Found 62 hits of Enzyme Inhibition Constant Data Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kJ/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50391631
(CHEMBL2148013)Show SMILES CC(=O)N[C@@H](Cc1ccc(OCCc2ccccc2)cc1)C(=O)NO |r| Show InChI InChI=1S/C19H22N2O4/c1-14(22)20-18(19(23)21-24)13-16-7-9-17(10-8-16)25-12-11-15-5-3-2-4-6-15/h2-10,18,24H,11-13H2,1H3,(H,20,22)(H,21,23)/t18-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Tianjin Medical University
Curated by ChEMBL
| Assay Description
Inhibition of MMP2 using BML-P125-9090 as substrate after 30 mins by microplate reader analysis |
Bioorg Med Chem 20: 5738-44 (2012)
Article DOI: 10.1016/j.bmc.2012.08.014
BindingDB Entry DOI: 10.7270/Q2988849 |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM13080
(CGS 27023A Analog 3 | N-hydroxy-2-[(4-methoxybenze...)Show InChI InChI=1S/C13H20N2O5S/c1-10(2)8-15(9-13(16)14-17)21(18,19)12-6-4-11(20-3)5-7-12/h4-7,10,17H,8-9H2,1-3H3,(H,14,16) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
DrugBank
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
Tianjin Medical University
Curated by ChEMBL
| Assay Description
Inhibition of MMP2 using BML-P125-9090 as substrate after 30 mins by microplate reader analysis |
Bioorg Med Chem 20: 5738-44 (2012)
Article DOI: 10.1016/j.bmc.2012.08.014
BindingDB Entry DOI: 10.7270/Q2988849 |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50391620
(CHEMBL2148015)Show SMILES Cc1ccc(cc1)S(=O)(=O)N[C@@H](Cc1ccc(OCCc2ccccc2)cc1)C(=O)NO |r| Show InChI InChI=1S/C24H26N2O5S/c1-18-7-13-22(14-8-18)32(29,30)26-23(24(27)25-28)17-20-9-11-21(12-10-20)31-16-15-19-5-3-2-4-6-19/h2-14,23,26,28H,15-17H2,1H3,(H,25,27)/t23-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
Tianjin Medical University
Curated by ChEMBL
| Assay Description
Inhibition of MMP2 using BML-P125-9090 as substrate after 30 mins by microplate reader analysis |
Bioorg Med Chem 20: 5738-44 (2012)
Article DOI: 10.1016/j.bmc.2012.08.014
BindingDB Entry DOI: 10.7270/Q2988849 |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50391625
(CHEMBL2148010)Show SMILES Cc1ccc(cc1)S(=O)(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)NO |r| Show InChI InChI=1S/C23H24N2O5S/c1-17-7-13-21(14-8-17)31(28,29)25-22(23(26)24-27)15-18-9-11-20(12-10-18)30-16-19-5-3-2-4-6-19/h2-14,22,25,27H,15-16H2,1H3,(H,24,26)/t22-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
Tianjin Medical University
Curated by ChEMBL
| Assay Description
Inhibition of MMP2 using BML-P125-9090 as substrate after 30 mins by microplate reader analysis |
Bioorg Med Chem 20: 5738-44 (2012)
Article DOI: 10.1016/j.bmc.2012.08.014
BindingDB Entry DOI: 10.7270/Q2988849 |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50391619
(CHEMBL2148014)Show SMILES CS(=O)(=O)N[C@@H](Cc1ccc(OCCc2ccccc2)cc1)C(=O)NO |r| Show InChI InChI=1S/C18H22N2O5S/c1-26(23,24)20-17(18(21)19-22)13-15-7-9-16(10-8-15)25-12-11-14-5-3-2-4-6-14/h2-10,17,20,22H,11-13H2,1H3,(H,19,21)/t17-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 29 | n/a | n/a | n/a | n/a | n/a | n/a |
Tianjin Medical University
Curated by ChEMBL
| Assay Description
Inhibition of MMP2 using BML-P125-9090 as substrate after 30 mins by microplate reader analysis |
Bioorg Med Chem 20: 5738-44 (2012)
Article DOI: 10.1016/j.bmc.2012.08.014
BindingDB Entry DOI: 10.7270/Q2988849 |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50391621
(CHEMBL2148008)Show SMILES CC(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)NO |r| Show InChI InChI=1S/C18H20N2O4/c1-13(21)19-17(18(22)20-23)11-14-7-9-16(10-8-14)24-12-15-5-3-2-4-6-15/h2-10,17,23H,11-12H2,1H3,(H,19,21)(H,20,22)/t17-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 37 | n/a | n/a | n/a | n/a | n/a | n/a |
Tianjin Medical University
Curated by ChEMBL
| Assay Description
Inhibition of MMP2 using BML-P125-9090 as substrate after 30 mins by microplate reader analysis |
Bioorg Med Chem 20: 5738-44 (2012)
Article DOI: 10.1016/j.bmc.2012.08.014
BindingDB Entry DOI: 10.7270/Q2988849 |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50391624
(CHEMBL2148009)Show SMILES CS(=O)(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)NO |r| Show InChI InChI=1S/C17H20N2O5S/c1-25(22,23)19-16(17(20)18-21)11-13-7-9-15(10-8-13)24-12-14-5-3-2-4-6-14/h2-10,16,19,21H,11-12H2,1H3,(H,18,20)/t16-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 67 | n/a | n/a | n/a | n/a | n/a | n/a |
Tianjin Medical University
Curated by ChEMBL
| Assay Description
Inhibition of MMP2 using BML-P125-9090 as substrate after 30 mins by microplate reader analysis |
Bioorg Med Chem 20: 5738-44 (2012)
Article DOI: 10.1016/j.bmc.2012.08.014
BindingDB Entry DOI: 10.7270/Q2988849 |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50391610
(CHEMBL2147950)Show SMILES CS(=O)(=O)N[C@@H](Cc1ccc(OCCc2ccccc2)cc1)C(O)=O |r| Show InChI InChI=1S/C18H21NO5S/c1-25(22,23)19-17(18(20)21)13-15-7-9-16(10-8-15)24-12-11-14-5-3-2-4-6-14/h2-10,17,19H,11-13H2,1H3,(H,20,21)/t17-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 120 | n/a | n/a | n/a | n/a | n/a | n/a |
Tianjin Medical University
Curated by ChEMBL
| Assay Description
Inhibition of MMP2 using BML-P125-9090 as substrate after 30 mins by microplate reader analysis |
Bioorg Med Chem 20: 5738-44 (2012)
