](O)CCc2ccccc2)c1O Show InChI InChI=1S/C25H24FNO5/c1-31-21-12-6-11-19(23(21)29)22-24(20(28)14-13-16-7-3-2-4-8-16)32-25(30)27(22)18-10-5-9-17(26)15-18/h2-12,15,20,22,24,28-29H,13-14H2,1H3/t20-,22-,24-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 5.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Displacement of [3H]ezetimibe-glucuronide from NPC1L1 in Sprague-Dawley rat brush border membrane |
Bioorg Med Chem Lett 18: 546-53 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.083 BindingDB Entry DOI: 10.7270/Q22F7P9P |
More data for this Ligand-Target Pair | |
NPC1-like intracellular cholesterol transporter 1
(Rattus norvegicus) | BDBM50371542
![PNG](/data/jpeg/tenK5037/BindingDB_50371542.png) (CHEMBL439420)Show SMILES COc1cccc(OC[C@@H](O)[C@H]2OC(=O)N([C@@H]2c2ccc(OC)cc2O)c2cccc(F)c2)c1 Show InChI InChI=1S/C25H24FNO7/c1-31-17-7-4-8-19(12-17)33-14-22(29)24-23(20-10-9-18(32-2)13-21(20)28)27(25(30)34-24)16-6-3-5-15(26)11-16/h3-13,22-24,28-29H,14H2,1-2H3/t22-,23-,24-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 8.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Displacement of [3H]ezetimibe-glucuronide from NPC1L1 in Sprague-Dawley rat brush border membrane |
Bioorg Med Chem Lett 18: 546-53 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.083 BindingDB Entry DOI: 10.7270/Q22F7P9P |
More data for this Ligand-Target Pair | |
NPC1-like intracellular cholesterol transporter 1
(Rattus norvegicus) | BDBM50371528
![PNG](/data/jpeg/tenK5037/BindingDB_50371528.png) (CHEMBL257850)Show SMILES O[C@H](CCc1ccccc1)[C@H]1OC(=O)N([C@@H]1c1ccc(O)cc1O)c1ccc(F)cc1 Show InChI InChI=1S/C24H22FNO5/c25-16-7-9-17(10-8-16)26-22(19-12-11-18(27)14-21(19)29)23(31-24(26)30)20(28)13-6-15-4-2-1-3-5-15/h1-5,7-12,14,20,22-23,27-29H,6,13H2/t20-,22-,23-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 9.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Displacement of [3H]ezetimibe-glucuronide from NPC1L1 in Sprague-Dawley rat brush border membrane |
Bioorg Med Chem Lett 18: 546-53 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.083 BindingDB Entry DOI: 10.7270/Q22F7P9P |
More data for this Ligand-Target Pair | |
NPC1-like intracellular cholesterol transporter 1
(Rattus norvegicus) | BDBM50371533
![PNG](/data/jpeg/tenK5037/BindingDB_50371533.png) (CHEMBL258061)Show SMILES O[C@@H](CC[C@H]1OC(=O)N([C@@H]1c1ccc(O)cc1)c1ccc(F)cc1)c1ccc(F)cc1 Show InChI InChI=1S/C24H21F2NO4/c25-17-5-1-15(2-6-17)21(29)13-14-22-23(16-3-11-20(28)12-4-16)27(24(30)31-22)19-9-7-18(26)8-10-19/h1-12,21-23,28-29H,13-14H2/t21-,22+,23+/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 9.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Displacement of [3H]ezetimibe-glucuronide from NPC1L1 in Sprague-Dawley rat brush border membrane |
Bioorg Med Chem Lett 18: 546-53 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.083 BindingDB Entry DOI: 10.7270/Q22F7P9P |
More data for this Ligand-Target Pair | |
NPC1-like intracellular cholesterol transporter 1
(Rattus norvegicus) | BDBM50371524
![PNG](/data/jpeg/tenK5037/BindingDB_50371524.png) (CHEMBL271635)Show SMILES O[C@H](CCc1ccccc1)[C@H]1OC(=O)N([C@@H]1c1ccc(O)cc1)c1cccc(F)c1 Show InChI InChI=1S/C24H22FNO4/c25-18-7-4-8-19(15-18)26-22(17-10-12-20(27)13-11-17)23(30-24(26)29)21(28)14-9-16-5-2-1-3-6-16/h1-8,10-13,15,21-23,27-28H,9,14H2/t21-,22-,23-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Displacement of [3H]ezetimibe-glucuronide from NPC1L1 in Sprague-Dawley rat brush border membrane |
