Found 51 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 |
|---|
Macrophage metalloelastase
(Homo sapiens (Human)) | BDBM50437788
(CHEMBL2409699)Show SMILES CCOc1ccc(OC2CCN(CC2)S(=O)(=O)C[C@@]2(C)NC(=O)NC2=O)cc1 |r| Show InChI InChI=1S/C18H25N3O6S/c1-3-26-13-4-6-14(7-5-13)27-15-8-10-21(11-9-15)28(24,25)12-18(2)16(22)19-17(23)20-18/h4-7,15H,3,8-12H2,1-2H3,(H2,19,20,22,23)/t18-/m1/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 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of MMP-12 (unknown origin) by fluorescence assay |
Bioorg Med Chem Lett 23: 4705-12 (2013)
Article DOI: 10.1016/j.bmcl.2013.05.089
BindingDB Entry DOI: 10.7270/Q2WS8VNH |
More data for this
Ligand-Target Pair | |
Macrophage metalloelastase
(Homo sapiens (Human)) | BDBM50437787
(CHEMBL2409700)Show SMILES C[C@]1(CS(=O)(=O)N2CCC(CC2)Oc2ccc(OC(F)(F)F)cc2)NC(=O)NC1=O |r| Show InChI InChI=1S/C17H20F3N3O6S/c1-16(14(24)21-15(25)22-16)10-30(26,27)23-8-6-12(7-9-23)28-11-2-4-13(5-3-11)29-17(18,19)20/h2-5,12H,6-10H2,1H3,(H2,21,22,24,25)/t16-/m1/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 | 3.30 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of MMP-12 (unknown origin) by fluorescence assay |
Bioorg Med Chem Lett 23: 4705-12 (2013)
Article DOI: 10.1016/j.bmcl.2013.05.089
BindingDB Entry DOI: 10.7270/Q2WS8VNH |
More data for this
Ligand-Target Pair | |
Macrophage metalloelastase
(Homo sapiens (Human)) | BDBM50437791
(CHEMBL2409710)Show SMILES C[C@]1(CS(=O)(=O)N2CCC(CC2)Oc2ccc(cc2)C(F)(F)F)NC(=O)NC1=O |r| Show InChI InChI=1S/C17H20F3N3O5S/c1-16(14(24)21-15(25)22-16)10-29(26,27)23-8-6-13(7-9-23)28-12-4-2-11(3-5-12)17(18,19)20/h2-5,13H,6-10H2,1H3,(H2,21,22,24,25)/t16-/m1/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 | 5.90 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of MMP-12 (unknown origin) by fluorescence assay |
Bioorg Med Chem Lett 23: 4705-12 (2013)
Article DOI: 10.1016/j.bmcl.2013.05.089
BindingDB Entry DOI: 10.7270/Q2WS8VNH |
More data for this
Ligand-Target Pair | |
Macrophage metalloelastase
(Homo sapiens (Human)) | BDBM50437790
(CHEMBL2409711)Show SMILES C[C@]1(CS(=O)(=O)N2CCC(CC2)Oc2ccc(Cl)cc2)NC(=O)NC1=O |r| Show InChI InChI=1S/C16H20ClN3O5S/c1-16(14(21)18-15(22)19-16)10-26(23,24)20-8-6-13(7-9-20)25-12-4-2-11(17)3-5-12/h2-5,13H,6-10H2,1H3,(H2,18,19,21,22)/t16-/m1/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 | 8.90 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of MMP-12 (unknown origin) by fluorescence assay |
Bioorg Med Chem Lett 23: 4705-12 (2013)
Article DOI: 10.1016/j.bmcl.2013.05.089
BindingDB Entry DOI: 10.7270/Q2WS8VNH |
More data for this
Ligand-Target Pair | |
Macrophage metalloelastase
(Homo sapiens (Human)) | BDBM50437789
(CHEMBL2409698)Show SMILES C[C@]1(CS(=O)(=O)N2CCC(CC2)Oc2ccc(F)cc2)NC(=O)NC1=O |r| Show InChI InChI=1S/C16H20FN3O5S/c1-16(14(21)18-15(22)19-16)10-26(23,24)20-8-6-13(7-9-20)25-12-4-2-11(17)3-5-12/h2-5,13H,6-10H2,1H3,(H2,18,19,21,22)/t16-/m1/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 | 24 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of MMP-12 (unknown origin) by fluorescence assay |
Bioorg Med Chem Lett 23: 4705-12 (2013)
Article DOI: 10.1016/j.bmcl.2013.05.089
BindingDB Entry DOI: 10.7270/Q2WS8VNH |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-14
(Homo sapiens (Human)) | BDBM50437778
(CHEMBL2409683)Show SMILES C[C@]1(CS(=O)(=O)N2CCC(CC2)Oc2ccc(OCc3ccc(cc3)S(C)(=O)=O)cc2)NC(=O)NC1=O |r| Show InChI InChI=1S/C24H29N3O8S2/c1-24(22(28)25-23(29)26-24)16-37(32,33)27-13-11-20(12-14-27)35-19-7-5-18(6-8-19)34-15-17-3-9-21(10-4-17)36(2,30)31/h3-10,20H,11-16H2,1-2H3,(H2,25,26,28,29)/t24-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 62 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant MMP-14 using Mca-Pro-Leu-Ala-Nva-Dpa-Ala-Arg-NH2 as substrate after 20 hrs by fluorescence assay |
Bioorg Med Chem Lett 23: 4705-12 (2013)
Article DOI: 10.1016/j.bmcl.2013.05.089
BindingDB Entry DOI: 10.7270/Q2WS8VNH |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-14
(Homo sapiens (Human)) | BDBM50437777