Article DOI: 10.1016/j.bmc.2012.08.014
BindingDB Entry DOI: 10.7270/Q2988849 |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50391629
(CHEMBL2147951)Show SMILES Cc1ccc(cc1)S(=O)(=O)N[C@@H](Cc1ccc(OCCc2ccccc2)cc1)C(O)=O |r| Show InChI InChI=1S/C24H25NO5S/c1-18-7-13-22(14-8-18)31(28,29)25-23(24(26)27)17-20-9-11-21(12-10-20)30-16-15-19-5-3-2-4-6-19/h2-14,23,25H,15-17H2,1H3,(H,26,27)/t23-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 270 | n/a | n/a | n/a | n/a | n/a | n/a |
Tianjin Medical University
Curated by ChEMBL
| Assay Description
Inhibition of MMP2 using BML-P125-9090 as substrate after 30 mins by microplate reader analysis |
Bioorg Med Chem 20: 5738-44 (2012)
Article DOI: 10.1016/j.bmc.2012.08.014
BindingDB Entry DOI: 10.7270/Q2988849 |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50391611
(CHEMBL2147953)Show SMILES Cc1ccc(cc1)C(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)NO |r| Show InChI InChI=1S/C24H24N2O4/c1-17-7-11-20(12-8-17)23(27)25-22(24(28)26-29)15-18-9-13-21(14-10-18)30-16-19-5-3-2-4-6-19/h2-14,22,29H,15-16H2,1H3,(H,25,27)(H,26,28)/t22-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 460 | n/a | n/a | n/a | n/a | n/a | n/a |
Tianjin Medical University
Curated by ChEMBL
| Assay Description
Inhibition of MMP2 using BML-P125-9090 as substrate after 30 mins by microplate reader analysis |
Bioorg Med Chem 20: 5738-44 (2012)
Article DOI: 10.1016/j.bmc.2012.08.014
BindingDB Entry DOI: 10.7270/Q2988849 |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50391622
(CHEMBL2147949)Show SMILES CC(=O)N[C@@H](Cc1ccc(OCCc2ccccc2)cc1)C(O)=O |r| Show InChI InChI=1S/C19H21NO4/c1-14(21)20-18(19(22)23)13-16-7-9-17(10-8-16)24-12-11-15-5-3-2-4-6-15/h2-10,18H,11-13H2,1H3,(H,20,21)(H,22,23)/t18-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 750 | n/a | n/a | n/a | n/a | n/a | n/a |
Tianjin Medical University
Curated by ChEMBL
| Assay Description
Inhibition of MMP2 using BML-P125-9090 as substrate after 30 mins by microplate reader analysis |
Bioorg Med Chem 20: 5738-44 (2012)
Article DOI: 10.1016/j.bmc.2012.08.014
BindingDB Entry DOI: 10.7270/Q2988849 |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50391623
(CHEMBL2148011)Show SMILES ONC(=O)[C@H](Cc1ccc(OCCc2ccccc2)cc1)NC(=O)c1ccccc1 |r| Show InChI InChI=1S/C24H24N2O4/c27-23(20-9-5-2-6-10-20)25-22(24(28)26-29)17-19-11-13-21(14-12-19)30-16-15-18-7-3-1-4-8-18/h1-14,22,29H,15-17H2,(H,25,27)(H,26,28)/t22-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 900 | n/a | n/a | n/a | n/a | n/a | n/a |
Tianjin Medical University
Curated by ChEMBL
| Assay Description
Inhibition of MMP2 using BML-P125-9090 as substrate after 30 mins by microplate reader analysis |
Bioorg Med Chem 20: 5738-44 (2012)
Article DOI: 10.1016/j.bmc.2012.08.014
BindingDB Entry DOI: 10.7270/Q2988849 |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50391630
(CHEMBL2147945)Show SMILES CS(=O)(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(O)=O |r| Show InChI InChI=1S/C17H19NO5S/c1-24(21,22)18-16(17(19)20)11-13-7-9-15(10-8-13)23-12-14-5-3-2-4-6-14/h2-10,16,18H,11-12H2,1H3,(H,19,20)/t16-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Tianjin Medical University
Curated by ChEMBL
| Assay Description
Inhibition of MMP2 using BML-P125-9090 as substrate after 30 mins by microplate reader analysis |
Bioorg Med Chem 20: 5738-44 (2012)
Article DOI: 10.1016/j.bmc.2012.08.014
BindingDB Entry DOI: 10.7270/Q2988849 |
More data for this
Ligand-Target Pair | |
Histone deacetylase 8
(Homo sapiens (Human)) | BDBM19149
(CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...)Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| DrugBank
MMDB
PDB
Article
PubMed
| n/a | n/a | 1.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Tianjin Medical University
Curated by ChEMBL
| Assay Description
Inhibition of HDAC8 after 45 mins by microplate fluorometric analysis |
Bioorg Med Chem 20: 5738-44 (2012)
Article DOI: 10.1016/j.bmc.2012.08.014
BindingDB Entry DOI: 10.7270/Q2988849 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50391626
(CHEMBL2147952)Show SMILES ONC(=O)[C@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)c1ccccc1 |r| Show InChI InChI=1S/C23H22N2O4/c26-22(19-9-5-2-6-10-19)24-21(23(27)25-28)15-17-11-13-20(14-12-17)29-16-18-7-3-1-4-8-18/h1-14,21,28H,15-16H2,(H,24,26)(H,25,27)/t21-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Tianjin Medical University
Curated by ChEMBL
| Assay Description
Inhibition of MMP2 using BML-P125-9090 as substrate after 30 mins by microplate reader analysis |
Bioorg Med Chem 20: 5738-44 (2012)
Article DOI: 10.1016/j.bmc.2012.08.014
BindingDB Entry DOI: 10.7270/Q2988849 |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50391617
(CHEMBL2147940)Show SMILES COC(=O)[C@H](Cc1ccc(OCCc2ccccc2)cc1)NS(C)(=O)=O |r| Show InChI InChI=1S/C19H23NO5S/c1-24-19(21)18(20-26(2,22)23)14-16-8-10-17(11-9-16)25-13-12-15-6-4-3-5-7-15/h3-11,18,20H,12-14H2,1-2H3/t18-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Tianjin Medical University
Curated by ChEMBL
| Assay Description
Inhibition of MMP2 using BML-P125-9090 as substrate after 30 mins by microplate reader analysis |
Bioorg Med Chem 20: 5738-44 (2012)
Article DOI: 10.1016/j.bmc.2012.08.014