Bioorg Med Chem Lett 18: 546-53 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.083 BindingDB Entry DOI: 10.7270/Q22F7P9P |
More data for this Ligand-Target Pair | |
NPC1-like intracellular cholesterol transporter 1
(Rattus norvegicus) | BDBM50371517
![PNG](/data/jpeg/tenK5037/BindingDB_50371517.png) (CHEMBL256248)Show SMILES COc1cccc(CN(C)C(=O)[C@H]2OC(=O)N([C@@H]2c2ccc(O)cc2)c2ccc(F)cc2)c1 Show InChI InChI=1S/C25H23FN2O5/c1-27(15-16-4-3-5-21(14-16)32-2)24(30)23-22(17-6-12-20(29)13-7-17)28(25(31)33-23)19-10-8-18(26)9-11-19/h3-14,22-23,29H,15H2,1-2H3/t22-,23+/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Displacement of [3H]ezetimibe-glucuronide from NPC1L1 in Sprague-Dawley rat brush border membrane |
Bioorg Med Chem Lett 18: 546-53 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.083 BindingDB Entry DOI: 10.7270/Q22F7P9P |
More data for this Ligand-Target Pair | |
NPC1-like intracellular cholesterol transporter 1
(Rattus norvegicus) | BDBM50371530
![PNG](/data/jpeg/tenK5037/BindingDB_50371530.png) (CHEMBL258143)Show SMILES O[C@H](CCc1ccccc1)[C@H]1OC(=O)N([C@@H]1c1ccccc1O)c1ccc(F)cc1 Show InChI InChI=1S/C24H22FNO4/c25-17-11-13-18(14-12-17)26-22(19-8-4-5-9-20(19)27)23(30-24(26)29)21(28)15-10-16-6-2-1-3-7-16/h1-9,11-14,21-23,27-28H,10,15H2/t21-,22-,23-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Displacement of [3H]ezetimibe-glucuronide from NPC1L1 in Sprague-Dawley rat brush border membrane |
Bioorg Med Chem Lett 18: 546-53 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.083 BindingDB Entry DOI: 10.7270/Q22F7P9P |
More data for this Ligand-Target Pair | |
NPC1-like intracellular cholesterol transporter 1
(Rattus norvegicus) | BDBM50371527
![PNG](/data/jpeg/tenK5037/BindingDB_50371527.png) (CHEMBL271865)Show SMILES CN(Cc1ccc(F)cc1)C(=O)[C@H]1OC(=O)N([C@@H]1c1ccc(O)cc1)c1ccc(F)cc1 Show InChI InChI=1S/C24H20F2N2O4/c1-27(14-15-2-6-17(25)7-3-15)23(30)22-21(16-4-12-20(29)13-5-16)28(24(31)32-22)19-10-8-18(26)9-11-19/h2-13,21-22,29H,14H2,1H3/t21-,22+/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.40E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Displacement of [3H]ezetimibe-glucuronide from NPC1L1 in Sprague-Dawley rat brush border membrane |
Bioorg Med Chem Lett 18: 546-53 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.083 BindingDB Entry DOI: 10.7270/Q22F7P9P |
More data for this Ligand-Target Pair | |
NPC1-like intracellular cholesterol transporter 1
(Rattus norvegicus) | BDBM50371543
![PNG](/data/jpeg/tenK5037/BindingDB_50371543.png) (CHEMBL272091)Show SMILES COc1cccc(OC[C@@H](O)[C@H]2OC(=O)N([C@@H]2c2ccc(O)cc2)c2ccc(F)cc2)c1 Show InChI InChI=1S/C24H22FNO6/c1-30-19-3-2-4-20(13-19)31-14-21(28)23-22(15-5-11-18(27)12-6-15)26(24(29)32-23)17-9-7-16(25)8-10-17/h2-13,21-23,27-28H,14H2,1H3/t21-,22-,23-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Displacement of [3H]ezetimibe-glucuronide from NPC1L1 in Sprague-Dawley rat brush border membrane |
Bioorg Med Chem Lett 18: 546-53 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.083 BindingDB Entry DOI: 10.7270/Q22F7P9P |
More data for this Ligand-Target Pair | |
NPC1-like intracellular cholesterol transporter 1
(Rattus norvegicus) | BDBM50371534