(CHEMBL2409684)Show SMILES C[C@]1(CS(=O)(=O)N2CCC(CC2)Oc2ccc(OCc3ccc(cc3)C#N)cc2)NC(=O)NC1=O |r| Show InChI InChI=1S/C24H26N4O6S/c1-24(22(29)26-23(30)27-24)16-35(31,32)28-12-10-21(11-13-28)34-20-8-6-19(7-9-20)33-15-18-4-2-17(14-25)3-5-18/h2-9,21H,10-13,15-16H2,1H3,(H2,26,27,29,30)/t24-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 116 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant MMP-14 using Mca-Pro-Leu-Ala-Nva-Dpa-Ala-Arg-NH2 as substrate after 20 hrs by fluorescence assay |
Bioorg Med Chem Lett 23: 4705-12 (2013)
Article DOI: 10.1016/j.bmcl.2013.05.089
BindingDB Entry DOI: 10.7270/Q2WS8VNH |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-14
(Homo sapiens (Human)) | BDBM50437768
(CHEMBL2409693)Show SMILES C[C@]1(CS(=O)(=O)N2CCC(CC2)Oc2ccc(OCc3cnsn3)cc2)NC(=O)NC1=O |r| Show InChI InChI=1S/C19H23N5O6S2/c1-19(17(25)21-18(26)22-19)12-32(27,28)24-8-6-16(7-9-24)30-15-4-2-14(3-5-15)29-11-13-10-20-31-23-13/h2-5,10,16H,6-9,11-12H2,1H3,(H2,21,22,25,26)/t19-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 350 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant MMP-14 using Mca-Pro-Leu-Ala-Nva-Dpa-Ala-Arg-NH2 as substrate after 20 hrs by fluorescence assay |
Bioorg Med Chem Lett 23: 4705-12 (2013)
Article DOI: 10.1016/j.bmcl.2013.05.089
BindingDB Entry DOI: 10.7270/Q2WS8VNH |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-14
(Homo sapiens (Human)) | BDBM50437772
(CHEMBL2409689)Show SMILES C[C@]1(CS(=O)(=O)N2CCC(CC2)Oc2ccc(OCc3ccncc3)cc2)NC(=O)NC1=O |r| Show InChI InChI=1S/C22H26N4O6S/c1-22(20(27)24-21(28)25-22)15-33(29,30)26-12-8-19(9-13-26)32-18-4-2-17(3-5-18)31-14-16-6-10-23-11-7-16/h2-7,10-11,19H,8-9,12-15H2,1H3,(H2,24,25,27,28)/t22-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 450 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant MMP-14 using Mca-Pro-Leu-Ala-Nva-Dpa-Ala-Arg-NH2 as substrate after 20 hrs by fluorescence assay |
Bioorg Med Chem Lett 23: 4705-12 (2013)
Article DOI: 10.1016/j.bmcl.2013.05.089
BindingDB Entry DOI: 10.7270/Q2WS8VNH |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-14
(Homo sapiens (Human)) | BDBM50437783
(CHEMBL2409706)Show SMILES C[C@]1(CS(=O)(=O)N2CCC(CC2)Oc2ccc(OCC(F)(F)C(F)F)cc2)NC(=O)NC1=O |r| Show InChI InChI=1S/C19H23F4N3O6S/c1-18(16(27)24-17(28)25-18)11-33(29,30)26-8-6-14(7-9-26)32-13-4-2-12(3-5-13)31-10-19(22,23)15(20)21/h2-5,14-15H,6-11H2,1H3,(H2,24,25,27,28)/t18-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 553 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant MMP-14 using Mca-Pro-Leu-Ala-Nva-Dpa-Ala-Arg-NH2 as substrate after 20 hrs by fluorescence assay |
Bioorg Med Chem Lett 23: 4705-12 (2013)
Article DOI: 10.1016/j.bmcl.2013.05.089
BindingDB Entry DOI: 10.7270/Q2WS8VNH |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-14
(Homo sapiens (Human)) | BDBM50437779
(CHEMBL2409682)Show SMILES C[C@]1(CS(=O)(=O)N2CCC(CC2)Oc2ccc(OCc3ccccc3)cc2)NC(=O)NC1=O |r| Show InChI InChI=1S/C23H27N3O6S/c1-23(21(27)24-22(28)25-23)16-33(29,30)26-13-11-20(12-14-26)32-19-9-7-18(8-10-19)31-15-17-5-3-2-4-6-17/h2-10,20H,11-16H2,1H3,(H2,24,25,27,28)/t23-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 671 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant MMP-14 using Mca-Pro-Leu-Ala-Nva-Dpa-Ala-Arg-NH2 as substrate after 20 hrs by fluorescence assay |
Bioorg Med Chem Lett 23: 4705-12 (2013)
Article DOI: 10.1016/j.bmcl.2013.05.089
BindingDB Entry DOI: 10.7270/Q2WS8VNH |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-14
(Homo sapiens (Human)) | BDBM50437773
(CHEMBL2409688)Show SMILES C[C@]1(CS(=O)(=O)N2CCC(CC2)Oc2ccc(OCc3cccc(F)c3)cc2)NC(=O)NC1=O |r| Show InChI InChI=1S/C23H26FN3O6S/c1-23(21(28)25-22(29)26-23)15-34(30,31)27-11-9-20(10-12-27)33-19-7-5-18(6-8-19)32-14-16-3-2-4-17(24)13-16/h2-8,13,20H,9-12,14-15H2,1H3,(H2,25,26,28,29)/t23-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 764 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant MMP-14 using Mca-Pro-Leu-Ala-Nva-Dpa-Ala-Arg-NH2 as substrate after 20 hrs by fluorescence assay |
Bioorg Med Chem Lett 23: 4705-12 (2013)
Article DOI: 10.1016/j.bmcl.2013.05.089
BindingDB Entry DOI: 10.7270/Q2WS8VNH |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-14