BindingDB Entry DOI: 10.7270/Q2988849 |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50391613
(CHEMBL2147946)Show SMILES Cc1ccc(cc1)S(=O)(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(O)=O |r| Show InChI InChI=1S/C23H23NO5S/c1-17-7-13-21(14-8-17)30(27,28)24-22(23(25)26)15-18-9-11-20(12-10-18)29-16-19-5-3-2-4-6-19/h2-14,22,24H,15-16H2,1H3,(H,25,26)/t22-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Tianjin Medical University
Curated by ChEMBL
| Assay Description
Inhibition of MMP2 using BML-P125-9090 as substrate after 30 mins by microplate reader analysis |
Bioorg Med Chem 20: 5738-44 (2012)
Article DOI: 10.1016/j.bmc.2012.08.014
BindingDB Entry DOI: 10.7270/Q2988849 |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50391612
(CHEMBL2147944)Show SMILES CC(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(O)=O |r| Show InChI InChI=1S/C18H19NO4/c1-13(20)19-17(18(21)22)11-14-7-9-16(10-8-14)23-12-15-5-3-2-4-6-15/h2-10,17H,11-12H2,1H3,(H,19,20)(H,21,22)/t17-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Tianjin Medical University
Curated by ChEMBL
| Assay Description
Inhibition of MMP2 using BML-P125-9090 as substrate after 30 mins by microplate reader analysis |
Bioorg Med Chem 20: 5738-44 (2012)
Article DOI: 10.1016/j.bmc.2012.08.014
BindingDB Entry DOI: 10.7270/Q2988849 |
More data for this
Ligand-Target Pair | |
Histone deacetylase 8
(Homo sapiens (Human)) | BDBM50391624
(CHEMBL2148009)Show SMILES CS(=O)(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)NO |r| Show InChI InChI=1S/C17H20N2O5S/c1-25(22,23)19-16(17(20)18-21)11-13-7-9-15(10-8-13)24-12-14-5-3-2-4-6-14/h2-10,16,19,21H,11-12H2,1H3,(H,18,20)/t16-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Tianjin Medical University
Curated by ChEMBL
| Assay Description
Inhibition of HDAC8 after 45 mins by microplate fluorometric analysis |
Bioorg Med Chem 20: 5738-44 (2012)
Article DOI: 10.1016/j.bmc.2012.08.014
BindingDB Entry DOI: 10.7270/Q2988849 |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50391634
(CHEMBL2148012)Show SMILES Cc1ccc(cc1)C(=O)N[C@@H](Cc1ccc(OCCc2ccccc2)cc1)C(=O)NO |r| Show InChI InChI=1S/C25H26N2O4/c1-18-7-11-21(12-8-18)24(28)26-23(25(29)27-30)17-20-9-13-22(14-10-20)31-16-15-19-5-3-2-4-6-19/h2-14,23,30H,15-17H2,1H3,(H,26,28)(H,27,29)/t23-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Tianjin Medical University
Curated by ChEMBL
| Assay Description
Inhibition of MMP2 using BML-P125-9090 as substrate after 30 mins by microplate reader analysis |
Bioorg Med Chem 20: 5738-44 (2012)
Article DOI: 10.1016/j.bmc.2012.08.014
BindingDB Entry DOI: 10.7270/Q2988849 |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50391636
(CHEMBL2147948)Show SMILES Cc1ccc(cc1)C(=O)N[C@@H](Cc1ccc(OCCc2ccccc2)cc1)C(O)=O |r| Show InChI InChI=1S/C25H25NO4/c1-18-7-11-21(12-8-18)24(27)26-23(25(28)29)17-20-9-13-22(14-10-20)30-16-15-19-5-3-2-4-6-19/h2-14,23H,15-17H2,1H3,(H,26,27)(H,28,29)/t23-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Tianjin Medical University
Curated by ChEMBL
| Assay Description
Inhibition of MMP2 using BML-P125-9090 as substrate after 30 mins by microplate reader analysis |
Bioorg Med Chem 20: 5738-44 (2012)
Article DOI: 10.1016/j.bmc.2012.08.014
BindingDB Entry DOI: 10.7270/Q2988849 |
More data for this
Ligand-Target Pair | |
Histone deacetylase 8
(Homo sapiens (Human)) | BDBM50391621
(CHEMBL2148008)Show SMILES CC(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)NO |r| Show InChI InChI=1S/C18H20N2O4/c1-13(21)19-17(18(22)20-23)11-14-7-9-16(10-8-14)24-12-15-5-3-2-4-6-15/h2-10,17,23H,11-12H2,1H3,(H,19,21)(H,20,22)/t17-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Tianjin Medical University
Curated by ChEMBL
| Assay Description
Inhibition of HDAC8 after 45 mins by microplate fluorometric analysis |
Bioorg Med Chem 20: 5738-44 (2012)
Article DOI: 10.1016/j.bmc.2012.08.014
BindingDB Entry DOI: 10.7270/Q2988849 |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50391614
(CHEMBL2147941)Show SMILES COC(=O)[C@H](Cc1ccc(OCCc2ccccc2)cc1)NS(=O)(=O)c1ccc(C)cc1 |r| Show InChI InChI=1S/C25H27NO5S/c1-19-8-14-23(15-9-19)32(28,29)26-24(25(27)30-2)18-21-10-12-22(13-11-21)31-17-16-20-6-4-3-5-7-20/h3-15,24,26H,16-18H2,1-2H3/t24-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Tianjin Medical University
Curated by ChEMBL
| Assay Description
Inhibition of MMP2 using BML-P125-9090 as substrate after 30 mins by microplate reader analysis |
Bioorg Med Chem 20: 5738-44 (2012)
Article DOI: 10.1016/j.bmc.2012.08.014
BindingDB Entry DOI: 10.7270/Q2988849 |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50391635
(CHEMBL2147947)Show SMILES OC(=O)[C@H](Cc1ccc(OCCc2ccccc2)cc1)NC(=O)c1ccccc1 |r| Show InChI InChI=1S/C24H23NO4/c26-23(20-9-5-2-6-10-20)25-22(24(27)28)17-19-11-13-21(14-12-19)29-16-15-18-7-3-1-4-8-18/h1-14,22H,15-17H2,(H,25,26)(H,27,28)/t22-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Tianjin Medical University
Curated by ChEMBL
| Assay Description
Inhibition of MMP2 using BML-P125-9090 as substrate after 30 mins by microplate reader analysis |
Bioorg Med Chem 20: 5738-44 (2012)
Article DOI: 10.1016/j.bmc.2012.08.014
BindingDB Entry DOI: 10.7270/Q2988849 |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50391637