![PNG](/data/jpeg/tenK5037/BindingDB_50371534.png) (CHEMBL257474)Show SMILES Cc1ccc([C@@H]2[C@H](OC(=O)N2c2cccc(F)c2)[C@H](O)CCc2ccccc2)c(O)c1 Show InChI InChI=1S/C25H24FNO4/c1-16-10-12-20(22(29)14-16)23-24(21(28)13-11-17-6-3-2-4-7-17)31-25(30)27(23)19-9-5-8-18(26)15-19/h2-10,12,14-15,21,23-24,28-29H,11,13H2,1H3/t21-,23-,24-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.60E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Displacement of [3H]ezetimibe-glucuronide from NPC1L1 in Sprague-Dawley rat brush border membrane |
Bioorg Med Chem Lett 18: 546-53 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.083 BindingDB Entry DOI: 10.7270/Q22F7P9P |
More data for this Ligand-Target Pair | |
NPC1-like intracellular cholesterol transporter 1
(Rattus norvegicus) | BDBM50371535
![PNG](/data/jpeg/tenK5037/BindingDB_50371535.png) (CHEMBL257095)Show SMILES O[C@H](CCc1ccccc1)[C@H]1OC(=O)N([C@@H]1c1cc(F)ccc1O)c1cccc(F)c1 Show InChI InChI=1S/C24H21F2NO4/c25-16-7-4-8-18(13-16)27-22(19-14-17(26)10-12-20(19)28)23(31-24(27)30)21(29)11-9-15-5-2-1-3-6-15/h1-8,10,12-14,21-23,28-29H,9,11H2/t21-,22-,23-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.80E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Displacement of [3H]ezetimibe-glucuronide from NPC1L1 in Sprague-Dawley rat brush border membrane |
Bioorg Med Chem Lett 18: 546-53 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.083 BindingDB Entry DOI: 10.7270/Q22F7P9P |
More data for this Ligand-Target Pair | |
NPC1-like intracellular cholesterol transporter 1
(Rattus norvegicus) | BDBM50371536
![PNG](/data/jpeg/tenK5037/BindingDB_50371536.png) (CHEMBL430216)Show SMILES O[C@H](CCc1ccccc1)[C@H]1OC(=O)N([C@@H]1c1ccc(F)cc1O)c1cccc(F)c1 Show InChI InChI=1S/C24H21F2NO4/c25-16-7-4-8-18(13-16)27-22(19-11-10-17(26)14-21(19)29)23(31-24(27)30)20(28)12-9-15-5-2-1-3-6-15/h1-8,10-11,13-14,20,22-23,28-29H,9,12H2/t20-,22-,23-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.90E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Displacement of [3H]ezetimibe-glucuronide from NPC1L1 in Sprague-Dawley rat brush border membrane |
Bioorg Med Chem Lett 18: 546-53 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.083 BindingDB Entry DOI: 10.7270/Q22F7P9P |
More data for this Ligand-Target Pair | |
NPC1-like intracellular cholesterol transporter 1
(Rattus norvegicus) | BDBM50371541
![PNG](/data/jpeg/tenK5037/BindingDB_50371541.png) (CHEMBL404200)Show SMILES O[C@H](CNc1ccc(F)cc1)[C@H]1OC(=O)N([C@@H]1c1ccc(O)cc1)c1ccc(F)cc1 Show InChI InChI=1S/C23H20F2N2O4/c24-15-3-7-17(8-4-15)26-13-20(29)22-21(14-1-11-19(28)12-2-14)27(23(30)31-22)18-9-5-16(25)6-10-18/h1-12,20-22,26,28-29H,13H2/t20-,21-,22-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.90E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Displacement of [3H]ezetimibe-glucuronide from NPC1L1 in Sprague-Dawley rat brush border membrane |
Bioorg Med Chem Lett 18: 546-53 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.083 BindingDB Entry DOI: 10.7270/Q22F7P9P |
More data for this Ligand-Target Pair | |
NPC1-like intracellular cholesterol transporter 1
(Rattus norvegicus) | BDBM50371546
![PNG](/data/jpeg/tenK5037/BindingDB_50371546.png) (CHEMBL429751)Show SMILES COc1ccc([C@@H]2[C@H](OC(=O)N2c2cccc(F)c2)[C@H](O)COc2ccc(F)cc2)c(O)c1 Show InChI InChI=1S/C24H21F2NO6/c1-31-18-9-10-19(20(28)12-18)22-23(21(29)13-32-17-7-5-14(25)6-8-17)33-24(30)27(22)16-4-2-3-15(26)11-16/h2-12,21-23,28-29H,13H2,1H3/t21-,22-,23-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 2.80E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Displacement of [3H]ezetimibe-glucuronide from NPC1L1 in Sprague-Dawley rat brush border membrane |