(Homo sapiens (Human)) | BDBM50437776
(CHEMBL2409685)Show SMILES C[C@]1(CS(=O)(=O)N2CCC(CC2)Oc2ccc(OCc3cccc(c3)C#N)cc2)NC(=O)NC1=O |r| Show InChI InChI=1S/C24H26N4O6S/c1-24(22(29)26-23(30)27-24)16-35(31,32)28-11-9-21(10-12-28)34-20-7-5-19(6-8-20)33-15-18-4-2-3-17(13-18)14-25/h2-8,13,21H,9-12,15-16H2,1H3,(H2,26,27,29,30)/t24-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 915 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant MMP-14 using Mca-Pro-Leu-Ala-Nva-Dpa-Ala-Arg-NH2 as substrate after 20 hrs by fluorescence assay |
Bioorg Med Chem Lett 23: 4705-12 (2013)
Article DOI: 10.1016/j.bmcl.2013.05.089
BindingDB Entry DOI: 10.7270/Q2WS8VNH |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-14
(Homo sapiens (Human)) | BDBM50437775
(CHEMBL2409686)Show SMILES COc1ccc(COc2ccc(OC3CCN(CC3)S(=O)(=O)C[C@@]3(C)NC(=O)NC3=O)cc2)cc1 |r| Show InChI InChI=1S/C24H29N3O7S/c1-24(22(28)25-23(29)26-24)16-35(30,31)27-13-11-21(12-14-27)34-20-9-7-19(8-10-20)33-15-17-3-5-18(32-2)6-4-17/h3-10,21H,11-16H2,1-2H3,(H2,25,26,28,29)/t24-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.08E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant MMP-14 using Mca-Pro-Leu-Ala-Nva-Dpa-Ala-Arg-NH2 as substrate after 20 hrs by fluorescence assay |
Bioorg Med Chem Lett 23: 4705-12 (2013)
Article DOI: 10.1016/j.bmcl.2013.05.089
BindingDB Entry DOI: 10.7270/Q2WS8VNH |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-14
(Homo sapiens (Human)) | BDBM50437771
(CHEMBL2409690)Show SMILES C[C@]1(CS(=O)(=O)N2CCC(CC2)Oc2ccc(OCc3cccnc3)cc2)NC(=O)NC1=O |r| Show InChI InChI=1S/C22H26N4O6S/c1-22(20(27)24-21(28)25-22)15-33(29,30)26-11-8-19(9-12-26)32-18-6-4-17(5-7-18)31-14-16-3-2-10-23-13-16/h2-7,10,13,19H,8-9,11-12,14-15H2,1H3,(H2,24,25,27,28)/t22-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.28E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant MMP-14 using Mca-Pro-Leu-Ala-Nva-Dpa-Ala-Arg-NH2 as substrate after 20 hrs by fluorescence assay |
Bioorg Med Chem Lett 23: 4705-12 (2013)
Article DOI: 10.1016/j.bmcl.2013.05.089
BindingDB Entry DOI: 10.7270/Q2WS8VNH |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-14
(Homo sapiens (Human)) | BDBM50437767
(CHEMBL2409694)Show SMILES C[C@]1(CS(=O)(=O)N2CCC(CC2)Oc2ccc(OCc3ccc(o3)C(F)(F)F)cc2)NC(=O)NC1=O |r| Show InChI InChI=1S/C22H24F3N3O7S/c1-21(19(29)26-20(30)27-21)13-36(31,32)28-10-8-16(9-11-28)34-15-4-2-14(3-5-15)33-12-17-6-7-18(35-17)22(23,24)25/h2-7,16H,8-13H2,1H3,(H2,26,27,29,30)/t21-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.86E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant MMP-14 using Mca-Pro-Leu-Ala-Nva-Dpa-Ala-Arg-NH2 as substrate after 20 hrs by fluorescence assay |
Bioorg Med Chem Lett 23: 4705-12 (2013)
Article DOI: 10.1016/j.bmcl.2013.05.089
BindingDB Entry DOI: 10.7270/Q2WS8VNH |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-14
(Homo sapiens (Human)) | BDBM50437786
(CHEMBL2409702)Show SMILES C[C@]1(CS(=O)(=O)N2CCC(CC2)Oc2ccc(OCC(F)(F)F)cc2)NC(=O)NC1=O |r| Show InChI InChI=1S/C18H22F3N3O6S/c1-17(15(25)22-16(26)23-17)11-31(27,28)24-8-6-14(7-9-24)30-13-4-2-12(3-5-13)29-10-18(19,20)21/h2-5,14H,6-11H2,1H3,(H2,22,23,25,26)/t17-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.95E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant MMP-14 using Mca-Pro-Leu-Ala-Nva-Dpa-Ala-Arg-NH2 as substrate after 20 hrs by fluorescence assay |
Bioorg Med Chem Lett 23: 4705-12 (2013)
Article DOI: 10.1016/j.bmcl.2013.05.089
BindingDB Entry DOI: 10.7270/Q2WS8VNH |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-14
(Homo sapiens (Human)) | BDBM50437782
(CHEMBL2409707)Show SMILES C[C@]1(CS(=O)(=O)N2CCC(CC2)Oc2ccc(OC(F)(F)C(F)F)cc2)NC(=O)NC1=O |r| Show InChI InChI=1S/C18H21F4N3O6S/c1-17(15(26)23-16(27)24-17)10-32(28,29)25-8-6-12(7-9-25)30-11-2-4-13(5-3-11)31-18(21,22)14(19)20/h2-5,12,14H,6-10H2,1H3,(H2,23,24,26,27)/t17-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.22E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant MMP-14 using Mca-Pro-Leu-Ala-Nva-Dpa-Ala-Arg-NH2 as substrate after 20 hrs by fluorescence assay |
Bioorg Med Chem Lett 23: 4705-12 (2013)
Article DOI: 10.1016/j.bmcl.2013.05.089