(CHEMBL2147943)Show SMILES Cc1ccc(cc1)C(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(O)=O |r| Show InChI InChI=1S/C24H23NO4/c1-17-7-11-20(12-8-17)23(26)25-22(24(27)28)15-18-9-13-21(14-10-18)29-16-19-5-3-2-4-6-19/h2-14,22H,15-16H2,1H3,(H,25,26)(H,27,28)/t22-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 8.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Tianjin Medical University
Curated by ChEMBL
| Assay Description
Inhibition of MMP2 using BML-P125-9090 as substrate after 30 mins by microplate reader analysis |
Bioorg Med Chem 20: 5738-44 (2012)
Article DOI: 10.1016/j.bmc.2012.08.014
BindingDB Entry DOI: 10.7270/Q2988849 |
More data for this
Ligand-Target Pair | |
Histone deacetylase 8
(Homo sapiens (Human)) | BDBM50391626
(CHEMBL2147952)Show SMILES ONC(=O)[C@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)c1ccccc1 |r| Show InChI InChI=1S/C23H22N2O4/c26-22(19-9-5-2-6-10-19)24-21(23(27)25-28)15-17-11-13-20(14-12-17)29-16-18-7-3-1-4-8-18/h1-14,21,28H,15-16H2,(H,24,26)(H,25,27)/t21-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 9.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Tianjin Medical University
Curated by ChEMBL
| Assay Description
Inhibition of HDAC8 after 45 mins by microplate fluorometric analysis |
Bioorg Med Chem 20: 5738-44 (2012)
Article DOI: 10.1016/j.bmc.2012.08.014
BindingDB Entry DOI: 10.7270/Q2988849 |
More data for this
Ligand-Target Pair | |
Histone deacetylase 8
(Homo sapiens (Human)) | BDBM50391619
(CHEMBL2148014)Show SMILES CS(=O)(=O)N[C@@H](Cc1ccc(OCCc2ccccc2)cc1)C(=O)NO |r| Show InChI InChI=1S/C18H22N2O5S/c1-26(23,24)20-17(18(21)19-22)13-15-7-9-16(10-8-15)25-12-11-14-5-3-2-4-6-14/h2-10,17,20,22H,11-13H2,1H3,(H,19,21)/t17-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 9.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Tianjin Medical University
Curated by ChEMBL
| Assay Description
Inhibition of HDAC8 after 45 mins by microplate fluorometric analysis |
Bioorg Med Chem 20: 5738-44 (2012)
Article DOI: 10.1016/j.bmc.2012.08.014
BindingDB Entry DOI: 10.7270/Q2988849 |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50391632
(CHEMBL2147942)Show SMILES OC(=O)[C@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)c1ccccc1 |r| Show InChI InChI=1S/C23H21NO4/c25-22(19-9-5-2-6-10-19)24-21(23(26)27)15-17-11-13-20(14-12-17)28-16-18-7-3-1-4-8-18/h1-14,21H,15-16H2,(H,24,25)(H,26,27)/t21-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 9.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Tianjin Medical University
Curated by ChEMBL
| Assay Description
Inhibition of MMP2 using BML-P125-9090 as substrate after 30 mins by microplate reader analysis |
Bioorg Med Chem 20: 5738-44 (2012)
Article DOI: 10.1016/j.bmc.2012.08.014
BindingDB Entry DOI: 10.7270/Q2988849 |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50391615
(CHEMBL2147936)Show SMILES COC(=O)[C@H](Cc1ccc(OCc2ccccc2)cc1)NS(=O)(=O)c1ccc(C)cc1 |r| Show InChI InChI=1S/C24H25NO5S/c1-18-8-14-22(15-9-18)31(27,28)25-23(24(26)29-2)16-19-10-12-21(13-11-19)30-17-20-6-4-3-5-7-20/h3-15,23,25H,16-17H2,1-2H3/t23-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.07E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Tianjin Medical University
Curated by ChEMBL
| Assay Description
Inhibition of MMP2 using BML-P125-9090 as substrate after 30 mins by microplate reader analysis |
Bioorg Med Chem 20: 5738-44 (2012)
Article DOI: 10.1016/j.bmc.2012.08.014
BindingDB Entry DOI: 10.7270/Q2988849 |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50391627
(CHEMBL2147939)Show SMILES COC(=O)[C@H](Cc1ccc(OCCc2ccccc2)cc1)NC(C)=O |r| Show InChI InChI=1S/C20H23NO4/c1-15(22)21-19(20(23)24-2)14-17-8-10-18(11-9-17)25-13-12-16-6-4-3-5-7-16/h3-11,19H,12-14H2,1-2H3,(H,21,22)/t19-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.25E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Tianjin Medical University
Curated by ChEMBL
| Assay Description
Inhibition of MMP2 using BML-P125-9090 as substrate after 30 mins by microplate reader analysis |
Bioorg Med Chem 20: 5738-44 (2012)
Article DOI: 10.1016/j.bmc.2012.08.014
BindingDB Entry DOI: 10.7270/Q2988849 |
More data for this
Ligand-Target Pair | |
Histone deacetylase 8
(Homo sapiens (Human)) | BDBM50391631
(CHEMBL2148013)Show SMILES CC(=O)N[C@@H](Cc1ccc(OCCc2ccccc2)cc1)C(=O)NO |r| Show InChI InChI=1S/C19H22N2O4/c1-14(22)20-18(19(23)21-24)13-16-7-9-17(10-8-16)25-12-11-15-5-3-2-4-6-15/h2-10,18,24H,11-13H2,1H3,(H,20,22)(H,21,23)/t18-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.44E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Tianjin Medical University
Curated by ChEMBL
| Assay Description
Inhibition of HDAC8 after 45 mins by microplate fluorometric analysis |
Bioorg Med Chem 20: 5738-44 (2012)
Article DOI: 10.1016/j.bmc.2012.08.014
BindingDB Entry DOI: 10.7270/Q2988849 |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50391618
(CHEMBL2147935)Show SMILES COC(=O)[C@H](Cc1ccc(OCc2ccccc2)cc1)NS(C)(=O)=O |r| Show InChI InChI=1S/C18H21NO5S/c1-23-18(20)17(19-25(2,21)22)12-14-8-10-16(11-9-14)24-13-15-6-4-3-5-7-15/h3-11,17,19H,12-13H2,1-2H3/t17-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.78E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Tianjin Medical University
Curated by ChEMBL
| Assay Description