Bioorg Med Chem Lett 18: 546-53 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.083 BindingDB Entry DOI: 10.7270/Q22F7P9P |
More data for this Ligand-Target Pair | |
NPC1-like intracellular cholesterol transporter 1
(Rattus norvegicus) | BDBM50371529
![PNG](/data/jpeg/tenK5037/BindingDB_50371529.png) (CHEMBL271856)Show SMILES O[C@H](COc1ccc(F)cc1)[C@H]1OC(=O)N([C@@H]1c1ccc(O)cc1)c1ccc(F)cc1 Show InChI InChI=1S/C23H19F2NO5/c24-15-3-7-17(8-4-15)26-21(14-1-9-18(27)10-2-14)22(31-23(26)29)20(28)13-30-19-11-5-16(25)6-12-19/h1-12,20-22,27-28H,13H2/t20-,21-,22-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 2.80E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Displacement of [3H]ezetimibe-glucuronide from NPC1L1 in Sprague-Dawley rat brush border membrane |
Bioorg Med Chem Lett 18: 546-53 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.083 BindingDB Entry DOI: 10.7270/Q22F7P9P |
More data for this Ligand-Target Pair | |
NPC1-like intracellular cholesterol transporter 1
(Rattus norvegicus) | BDBM50371526
![PNG](/data/jpeg/tenK5037/BindingDB_50371526.png) (CHEMBL270155)Show SMILES Oc1ccc(cc1)[C@@H]1[C@H](OC(=O)N1c1ccc(F)cc1)C(=O)NCc1ccc(F)cc1 Show InChI InChI=1S/C23H18F2N2O4/c24-16-5-1-14(2-6-16)13-26-22(29)21-20(15-3-11-19(28)12-4-15)27(23(30)31-21)18-9-7-17(25)8-10-18/h1-12,20-21,28H,13H2,(H,26,29)/t20-,21+/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Displacement of [3H]ezetimibe-glucuronide from NPC1L1 in Sprague-Dawley rat brush border membrane |
Bioorg Med Chem Lett 18: 546-53 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.083 BindingDB Entry DOI: 10.7270/Q22F7P9P |
More data for this Ligand-Target Pair | |
NPC1-like intracellular cholesterol transporter 1
(Rattus norvegicus) | BDBM50371516
![PNG](/data/jpeg/tenK5037/BindingDB_50371516.png) (CHEMBL442973)Show SMILES O[C@H](CCc1ccccc1)[C@H]1OC(=O)N([C@@H]1c1cccc(O)c1)c1ccc(F)cc1 Show InChI InChI=1S/C24H22FNO4/c25-18-10-12-19(13-11-18)26-22(17-7-4-8-20(27)15-17)23(30-24(26)29)21(28)14-9-16-5-2-1-3-6-16/h1-8,10-13,15,21-23,27-28H,9,14H2/t21-,22-,23-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 3.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Displacement of [3H]ezetimibe-glucuronide from NPC1L1 in Sprague-Dawley rat brush border membrane |
Bioorg Med Chem Lett 18: 546-53 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.083 BindingDB Entry DOI: 10.7270/Q22F7P9P |
More data for this Ligand-Target Pair | |
NPC1-like intracellular cholesterol transporter 1
(Rattus norvegicus) | BDBM50371545
![PNG](/data/jpeg/tenK5037/BindingDB_50371545.png) (CHEMBL403245)Show SMILES O[C@H](COc1ccc(Cl)cc1)[C@H]1OC(=O)N([C@@H]1c1ccc(O)cc1)c1ccc(F)cc1 Show InChI InChI=1S/C23H19ClFNO5/c24-15-3-11-19(12-4-15)30-13-20(28)22-21(14-1-9-18(27)10-2-14)26(23(29)31-22)17-7-5-16(25)6-8-17/h1-12,20-22,27-28H,13H2/t20-,21-,22-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 4.90E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Displacement of [3H]ezetimibe-glucuronide from NPC1L1 in Sprague-Dawley rat brush border membrane |
Bioorg Med Chem Lett 18: 546-53 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.083 BindingDB Entry DOI: 10.7270/Q22F7P9P |
More data for this Ligand-Target Pair | |