BindingDB Entry DOI: 10.7270/Q2WS8VNH |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-14
(Homo sapiens (Human)) | BDBM50437788
(CHEMBL2409699)Show SMILES CCOc1ccc(OC2CCN(CC2)S(=O)(=O)C[C@@]2(C)NC(=O)NC2=O)cc1 |r| Show InChI InChI=1S/C18H25N3O6S/c1-3-26-13-4-6-14(7-5-13)27-15-8-10-21(11-9-15)28(24,25)12-18(2)16(22)19-17(23)20-18/h4-7,15H,3,8-12H2,1-2H3,(H2,19,20,22,23)/t18-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.82E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant MMP-14 using Mca-Pro-Leu-Ala-Nva-Dpa-Ala-Arg-NH2 as substrate after 20 hrs by fluorescence assay |
Bioorg Med Chem Lett 23: 4705-12 (2013)
Article DOI: 10.1016/j.bmcl.2013.05.089
BindingDB Entry DOI: 10.7270/Q2WS8VNH |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-14
(Homo sapiens (Human)) | BDBM50437785
(CHEMBL2409704)Show SMILES C[C@]1(CS(=O)(=O)N2CCC(CC2)Oc2ccc(OCCC(F)(F)F)cc2)NC(=O)NC1=O |r| Show InChI InChI=1S/C19H24F3N3O6S/c1-18(16(26)23-17(27)24-18)12-32(28,29)25-9-6-15(7-10-25)31-14-4-2-13(3-5-14)30-11-8-19(20,21)22/h2-5,15H,6-12H2,1H3,(H2,23,24,26,27)/t18-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.12E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant MMP-14 using Mca-Pro-Leu-Ala-Nva-Dpa-Ala-Arg-NH2 as substrate after 20 hrs by fluorescence assay |
Bioorg Med Chem Lett 23: 4705-12 (2013)
Article DOI: 10.1016/j.bmcl.2013.05.089
BindingDB Entry DOI: 10.7270/Q2WS8VNH |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-14
(Homo sapiens (Human)) | BDBM50437769
(CHEMBL2409692)Show SMILES C[C@]1(CS(=O)(=O)N2CCC(CC2)Oc2ccc(OCc3cscn3)cc2)NC(=O)NC1=O |r| Show InChI InChI=1S/C20H24N4O6S2/c1-20(18(25)22-19(26)23-20)12-32(27,28)24-8-6-17(7-9-24)30-16-4-2-15(3-5-16)29-10-14-11-31-13-21-14/h2-5,11,13,17H,6-10,12H2,1H3,(H2,22,23,25,26)/t20-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.09E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant MMP-14 using Mca-Pro-Leu-Ala-Nva-Dpa-Ala-Arg-NH2 as substrate after 20 hrs by fluorescence assay |
Bioorg Med Chem Lett 23: 4705-12 (2013)
Article DOI: 10.1016/j.bmcl.2013.05.089
BindingDB Entry DOI: 10.7270/Q2WS8VNH |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-14
(Homo sapiens (Human)) | BDBM50437784
(CHEMBL2409705)Show SMILES C[C@]1(CS(=O)(=O)N2CCC(CC2)Oc2ccc(OCC(F)(F)C(F)(F)F)cc2)NC(=O)NC1=O |r| Show InChI InChI=1S/C19H22F5N3O6S/c1-17(15(28)25-16(29)26-17)11-34(30,31)27-8-6-14(7-9-27)33-13-4-2-12(3-5-13)32-10-18(20,21)19(22,23)24/h2-5,14H,6-11H2,1H3,(H2,25,26,28,29)/t17-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.74E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant MMP-14 using Mca-Pro-Leu-Ala-Nva-Dpa-Ala-Arg-NH2 as substrate after 20 hrs by fluorescence assay |
Bioorg Med Chem Lett 23: 4705-12 (2013)
Article DOI: 10.1016/j.bmcl.2013.05.089
BindingDB Entry DOI: 10.7270/Q2WS8VNH |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-14
(Homo sapiens (Human)) | BDBM50437770
(CHEMBL2409691)Show SMILES C[C@]1(CS(=O)(=O)N2CCC(CC2)Oc2ccc(OCc3ccccn3)cc2)NC(=O)NC1=O |r| Show InChI InChI=1S/C22H26N4O6S/c1-22(20(27)24-21(28)25-22)15-33(29,30)26-12-9-19(10-13-26)32-18-7-5-17(6-8-18)31-14-16-4-2-3-11-23-16/h2-8,11,19H,9-10,12-15H2,1H3,(H2,24,25,27,28)/t22-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant MMP-14 using Mca-Pro-Leu-Ala-Nva-Dpa-Ala-Arg-NH2 as substrate after 20 hrs by fluorescence assay |
Bioorg Med Chem Lett 23: 4705-12 (2013)
Article DOI: 10.1016/j.bmcl.2013.05.089
BindingDB Entry DOI: 10.7270/Q2WS8VNH |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-14
(Homo sapiens (Human)) | BDBM50437774
(CHEMBL2409687)Show SMILES C[C@]1(CS(=O)(=O)N2CCC(CC2)Oc2ccc(OCc3ccc(F)cc3)cc2)NC(=O)NC1=O |r| Show InChI InChI=1S/C23H26FN3O6S/c1-23(21(28)25-22(29)26-23)15-34(30,31)27-12-10-20(11-13-27)33-19-8-6-18(7-9-19)32-14-16-2-4-17(24)5-3-16/h2-9,20H,10-15H2,1H3,(H2,25,26,28,29)/t23-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7.73E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant MMP-14 using Mca-Pro-Leu-Ala-Nva-Dpa-Ala-Arg-NH2 as substrate after 20 hrs by fluorescence assay |
Bioorg Med Chem Lett 23: 4705-12 (2013)
Article DOI: 10.1016/j.bmcl.2013.05.089