Inhibition of MMP2 using BML-P125-9090 as substrate after 30 mins by microplate reader analysis |
Bioorg Med Chem 20: 5738-44 (2012)
Article DOI: 10.1016/j.bmc.2012.08.014
BindingDB Entry DOI: 10.7270/Q2988849 |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50391628
(CHEMBL2147934)Show SMILES COC(=O)[C@H](Cc1ccc(OCc2ccccc2)cc1)NC(C)=O |r| Show InChI InChI=1S/C19H21NO4/c1-14(21)20-18(19(22)23-2)12-15-8-10-17(11-9-15)24-13-16-6-4-3-5-7-16/h3-11,18H,12-13H2,1-2H3,(H,20,21)/t18-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.76E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Tianjin Medical University
Curated by ChEMBL
| Assay Description
Inhibition of MMP2 using BML-P125-9090 as substrate after 30 mins by microplate reader analysis |
Bioorg Med Chem 20: 5738-44 (2012)
Article DOI: 10.1016/j.bmc.2012.08.014
BindingDB Entry DOI: 10.7270/Q2988849 |
More data for this
Ligand-Target Pair | |
Histone deacetylase 8
(Homo sapiens (Human)) | BDBM50391623
(CHEMBL2148011)Show SMILES ONC(=O)[C@H](Cc1ccc(OCCc2ccccc2)cc1)NC(=O)c1ccccc1 |r| Show InChI InChI=1S/C24H24N2O4/c27-23(20-9-5-2-6-10-20)25-22(24(28)26-29)17-19-11-13-21(14-12-19)30-16-15-18-7-3-1-4-8-18/h1-14,22,29H,15-17H2,(H,25,27)(H,26,28)/t22-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.78E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Tianjin Medical University
Curated by ChEMBL
| Assay Description
Inhibition of HDAC8 after 45 mins by microplate fluorometric analysis |
Bioorg Med Chem 20: 5738-44 (2012)
Article DOI: 10.1016/j.bmc.2012.08.014
BindingDB Entry DOI: 10.7270/Q2988849 |
More data for this
Ligand-Target Pair | |
Histone deacetylase 8
(Homo sapiens (Human)) | BDBM50391611
(CHEMBL2147953)Show SMILES Cc1ccc(cc1)C(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)NO |r| Show InChI InChI=1S/C24H24N2O4/c1-17-7-11-20(12-8-17)23(27)25-22(24(28)26-29)15-18-9-13-21(14-10-18)30-16-19-5-3-2-4-6-19/h2-14,22,29H,15-16H2,1H3,(H,25,27)(H,26,28)/t22-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.07E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Tianjin Medical University
Curated by ChEMBL
| Assay Description
Inhibition of HDAC8 after 45 mins by microplate fluorometric analysis |
Bioorg Med Chem 20: 5738-44 (2012)
Article DOI: 10.1016/j.bmc.2012.08.014
BindingDB Entry DOI: 10.7270/Q2988849 |
More data for this
Ligand-Target Pair | |
Histone deacetylase 8
(Homo sapiens (Human)) | BDBM50391612
(CHEMBL2147944)Show SMILES CC(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(O)=O |r| Show InChI InChI=1S/C18H19NO4/c1-13(20)19-17(18(21)22)11-14-7-9-16(10-8-14)23-12-15-5-3-2-4-6-15/h2-10,17H,11-12H2,1H3,(H,19,20)(H,21,22)/t17-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.69E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Tianjin Medical University
Curated by ChEMBL
| Assay Description
Inhibition of HDAC8 after 45 mins by microplate fluorometric analysis |
Bioorg Med Chem 20: 5738-44 (2012)
Article DOI: 10.1016/j.bmc.2012.08.014
BindingDB Entry DOI: 10.7270/Q2988849 |
More data for this
Ligand-Target Pair | |
Histone deacetylase 8
(Homo sapiens (Human)) | BDBM50391625
(CHEMBL2148010)Show SMILES Cc1ccc(cc1)S(=O)(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)NO |r| Show InChI InChI=1S/C23H24N2O5S/c1-17-7-13-21(14-8-17)31(28,29)25-22(23(26)24-27)15-18-9-11-20(12-10-18)30-16-19-5-3-2-4-6-19/h2-14,22,25,27H,15-16H2,1H3,(H,24,26)/t22-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.24E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Tianjin Medical University
Curated by ChEMBL
| Assay Description
Inhibition of HDAC8 after 45 mins by microplate fluorometric analysis |
Bioorg Med Chem 20: 5738-44 (2012)
Article DOI: 10.1016/j.bmc.2012.08.014
BindingDB Entry DOI: 10.7270/Q2988849 |
More data for this
Ligand-Target Pair | |
Histone deacetylase 8
(Homo sapiens (Human)) | BDBM50391630
(CHEMBL2147945)Show SMILES CS(=O)(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(O)=O |r| Show InChI InChI=1S/C17H19NO5S/c1-24(21,22)18-16(17(19)20)11-13-7-9-15(10-8-13)23-12-14-5-3-2-4-6-14/h2-10,16,18H,11-12H2,1H3,(H,19,20)/t16-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.72E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Tianjin Medical University
Curated by ChEMBL
| Assay Description
Inhibition of HDAC8 after 45 mins by microplate fluorometric analysis |
Bioorg Med Chem 20: 5738-44 (2012)
Article DOI: 10.1016/j.bmc.2012.08.014
BindingDB Entry DOI: 10.7270/Q2988849 |
More data for this
Ligand-Target Pair | |
Histone deacetylase 8
(Homo sapiens (Human)) | BDBM50391634
(CHEMBL2148012)Show SMILES Cc1ccc(cc1)C(=O)N[C@@H](Cc1ccc(OCCc2ccccc2)cc1)C(=O)NO |r| Show InChI InChI=1S/C25H26N2O4/c1-18-7-11-21(12-8-18)24(28)26-23(25(29)27-30)17-20-9-13-22(14-10-20)31-16-15-19-5-3-2-4-6-19/h2-14,23,30H,15-17H2,1H3,(H,26,28)(H,27,29)/t23-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.25E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Tianjin Medical University
Curated by ChEMBL
| Assay Description
Inhibition of HDAC8 after 45 mins by microplate fluorometric analysis |
Bioorg Med Chem 20: 5738-44 (2012)
Article DOI: 10.1016/j.bmc.2012.08.014
BindingDB Entry DOI: 10.7270/Q2988849 |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50391633
(CHEMBL2147932)Show SMILES COC(=O)[C@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)c1ccccc1 |r| Show InChI InChI=1S/C24H23NO4/c1-28-24(27)22(25-23(26)20-10-6-3-7-11-20)16-18-12-14-21(15-13-18)29-17-19-8-4-2-5-9-19/h2-15,22H,16-17H2,1H3,(H,25,26)/t22-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6.75E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Tianjin Medical University
Curated by ChEMBL
| Assay Description
Inhibition of MMP2 using BML-P125-9090 as substrate after 30 mins by microplate reader analysis |
Bioorg Med Chem 20: 5738-44 (2012)
Article DOI: 10.1016/j.bmc.2012.08.014
BindingDB Entry DOI: 10.7270/Q2988849 |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50391639
(CHEMBL2147937)Show SMILES COC(=O)[C@H](Cc1ccc(OCCc2ccccc2)cc1)NC(=O)c1ccccc1 |r| Show InChI InChI=1S/C25H25NO4/c1-29-25(28)23(26-24(27)21-10-6-3-7-11-21)18-20-12-14-22(15-13-20)30-17-16-19-8-4-2-5-9-19/h2-15,23H,16-18H2,1H3,(H,26,27)/t23-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7.46E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Tianjin Medical University
Curated by ChEMBL
| Assay Description
Inhibition of MMP2 using BML-P125-9090 as substrate after 30 mins by microplate reader analysis |
Bioorg Med Chem 20: 5738-44 (2012)
Article DOI: 10.1016/j.bmc.2012.08.014
BindingDB Entry DOI: 10.7270/Q2988849 |
More data for this
Ligand-Target Pair | |
Histone deacetylase 8
(Homo sapiens (Human)) | BDBM50391620
(CHEMBL2148015)Show SMILES Cc1ccc(cc1)S(=O)(=O)N[C@@H](Cc1ccc(OCCc2ccccc2)cc1)C(=O)NO |r| Show InChI InChI=1S/C24H26N2O5S/c1-18-7-13-22(14-8-18)32(29,30)26-23(24(27)25-28)17-20-9-11-21(12-10-20)31-16-15-19-5-3-2-4-6-19/h2-14,23,26,28H,15-17H2,1H3,(H,25,27)/t23-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 8.25E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Tianjin Medical University
Curated by ChEMBL
| Assay Description
Inhibition of HDAC8 after 45 mins by microplate fluorometric analysis |
Bioorg Med Chem 20: 5738-44 (2012)
Article DOI: 10.1016/j.bmc.2012.08.014
BindingDB Entry DOI: 10.7270/Q2988849 |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50391616
(CHEMBL2147933)Show SMILES COC(=O)[C@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)c1ccc(C)cc1 |r| Show InChI InChI=1S/C25H25NO4/c1-18-8-12-21(13-9-18)24(27)26-23(25(28)29-2)16-19-10-14-22(15-11-19)30-17-20-6-4-3-5-7-20/h3-15,23H,16-17H2,1-2H3,(H,26,27)/t23-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 8.37E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Tianjin Medical University
Curated by ChEMBL
| Assay Description
Inhibition of MMP2 using BML-P125-9090 as substrate after 30 mins by microplate reader analysis |
Bioorg Med Chem 20: 5738-44 (2012)
Article DOI: 10.1016/j.bmc.2012.08.014
BindingDB Entry DOI: 10.7270/Q2988849 |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50391638
(CHEMBL2147938)Show SMILES COC(=O)[C@H](Cc1ccc(OCCc2ccccc2)cc1)NC(=O)c1ccc(C)cc1 |r| Show InChI InChI=1S/C26H27NO4/c1-19-8-12-22(13-9-19)25(28)27-24(26(29)30-2)18-21-10-14-23(15-11-21)31-17-16-20-6-4-3-5-7-20/h3-15,24H,16-18H2,1-2H3,(H,27,28)/t24-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 8.55E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Tianjin Medical University
Curated by ChEMBL
| Assay Description
Inhibition of MMP2 using BML-P125-9090 as substrate after 30 mins by microplate reader analysis |
Bioorg Med Chem 20: 5738-44 (2012)
Article DOI: 10.1016/j.bmc.2012.08.014
BindingDB Entry DOI: 10.7270/Q2988849 |
More data for this
Ligand-Target Pair | |
Histone deacetylase 8
(Homo sapiens (Human)) | BDBM50391610
(CHEMBL2147950)Show SMILES CS(=O)(=O)N[C@@H](Cc1ccc(OCCc2ccccc2)cc1)C(O)=O |r| Show InChI InChI=1S/C18H21NO5S/c1-25(22,23)19-17(18(20)21)13-15-7-9-16(10-8-15)24-12-11-14-5-3-2-4-6-14/h2-10,17,19H,11-13H2,1H3,(H,20,21)/t17-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.02E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Tianjin Medical University
Curated by ChEMBL
| Assay Description
Inhibition of HDAC8 after 45 mins by microplate fluorometric analysis |
Bioorg Med Chem 20: 5738-44 (2012)
Article DOI: 10.1016/j.bmc.2012.08.014
BindingDB Entry DOI: 10.7270/Q2988849 |
More data for this
Ligand-Target Pair | |
Histone deacetylase 8
(Homo sapiens (Human)) | BDBM50391632
(CHEMBL2147942)Show SMILES OC(=O)[C@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)c1ccccc1 |r| Show InChI InChI=1S/C23H21NO4/c25-22(19-9-5-2-6-10-19)24-21(23(26)27)15-17-11-13-20(14-12-17)28-16-18-7-3-1-4-8-18/h1-14,21H,15-16H2,(H,24,25)(H,26,27)/t21-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.11E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Tianjin Medical University
Curated by ChEMBL
| Assay Description
Inhibition of HDAC8 after 45 mins by microplate fluorometric analysis |
Bioorg Med Chem 20: 5738-44 (2012)
Article DOI: 10.1016/j.bmc.2012.08.014
BindingDB Entry DOI: 10.7270/Q2988849 |
More data for this
Ligand-Target Pair | |
Histone deacetylase 8
(Homo sapiens (Human)) | BDBM50391622
(CHEMBL2147949)Show SMILES CC(=O)N[C@@H](Cc1ccc(OCCc2ccccc2)cc1)C(O)=O |r| Show InChI InChI=1S/C19H21NO4/c1-14(21)20-18(19(22)23)13-16-7-9-17(10-8-16)24-12-11-15-5-3-2-4-6-15/h2-10,18H,11-13H2,1H3,(H,20,21)(H,22,23)/t18-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.21E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Tianjin Medical University