BindingDB Entry DOI: 10.7270/Q2WS8VNH |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-14
(Homo sapiens (Human)) | BDBM50437787
(CHEMBL2409700)Show SMILES C[C@]1(CS(=O)(=O)N2CCC(CC2)Oc2ccc(OC(F)(F)F)cc2)NC(=O)NC1=O |r| Show InChI InChI=1S/C17H20F3N3O6S/c1-16(14(24)21-15(25)22-16)10-30(26,27)23-8-6-12(7-9-23)28-11-2-4-13(5-3-11)29-17(18,19)20/h2-5,12H,6-10H2,1H3,(H2,21,22,24,25)/t16-/m1/s1 | PDB
UniProtKB/SwissProt
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 |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant MMP-14 using Mca-Pro-Leu-Ala-Nva-Dpa-Ala-Arg-NH2 as substrate after 20 hrs by fluorescence assay |
Bioorg Med Chem Lett 23: 4705-12 (2013)
Article DOI: 10.1016/j.bmcl.2013.05.089
BindingDB Entry DOI: 10.7270/Q2WS8VNH |
More data for this
Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50437770
(CHEMBL2409691)Show SMILES C[C@]1(CS(=O)(=O)N2CCC(CC2)Oc2ccc(OCc3ccccn3)cc2)NC(=O)NC1=O |r| Show InChI InChI=1S/C22H26N4O6S/c1-22(20(27)24-21(28)25-22)15-33(29,30)26-12-9-19(10-13-26)32-18-7-5-17(6-8-18)31-14-16-4-2-3-11-23-16/h2-8,11,19H,9-10,12-15H2,1H3,(H2,24,25,27,28)/t22-/m1/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 | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human CYP1A2 |
Bioorg Med Chem Lett 23: 4705-12 (2013)
Article DOI: 10.1016/j.bmcl.2013.05.089
BindingDB Entry DOI: 10.7270/Q2WS8VNH |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-14
(Homo sapiens (Human)) | BDBM50437764
(CHEMBL2409697)Show SMILES C[C@]1(CS(=O)(=O)N2CCN(CC2)c2ncc(OCc3ccc(cc3)S(C)(=O)=O)cn2)NC(=O)NC1=O |r| Show InChI InChI=1S/C21H26N6O7S2/c1-21(18(28)24-20(29)25-21)14-36(32,33)27-9-7-26(8-10-27)19-22-11-16(12-23-19)34-13-15-3-5-17(6-4-15)35(2,30)31/h3-6,11-12H,7-10,13-14H2,1-2H3,(H2,24,25,28,29)/t21-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant MMP-14 using Mca-Pro-Leu-Ala-Nva-Dpa-Ala-Arg-NH2 as substrate after 20 hrs by fluorescence assay |
Bioorg Med Chem Lett 23: 4705-12 (2013)
Article DOI: 10.1016/j.bmcl.2013.05.089
BindingDB Entry DOI: 10.7270/Q2WS8VNH |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50437782
(CHEMBL2409707)Show SMILES C[C@]1(CS(=O)(=O)N2CCC(CC2)Oc2ccc(OC(F)(F)C(F)F)cc2)NC(=O)NC1=O |r| Show InChI InChI=1S/C18H21F4N3O6S/c1-17(15(26)23-16(27)24-17)10-32(28,29)25-8-6-12(7-9-25)30-11-2-4-13(5-3-11)31-18(21,22)14(19)20/h2-5,12,14H,6-10H2,1H3,(H2,23,24,26,27)/t17-/m1/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 | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human CYP2C9 |
Bioorg Med Chem Lett 23: 4705-12 (2013)
Article DOI: 10.1016/j.bmcl.2013.05.089
BindingDB Entry DOI: 10.7270/Q2WS8VNH |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50437782
(CHEMBL2409707)Show SMILES C[C@]1(CS(=O)(=O)N2CCC(CC2)Oc2ccc(OC(F)(F)C(F)F)cc2)NC(=O)NC1=O |r| Show InChI InChI=1S/C18H21F4N3O6S/c1-17(15(26)23-16(27)24-17)10-32(28,29)25-8-6-12(7-9-25)30-11-2-4-13(5-3-11)31-18(21,22)14(19)20/h2-5,12,14H,6-10H2,1H3,(H2,23,24,26,27)/t17-/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human CYP2D6 |
Bioorg Med Chem Lett 23: 4705-12 (2013)
Article DOI: 10.1016/j.bmcl.2013.05.089
BindingDB Entry DOI: 10.7270/Q2WS8VNH |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50437770
(CHEMBL2409691)Show SMILES C[C@]1(CS(=O)(=O)N2CCC(CC2)Oc2ccc(OCc3ccccn3)cc2)NC(=O)NC1=O |r| Show InChI InChI=1S/C22H26N4O6S/c1-22(20(27)24-21(28)25-22)15-33(29,30)26-12-9-19(10-13-26)32-18-7-5-17(6-8-18)31-14-16-4-2-3-11-23-16/h2-8,11,19H,9-10,12-15H2,1H3,(H2,24,25,27,28)/t22-/m1/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 | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human CYP2C9 |
Bioorg Med Chem Lett 23: 4705-12 (2013)
Article DOI: 10.1016/j.bmcl.2013.05.089
BindingDB Entry DOI: 10.7270/Q2WS8VNH |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50437770
(CHEMBL2409691)Show SMILES C[C@]1(CS(=O)(=O)N2CCC(CC2)Oc2ccc(OCc3ccccn3)cc2)NC(=O)NC1=O |r| Show InChI InChI=1S/C22H26N4O6S/c1-22(20(27)24-21(28)25-22)15-33(29,30)26-12-9-19(10-13-26)32-18-7-5-17(6-8-18)31-14-16-4-2-3-11-23-16/h2-8,11,19H,9-10,12-15H2,1H3,(H2,24,25,27,28)/t22-/m1/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 | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human CYP2C19 |