Curated by ChEMBL
| Assay Description
Inhibition of HDAC8 after 45 mins by microplate fluorometric analysis |
Bioorg Med Chem 20: 5738-44 (2012)
Article DOI: 10.1016/j.bmc.2012.08.014
BindingDB Entry DOI: 10.7270/Q2988849 |
More data for this
Ligand-Target Pair | |
Histone deacetylase 8
(Homo sapiens (Human)) | BDBM50391635
(CHEMBL2147947)Show SMILES OC(=O)[C@H](Cc1ccc(OCCc2ccccc2)cc1)NC(=O)c1ccccc1 |r| Show InChI InChI=1S/C24H23NO4/c26-23(20-9-5-2-6-10-20)25-22(24(27)28)17-19-11-13-21(14-12-19)29-16-15-18-7-3-1-4-8-18/h1-14,22H,15-17H2,(H,25,26)(H,27,28)/t22-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.53E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Tianjin Medical University
Curated by ChEMBL
| Assay Description
Inhibition of HDAC8 after 45 mins by microplate fluorometric analysis |
Bioorg Med Chem 20: 5738-44 (2012)
Article DOI: 10.1016/j.bmc.2012.08.014
BindingDB Entry DOI: 10.7270/Q2988849 |
More data for this
Ligand-Target Pair | |
Histone deacetylase 8
(Homo sapiens (Human)) | BDBM50391636
(CHEMBL2147948)Show SMILES Cc1ccc(cc1)C(=O)N[C@@H](Cc1ccc(OCCc2ccccc2)cc1)C(O)=O |r| Show InChI InChI=1S/C25H25NO4/c1-18-7-11-21(12-8-18)24(27)26-23(25(28)29)17-20-9-13-22(14-10-20)30-16-15-19-5-3-2-4-6-19/h2-14,23H,15-17H2,1H3,(H,26,27)(H,28,29)/t23-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.86E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Tianjin Medical University
Curated by ChEMBL
| Assay Description
Inhibition of HDAC8 after 45 mins by microplate fluorometric analysis |
Bioorg Med Chem 20: 5738-44 (2012)
Article DOI: 10.1016/j.bmc.2012.08.014
BindingDB Entry DOI: 10.7270/Q2988849 |
More data for this
Ligand-Target Pair | |
Histone deacetylase 8
(Homo sapiens (Human)) | BDBM50391613
(CHEMBL2147946)Show SMILES Cc1ccc(cc1)S(=O)(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(O)=O |r| Show InChI InChI=1S/C23H23NO5S/c1-17-7-13-21(14-8-17)30(27,28)24-22(23(25)26)15-18-9-11-20(12-10-18)29-16-19-5-3-2-4-6-19/h2-14,22,24H,15-16H2,1H3,(H,25,26)/t22-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.05E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Tianjin Medical University
Curated by ChEMBL
| Assay Description
Inhibition of HDAC8 after 45 mins by microplate fluorometric analysis |
Bioorg Med Chem 20: 5738-44 (2012)
Article DOI: 10.1016/j.bmc.2012.08.014
BindingDB Entry DOI: 10.7270/Q2988849 |
More data for this
Ligand-Target Pair | |
Histone deacetylase 8
(Homo sapiens (Human)) | BDBM50391618
(CHEMBL2147935)Show SMILES COC(=O)[C@H](Cc1ccc(OCc2ccccc2)cc1)NS(C)(=O)=O |r| Show InChI InChI=1S/C18H21NO5S/c1-23-18(20)17(19-25(2,21)22)12-14-8-10-16(11-9-14)24-13-15-6-4-3-5-7-15/h3-11,17,19H,12-13H2,1-2H3/t17-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7.54E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Tianjin Medical University
Curated by ChEMBL
| Assay Description
Inhibition of HDAC8 after 45 mins by microplate fluorometric analysis |
Bioorg Med Chem 20: 5738-44 (2012)
Article DOI: 10.1016/j.bmc.2012.08.014
BindingDB Entry DOI: 10.7270/Q2988849 |
More data for this
Ligand-Target Pair | |
Histone deacetylase 8
(Homo sapiens (Human)) | BDBM50391627
(CHEMBL2147939)Show SMILES COC(=O)[C@H](Cc1ccc(OCCc2ccccc2)cc1)NC(C)=O |r| Show InChI InChI=1S/C20H23NO4/c1-15(22)21-19(20(23)24-2)14-17-8-10-18(11-9-17)25-13-12-16-6-4-3-5-7-16/h3-11,19H,12-14H2,1-2H3,(H,21,22)/t19-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 8.25E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Tianjin Medical University
Curated by ChEMBL
| Assay Description
Inhibition of HDAC8 after 45 mins by microplate fluorometric analysis |
Bioorg Med Chem 20: 5738-44 (2012)
Article DOI: 10.1016/j.bmc.2012.08.014
BindingDB Entry DOI: 10.7270/Q2988849 |
More data for this
Ligand-Target Pair | |
Histone deacetylase 8
(Homo sapiens (Human)) | BDBM50391628
(CHEMBL2147934)Show SMILES COC(=O)[C@H](Cc1ccc(OCc2ccccc2)cc1)NC(C)=O |r| Show InChI InChI=1S/C19H21NO4/c1-14(21)20-18(19(22)23-2)12-15-8-10-17(11-9-15)24-13-16-6-4-3-5-7-16/h3-11,18H,12-13H2,1-2H3,(H,20,21)/t18-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 8.72E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Tianjin Medical University
Curated by ChEMBL
| Assay Description
Inhibition of HDAC8 after 45 mins by microplate fluorometric analysis |
Bioorg Med Chem 20: 5738-44 (2012)
Article DOI: 10.1016/j.bmc.2012.08.014
BindingDB Entry DOI: 10.7270/Q2988849 |
More data for this
Ligand-Target Pair | |
Histone deacetylase 8
(Homo sapiens (Human)) | BDBM50391614
(CHEMBL2147941)Show SMILES COC(=O)[C@H](Cc1ccc(OCCc2ccccc2)cc1)NS(=O)(=O)c1ccc(C)cc1 |r| Show InChI InChI=1S/C25H27NO5S/c1-19-8-14-23(15-9-19)32(28,29)26-24(25(27)30-2)18-21-10-12-22(13-11-21)31-17-16-20-6-4-3-5-7-20/h3-15,24,26H,16-18H2,1-2H3/t24-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 9.62E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Tianjin Medical University
Curated by ChEMBL
| Assay Description
Inhibition of HDAC8 after 45 mins by microplate fluorometric analysis |
Bioorg Med Chem 20: 5738-44 (2012)
Article DOI: 10.1016/j.bmc.2012.08.014
BindingDB Entry DOI: 10.7270/Q2988849 |
More data for this
Ligand-Target Pair | |
Histone deacetylase 8
(Homo sapiens (Human)) | BDBM50391638
(CHEMBL2147938)Show SMILES COC(=O)[C@H](Cc1ccc(OCCc2ccccc2)cc1)NC(=O)c1ccc(C)cc1 |r| Show InChI InChI=1S/C26H27NO4/c1-19-8-12-22(13-9-19)25(28)27-24(26(29)30-2)18-21-10-14-23(15-11-21)31-17-16-20-6-4-3-5-7-20/h3-15,24H,16-18H2,1-2H3,(H,27,28)/t24-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
Tianjin Medical University
Curated by ChEMBL
| Assay Description
Inhibition of HDAC8 after 45 mins by microplate fluorometric analysis |
Bioorg Med Chem 20: 5738-44 (2012)
Article DOI: 10.1016/j.bmc.2012.08.014
BindingDB Entry DOI: 10.7270/Q2988849 |
More data for this
Ligand-Target Pair | |
Histone deacetylase 8
(Homo sapiens (Human)) | BDBM50391639
(CHEMBL2147937)Show SMILES COC(=O)[C@H](Cc1ccc(OCCc2ccccc2)cc1)NC(=O)c1ccccc1 |r| Show InChI InChI=1S/C25H25NO4/c1-29-25(28)23(26-24(27)21-10-6-3-7-11-21)18-20-12-14-22(15-13-20)30-17-16-19-8-4-2-5-9-19/h2-15,23H,16-18H2,1H3,(H,26,27)/t23-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
Tianjin Medical University
Curated by ChEMBL
| Assay Description
Inhibition of HDAC8 after 45 mins by microplate fluorometric analysis |
Bioorg Med Chem 20: 5738-44 (2012)
Article DOI: 10.1016/j.bmc.2012.08.014
BindingDB Entry DOI: 10.7270/Q2988849 |
More data for this
Ligand-Target Pair | |
Histone deacetylase 8
(Homo sapiens (Human)) | BDBM50391633
(CHEMBL2147932)Show SMILES COC(=O)[C@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)c1ccccc1 |r| Show InChI InChI=1S/C24H23NO4/c1-28-24(27)22(25-23(26)20-10-6-3-7-11-20)16-18-12-14-21(15-13-18)29-17-19-8-4-2-5-9-19/h2-15,22H,16-17H2,1H3,(H,25,26)/t22-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
Tianjin Medical University
Curated by ChEMBL
| Assay Description
Inhibition of HDAC8 after 45 mins by microplate fluorometric analysis |
Bioorg Med Chem 20: 5738-44 (2012)
Article DOI: 10.1016/j.bmc.2012.08.014
BindingDB Entry DOI: 10.7270/Q2988849 |
More data for this
Ligand-Target Pair | |
Histone deacetylase 8
(Homo sapiens (Human)) | BDBM50391617
(CHEMBL2147940)Show SMILES COC(=O)[C@H](Cc1ccc(OCCc2ccccc2)cc1)NS(C)(=O)=O |r| Show InChI InChI=1S/C19H23NO5S/c1-24-19(21)18(20-26(2,22)23)14-16-8-10-17(11-9-16)25-13-12-15-6-4-3-5-7-15/h3-11,18,20H,12-14H2,1-2H3/t18-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
Tianjin Medical University
Curated by ChEMBL
| Assay Description
Inhibition of HDAC8 after 45 mins by microplate fluorometric analysis |
Bioorg Med Chem 20: 5738-44 (2012)
Article DOI: 10.1016/j.bmc.2012.08.014
BindingDB Entry DOI: 10.7270/Q2988849 |
More data for this
Ligand-Target Pair | |
Histone deacetylase 8
(Homo sapiens (Human)) | BDBM50391629
(CHEMBL2147951)Show SMILES Cc1ccc(cc1)S(=O)(=O)N[C@@H](Cc1ccc(OCCc2ccccc2)cc1)C(O)=O |r| Show InChI InChI=1S/C24H25NO5S/c1-18-7-13-22(14-8-18)31(28,29)25-23(24(26)27)17-20-9-11-21(12-10-20)30-16-15-19-5-3-2-4-6-19/h2-14,23,25H,15-17H2,1H3,(H,26,27)/t23-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
Tianjin Medical University
Curated by ChEMBL
| Assay Description
Inhibition of HDAC8 after 45 mins by microplate fluorometric analysis |
Bioorg Med Chem 20: 5738-44 (2012)
Article DOI: 10.1016/j.bmc.2012.08.014
BindingDB Entry DOI: 10.7270/Q2988849 |
More data for this
Ligand-Target Pair | |
Histone deacetylase 8
(Homo sapiens (Human)) | BDBM50391616
(CHEMBL2147933)Show SMILES COC(=O)[C@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)c1ccc(C)cc1 |r| Show InChI InChI=1S/C25H25NO4/c1-18-8-12-21(13-9-18)24(27)26-23(25(28)29-2)16-19-10-14-22(15-11-19)30-17-20-6-4-3-5-7-20/h3-15,23H,16-17H2,1-2H3,(H,26,27)/t23-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
Tianjin Medical University
Curated by ChEMBL
| Assay Description
Inhibition of HDAC8 after 45 mins by microplate fluorometric analysis |
Bioorg Med Chem 20: 5738-44 (2012)
Article DOI: 10.1016/j.bmc.2012.08.014
BindingDB Entry DOI: 10.7270/Q2988849 |
More data for this
Ligand-Target Pair | |
Histone deacetylase 8
(Homo sapiens (Human)) | BDBM50391637
(CHEMBL2147943)Show SMILES Cc1ccc(cc1)C(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(O)=O |r| Show InChI InChI=1S/C24H23NO4/c1-17-7-11-20(12-8-17)23(26)25-22(24(27)28)15-18-9-13-21(14-10-18)29-16-19-5-3-2-4-6-19/h2-14,22H,15-16H2,1H3,(H,25,26)(H,27,28)/t22-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
Tianjin Medical University
Curated by ChEMBL
| Assay Description
Inhibition of HDAC8 after 45 mins by microplate fluorometric analysis |
Bioorg Med Chem 20: 5738-44 (2012)
Article DOI: 10.1016/j.bmc.2012.08.014
BindingDB Entry DOI: 10.7270/Q2988849 |
More data for this
Ligand-Target Pair | |
Histone deacetylase 8
(Homo sapiens (Human)) | BDBM50391615
(CHEMBL2147936)Show SMILES COC(=O)[C@H](Cc1ccc(OCc2ccccc2)cc1)NS(=O)(=O)c1ccc(C)cc1 |r| Show InChI InChI=1S/C24H25NO5S/c1-18-8-14-22(15-9-18)31(27,28)25-23(24(26)29-2)16-19-10-12-21(13-11-19)30-17-20-6-4-3-5-7-20/h3-15,23,25H,16-17H2,1-2H3/t23-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
Tianjin Medical University
Curated by ChEMBL
| Assay Description
Inhibition of HDAC8 after 45 mins by microplate fluorometric analysis |
Bioorg Med Chem 20: 5738-44 (2012)
Article DOI: 10.1016/j.bmc.2012.08.014
BindingDB Entry DOI: 10.7270/Q2988849 |
More data for this
Ligand-Target Pair | |
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