Bioorg Med Chem Lett 23: 4705-12 (2013)
Article DOI: 10.1016/j.bmcl.2013.05.089
BindingDB Entry DOI: 10.7270/Q2WS8VNH |
More data for this
Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50437760
(CHEMBL2409676)Show SMILES C[C@]1(CS(=O)(=O)N2CCN(CC2)c2ncc(OCc3ccc(o3)C(F)(F)F)cn2)NC(=O)NC1=O |r| Show InChI InChI=1S/C19H21F3N6O6S/c1-18(15(29)25-17(30)26-18)11-35(31,32)28-6-4-27(5-7-28)16-23-8-13(9-24-16)33-10-12-2-3-14(34-12)19(20,21)22/h2-3,8-9H,4-7,10-11H2,1H3,(H2,25,26,29,30)/t18-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human CYP1A2 |
Bioorg Med Chem Lett 23: 4705-12 (2013)
Article DOI: 10.1016/j.bmcl.2013.05.089
BindingDB Entry DOI: 10.7270/Q2WS8VNH |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50437760
(CHEMBL2409676)Show SMILES C[C@]1(CS(=O)(=O)N2CCN(CC2)c2ncc(OCc3ccc(o3)C(F)(F)F)cn2)NC(=O)NC1=O |r| Show InChI InChI=1S/C19H21F3N6O6S/c1-18(15(29)25-17(30)26-18)11-35(31,32)28-6-4-27(5-7-28)16-23-8-13(9-24-16)33-10-12-2-3-14(34-12)19(20,21)22/h2-3,8-9H,4-7,10-11H2,1H3,(H2,25,26,29,30)/t18-/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human CYP2D6 |
Bioorg Med Chem Lett 23: 4705-12 (2013)
Article DOI: 10.1016/j.bmcl.2013.05.089
BindingDB Entry DOI: 10.7270/Q2WS8VNH |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-14
(Homo sapiens (Human)) | BDBM50437759
(CHEMBL2409677)Show SMILES C[C@]1(CS(=O)(=O)N2CCN(CC2)c2ncc(OCc3cnc(s3)C#N)cn2)NC(=O)NC1=O |r| Show InChI InChI=1S/C18H20N8O5S2/c1-18(15(27)23-17(28)24-18)11-33(29,30)26-4-2-25(3-5-26)16-21-7-12(8-22-16)31-10-13-9-20-14(6-19)32-13/h7-9H,2-5,10-11H2,1H3,(H2,23,24,27,28)/t18-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant MMP-14 using Mca-Pro-Leu-Ala-Nva-Dpa-Ala-Arg-NH2 as substrate after 20 hrs by fluorescence assay |
Bioorg Med Chem Lett 23: 4705-12 (2013)
Article DOI: 10.1016/j.bmcl.2013.05.089
BindingDB Entry DOI: 10.7270/Q2WS8VNH |
More data for this
Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50437782
(CHEMBL2409707)Show SMILES C[C@]1(CS(=O)(=O)N2CCC(CC2)Oc2ccc(OC(F)(F)C(F)F)cc2)NC(=O)NC1=O |r| Show InChI InChI=1S/C18H21F4N3O6S/c1-17(15(26)23-16(27)24-17)10-32(28,29)25-8-6-12(7-9-25)30-11-2-4-13(5-3-11)31-18(21,22)14(19)20/h2-5,12,14H,6-10H2,1H3,(H2,23,24,26,27)/t17-/m1/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 | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human CYP1A2 |
Bioorg Med Chem Lett 23: 4705-12 (2013)
Article DOI: 10.1016/j.bmcl.2013.05.089
BindingDB Entry DOI: 10.7270/Q2WS8VNH |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50437760
(CHEMBL2409676)Show SMILES C[C@]1(CS(=O)(=O)N2CCN(CC2)c2ncc(OCc3ccc(o3)C(F)(F)F)cn2)NC(=O)NC1=O |r| Show InChI InChI=1S/C19H21F3N6O6S/c1-18(15(29)25-17(30)26-18)11-35(31,32)28-6-4-27(5-7-28)16-23-8-13(9-24-16)33-10-12-2-3-14(34-12)19(20,21)22/h2-3,8-9H,4-7,10-11H2,1H3,(H2,25,26,29,30)/t18-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human CYP2C19 |
Bioorg Med Chem Lett 23: 4705-12 (2013)
Article DOI: 10.1016/j.bmcl.2013.05.089
BindingDB Entry DOI: 10.7270/Q2WS8VNH |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-14
(Homo sapiens (Human)) | BDBM50437780
(CHEMBL2409678)Show SMILES CCCOc1ccc(OC2CCN(CC2)S(=O)(=O)C[C@@]2(C)NC(=O)NC2=O)cc1 |r| Show InChI InChI=1S/C19H27N3O6S/c1-3-12-27-14-4-6-15(7-5-14)28-16-8-10-22(11-9-16)29(25,26)13-19(2)17(23)20-18(24)21-19/h4-7,16H,3,8-13H2,1-2H3,(H2,20,21,23,24)/t19-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant MMP-14 using Mca-Pro-Leu-Ala-Nva-Dpa-Ala-Arg-NH2 as substrate after 20 hrs by fluorescence assay |
Bioorg Med Chem Lett 23: 4705-12 (2013)
Article DOI: 10.1016/j.bmcl.2013.05.089
BindingDB Entry DOI: 10.7270/Q2WS8VNH |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-14
(Homo sapiens (Human)) | BDBM50437762
(CHEMBL2407117)Show SMILES C[C@]1(CS(=O)(=O)N2CCN(CC2)c2ncc(OCc3cc(no3)C(F)(F)F)cn2)NC(=O)NC1=O |r| Show InChI InChI=1S/C18H20F3N7O6S/c1-17(14(29)24-16(30)25-17)10-35(31,32)28-4-2-27(3-5-28)15-22-7-12(8-23-15)33-9-11-6-13(26-34-11)18(19,20)21/h6-8H,2-5,9-10H2,1H3,(H2,24,25,29,30)/t17-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant MMP-14 using Mca-Pro-Leu-Ala-Nva-Dpa-Ala-Arg-NH2 as substrate after 20 hrs by fluorescence assay |
Bioorg Med Chem Lett 23: 4705-12 (2013)
Article DOI: 10.1016/j.bmcl.2013.05.089
BindingDB Entry DOI: 10.7270/Q2WS8VNH |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50437782
(CHEMBL2409707)Show SMILES C[C@]1(CS(=O)(=O)N2CCC(CC2)Oc2ccc(OC(F)(F)C(F)F)cc2)NC(=O)NC1=O |r| Show InChI InChI=1S/C18H21F4N3O6S/c1-17(15(26)23-16(27)24-17)10-32(28,29)25-8-6-12(7-9-25)30-11-2-4-13(5-3-11)31-18(21,22)14(19)20/h2-5,12,14H,6-10H2,1H3,(H2,23,24,26,27)/t17-/m1/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 | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human CYP2C19 |
Bioorg Med Chem Lett 23: 4705-12 (2013)
Article DOI: 10.1016/j.bmcl.2013.05.089
BindingDB Entry DOI: 10.7270/Q2WS8VNH |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-14
(Homo sapiens (Human)) | BDBM50437781
(CHEMBL2409708)Show SMILES C[C@]1(CS(=O)(=O)N2CCC(CC2)Oc2ccc(OC(F)(F)C(F)(F)F)cc2)NC(=O)NC1=O |r| Show InChI InChI=1S/C18H20F5N3O6S/c1-16(14(27)24-15(28)25-16)10-33(29,30)26-8-6-12(7-9-26)31-11-2-4-13(5-3-11)32-18(22,23)17(19,20)21/h2-5,12H,6-10H2,1H3,(H2,24,25,27,28)/t16-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant MMP-14 using Mca-Pro-Leu-Ala-Nva-Dpa-Ala-Arg-NH2 as substrate after 20 hrs by fluorescence assay |
Bioorg Med Chem Lett 23: 4705-12 (2013)
Article DOI: 10.1016/j.bmcl.2013.05.089
BindingDB Entry DOI: 10.7270/Q2WS8VNH |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50437760
(CHEMBL2409676)Show SMILES C[C@]1(CS(=O)(=O)N2CCN(CC2)c2ncc(OCc3ccc(o3)C(F)(F)F)cn2)NC(=O)NC1=O |r| Show InChI InChI=1S/C19H21F3N6O6S/c1-18(15(29)25-17(30)26-18)11-35(31,32)28-6-4-27(5-7-28)16-23-8-13(9-24-16)33-10-12-2-3-14(34-12)19(20,21)22/h2-3,8-9H,4-7,10-11H2,1H3,(H2,25,26,29,30)/t18-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human CYP2C9 |
Bioorg Med Chem Lett 23: 4705-12 (2013)
Article DOI: 10.1016/j.bmcl.2013.05.089
BindingDB Entry DOI: 10.7270/Q2WS8VNH |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50437770
(CHEMBL2409691)Show SMILES C[C@]1(CS(=O)(=O)N2CCC(CC2)Oc2ccc(OCc3ccccn3)cc2)NC(=O)NC1=O |r| Show InChI InChI=1S/C22H26N4O6S/c1-22(20(27)24-21(28)25-22)15-33(29,30)26-12-9-19(10-13-26)32-18-7-5-17(6-8-18)31-14-16-4-2-3-11-23-16/h2-8,11,19H,9-10,12-15H2,1H3,(H2,24,25,27,28)/t22-/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human CYP2D6 |
Bioorg Med Chem Lett 23: 4705-12 (2013)
Article DOI: 10.1016/j.bmcl.2013.05.089
BindingDB Entry DOI: 10.7270/Q2WS8VNH |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-14
(Homo sapiens (Human)) | BDBM50437760
(CHEMBL2409676)Show SMILES C[C@]1(CS(=O)(=O)N2CCN(CC2)c2ncc(OCc3ccc(o3)C(F)(F)F)cn2)NC(=O)NC1=O |r| Show InChI InChI=1S/C19H21F3N6O6S/c1-18(15(29)25-17(30)26-18)11-35(31,32)28-6-4-27(5-7-28)16-23-8-13(9-24-16)33-10-12-2-3-14(34-12)19(20,21)22/h2-3,8-9H,4-7,10-11H2,1H3,(H2,25,26,29,30)/t18-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.39E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant MMP-14 using Mca-Pro-Leu-Ala-Nva-Dpa-Ala-Arg-NH2 as substrate after 20 hrs by fluorescence assay |
Bioorg Med Chem Lett 23: 4705-12 (2013)
Article DOI: 10.1016/j.bmcl.2013.05.089
BindingDB Entry DOI: 10.7270/Q2WS8VNH |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50437791
(CHEMBL2409710)Show SMILES C[C@]1(CS(=O)(=O)N2CCC(CC2)Oc2ccc(cc2)C(F)(F)F)NC(=O)NC1=O |r| Show InChI InChI=1S/C17H20F3N3O5S/c1-16(14(24)21-15(25)22-16)10-29(26,27)23-8-6-13(7-9-23)28-12-4-2-11(3-5-12)17(18,19)20/h2-5,13H,6-10H2,1H3,(H2,21,22,24,25)/t16-/m1/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 | >4.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human CYP2C9 |
Bioorg Med Chem Lett 23: 4705-12 (2013)
Article DOI: 10.1016/j.bmcl.2013.05.089
BindingDB Entry DOI: 10.7270/Q2WS8VNH |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50437791
(CHEMBL2409710)Show SMILES C[C@]1(CS(=O)(=O)N2CCC(CC2)Oc2ccc(cc2)C(F)(F)F)NC(=O)NC1=O |r| Show InChI InChI=1S/C17H20F3N3O5S/c1-16(14(24)21-15(25)22-16)10-29(26,27)23-8-6-13(7-9-23)28-12-4-2-11(3-5-12)17(18,19)20/h2-5,13H,6-10H2,1H3,(H2,21,22,24,25)/t16-/m1/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 | >4.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human CYP2C19 |
Bioorg Med Chem Lett 23: 4705-12 (2013)
Article DOI: 10.1016/j.bmcl.2013.05.089
BindingDB Entry DOI: 10.7270/Q2WS8VNH |
More data for this
Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50437791
(CHEMBL2409710)Show SMILES C[C@]1(CS(=O)(=O)N2CCC(CC2)Oc2ccc(cc2)C(F)(F)F)NC(=O)NC1=O |r| Show InChI InChI=1S/C17H20F3N3O5S/c1-16(14(24)21-15(25)22-16)10-29(26,27)23-8-6-13(7-9-23)28-12-4-2-11(3-5-12)17(18,19)20/h2-5,13H,6-10H2,1H3,(H2,21,22,24,25)/t16-/m1/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 | >4.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human CYP1A2 |
Bioorg Med Chem Lett 23: 4705-12 (2013)
Article DOI: 10.1016/j.bmcl.2013.05.089
BindingDB Entry DOI: 10.7270/Q2WS8VNH |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50437791
(CHEMBL2409710)Show SMILES C[C@]1(CS(=O)(=O)N2CCC(CC2)Oc2ccc(cc2)C(F)(F)F)NC(=O)NC1=O |r| Show InChI InChI=1S/C17H20F3N3O5S/c1-16(14(24)21-15(25)22-16)10-29(26,27)23-8-6-13(7-9-23)28-12-4-2-11(3-5-12)17(18,19)20/h2-5,13H,6-10H2,1H3,(H2,21,22,24,25)/t16-/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >4.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human CYP2D6 |
Bioorg Med Chem Lett 23: 4705-12 (2013)
Article DOI: 10.1016/j.bmcl.2013.05.089
BindingDB Entry DOI: 10.7270/Q2WS8VNH |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-14
(Homo sapiens (Human)) | BDBM50437765
(CHEMBL2409696)Show SMILES C[C@]1(CS(=O)(=O)N2CCN(CC2)c2ncc(OCc3cccc(c3)C#N)cn2)NC(=O)NC1=O |r| Show InChI InChI=1S/C21H23N7O5S/c1-21(18(29)25-20(30)26-21)14-34(31,32)28-7-5-27(6-8-28)19-23-11-17(12-24-19)33-13-16-4-2-3-15(9-16)10-22/h2-4,9,11-12H,5-8,13-14H2,1H3,(H2,25,26,29,30)/t21-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.36E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant MMP-14 using Mca-Pro-Leu-Ala-Nva-Dpa-Ala-Arg-NH2 as substrate after 20 hrs by fluorescence assay |
Bioorg Med Chem Lett 23: 4705-12 (2013)
Article DOI: 10.1016/j.bmcl.2013.05.089
BindingDB Entry DOI: 10.7270/Q2WS8VNH |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-14
(Homo sapiens (Human)) | BDBM50437761
(CHEMBL2409675)Show SMILES CCc1cc(COc2cnc(nc2)N2CCN(CC2)S(=O)(=O)C[C@@]2(C)NC(=O)NC2=O)on1 |r| Show InChI InChI=1S/C19H25N7O6S/c1-3-13-8-14(32-24-13)11-31-15-9-20-17(21-10-15)25-4-6-26(7-5-25)33(29,30)12-19(2)16(27)22-18(28)23-19/h8-10H,3-7,11-12H2,1-2H3,(H2,22,23,27,28)/t19-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 9.89E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant MMP-14 using Mca-Pro-Leu-Ala-Nva-Dpa-Ala-Arg-NH2 as substrate after 20 hrs by fluorescence assay |
Bioorg Med Chem Lett 23: 4705-12 (2013)
Article DOI: 10.1016/j.bmcl.2013.05.089
BindingDB Entry DOI: 10.7270/Q2WS8VNH |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-14
(Homo sapiens (Human)) | BDBM50437766
(CHEMBL2409695)Show SMILES C[C@]1(CS(=O)(=O)N2CCN(CC2)c2ncc(OCc3ccc(F)cc3)cn2)NC(=O)NC1=O |r| Show InChI InChI=1S/C20H23FN6O5S/c1-20(17(28)24-19(29)25-20)13-33(30,31)27-8-6-26(7-9-27)18-22-10-16(11-23-18)32-12-14-2-4-15(21)5-3-14/h2-5,10-11H,6-9,12-13H2,1H3,(H2,24,25,28,29)/t20-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant MMP-14 using Mca-Pro-Leu-Ala-Nva-Dpa-Ala-Arg-NH2 as substrate after 20 hrs by fluorescence assay |
Bioorg Med Chem Lett 23: 4705-12 (2013)
Article DOI: 10.1016/j.bmcl.2013.05.089
BindingDB Entry DOI: 10.7270/Q2WS8VNH |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-14
(Homo sapiens (Human)) | BDBM50437763
(CHEMBL2409674)Show SMILES Cc1cc(COc2cnc(nc2)N2CCN(CC2)S(=O)(=O)C[C@@]2(C)NC(=O)NC2=O)on1 |r| Show InChI InChI=1S/C18H23N7O6S/c1-12-7-13(31-23-12)10-30-14-8-19-16(20-9-14)24-3-5-25(6-4-24)32(28,29)11-18(2)15(26)21-17(27)22-18/h7-9H,3-6,10-11H2,1-2H3,(H2,21,22,26,27)/t18-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant MMP-14 using Mca-Pro-Leu-Ala-Nva-Dpa-Ala-Arg-NH2 as substrate after 20 hrs by fluorescence assay |
Bioorg Med Chem Lett 23: 4705-12 (2013)
Article DOI: 10.1016/j.bmcl.2013.05.089
BindingDB Entry DOI: 10.7270/Q2WS8VNH |
More data for this
Ligand-Target Pair | |
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