Found 82 hits Enz. Inhib. hit(s) with all data for entry = 50034100 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 |
Collagenase 3
(Homo sapiens (Human)) | BDBM50357018
(CHEMBL1914483)Show SMILES CC(C)CCN([C@H](C(C)C)C(=O)NO)S(=O)(=O)c1ccc2OCCOc2c1 |r| Show InChI InChI=1S/C18H28N2O6S/c1-12(2)7-8-20(17(13(3)4)18(21)19-22)27(23,24)14-5-6-15-16(11-14)26-10-9-25-15/h5-6,11-13,17,22H,7-10H2,1-4H3,(H,19,21)/t17-/m1/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 | 0.0500 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description Inhibition of MMP13 |
Bioorg Med Chem Lett 21: 6440-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.08.087 BindingDB Entry DOI: 10.7270/Q2TQ61ZJ |
More data for this Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50357046
(CHEMBL1916834)Show SMILES CCc1ccc2cc(ccc2c1)S(=O)(=O)N(CCC(C)C)[C@H](C(C)C)C(=O)NO |r| Show InChI InChI=1S/C22H32N2O4S/c1-6-17-7-8-19-14-20(10-9-18(19)13-17)29(27,28)24(12-11-15(2)3)21(16(4)5)22(25)23-26/h7-10,13-16,21,26H,6,11-12H2,1-5H3,(H,23,25)/t21-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 0.300 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description Inhibition of MMP13 |
Bioorg Med Chem Lett 21: 6440-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.08.087 BindingDB Entry DOI: 10.7270/Q2TQ61ZJ |
More data for this Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50357017
(CHEMBL1916839)Show SMILES CC(C)CCN([C@H](C(C)C)C(=O)NO)S(=O)(=O)c1ccc2OCCc2c1 |r| Show InChI InChI=1S/C18H28N2O5S/c1-12(2)7-9-20(17(13(3)4)18(21)19-22)26(23,24)15-5-6-16-14(11-15)8-10-25-16/h5-6,11-13,17,22H,7-10H2,1-4H3,(H,19,21)/t17-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 0.600 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description Inhibition of MMP13 |
Bioorg Med Chem Lett 21: 6440-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.08.087 BindingDB Entry DOI: 10.7270/Q2TQ61ZJ |
More data for this Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50357029
(CHEMBL1916653)Show SMILES CC(C)CCN([C@H](CC(C)C)C(=O)NO)S(=O)(=O)c1ccc2ccccc2c1 |r| Show InChI InChI=1S/C21H30N2O4S/c1-15(2)11-12-23(20(13-16(3)4)21(24)22-25)28(26,27)19-10-9-17-7-5-6-8-18(17)14-19/h5-10,14-16,20,25H,11-13H2,1-4H3,(H,22,24)/t20-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 0.600 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description Inhibition of MMP13 |
Bioorg Med Chem Lett 21: 6440-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.08.087 BindingDB Entry DOI: 10.7270/Q2TQ61ZJ |
More data for this Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50357036
(CHEMBL1916661)Show SMILES CC(C)CCN([C@H](C(C)C)C(=O)NO)S(=O)(=O)c1ccc2cc(O)ccc2c1 |r| Show InChI InChI=1S/C20H28N2O5S/c1-13(2)9-10-22(19(14(3)4)20(24)21-25)28(26,27)18-8-6-15-11-17(23)7-5-16(15)12-18/h5-8,11-14,19,23,25H,9-10H2,1-4H3,(H,21,24)/t19-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description Inhibition of MMP13 |
Bioorg Med Chem Lett 21: 6440-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.08.087 BindingDB Entry DOI: 10.7270/Q2TQ61ZJ |
More data for this Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM8465
((2R)-N-hydroxy-2-[(4-methoxybenzene)(pyridin-3-ylm...)Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1cccnc1)[C@H](C(C)C)C(=O)NO |r| Show InChI InChI=1S/C18H23N3O5S/c1-13(2)17(18(22)20-23)21(12-14-5-4-10-19-11-14)27(24,25)16-8-6-15(26-3)7-9-16/h4-11,13,17,23H,12H2,1-3H3,(H,20,22)/t17-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 1.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description Inhibition of MMP13 |
Bioorg Med Chem Lett 21: 6440-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.08.087 BindingDB Entry DOI: 10.7270/Q2TQ61ZJ |
More data for this Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50357030
(CHEMBL1916654)Show SMILES CC(C)CCN([C@H](CO)C(=O)NO)S(=O)(=O)c1ccc2ccccc2c1 |r| Show InChI InChI=1S/C18H24N2O5S/c1-13(2)9-10-20(17(12-21)18(22)19-23)26(24,25)16-8-7-14-5-3-4-6-15(14)11-16/h3-8,11,13,17,21,23H,9-10,12H2,1-2H3,(H,19,22)/t17-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 1.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description Inhibition of MMP13 |
Bioorg Med Chem Lett 21: 6440-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.08.087 BindingDB Entry DOI: 10.7270/Q2TQ61ZJ |
More data for this Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50357038
(CHEMBL1916663)Show SMILES COc1ccc2cc(ccc2c1)S(=O)(=O)N(CCC(C)C)[C@H](C(C)C)C(=O)NO |r| Show InChI InChI=1S/C21H30N2O5S/c1-14(2)10-11-23(20(15(3)4)21(24)22-25)29(26,27)19-9-7-16-12-18(28-5)8-6-17(16)13-19/h6-9,12-15,20,25H,10-11H2,1-5H3,(H,22,24)/t20-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 1.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description Inhibition of MMP13 |
Bioorg Med Chem Lett 21: 6440-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.08.087 BindingDB Entry DOI: 10.7270/Q2TQ61ZJ |
More data for this Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50357050
(CHEMBL1916838)Show SMILES CC(C)CCN([C@H](C(C)C)C(=O)NO)S(=O)(=O)c1ccc2sccc2c1 |r| Show InChI InChI=1S/C18H26N2O4S2/c1-12(2)7-9-20(17(13(3)4)18(21)19-22)26(23,24)15-5-6-16-14(11-15)8-10-25-16/h5-6,8,10-13,17,22H,7,9H2,1-4H3,(H,19,21)/t17-/m1/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 | 1.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description Inhibition of MMP13 |
Bioorg Med Chem Lett 21: 6440-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.08.087 BindingDB Entry DOI: 10.7270/Q2TQ61ZJ |
More data for this Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM8465
((2R)-N-hydroxy-2-[(4-methoxybenzene)(pyridin-3-ylm...)Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1cccnc1)[C@H](C(C)C)C(=O)NO |r| Show InChI InChI=1S/C18H23N3O5S/c1-13(2)17(18(22)20-23)21(12-14-5-4-10-19-11-14)27(24,25)16-8-6-15(26-3)7-9-16/h4-11,13,17,23H,12H2,1-3H3,(H,20,22)/t17-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description Inhibition of MMP2 |
Bioorg Med Chem Lett 21: 6440-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.08.087 BindingDB Entry DOI: 10.7270/Q2TQ61ZJ |
More data for this Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50357022
(CHEMBL1916646)Show SMILES CC(C)[C@@H](N(CCc1ccccc1)S(=O)(=O)c1ccc2ccccc2c1)C(=O)NO |r| Show InChI InChI=1S/C23H26N2O4S/c1-17(2)22(23(26)24-27)25(15-14-18-8-4-3-5-9-18)30(28,29)21-13-12-19-10-6-7-11-20(19)16-21/h3-13,16-17,22,27H,14-15H2,1-2H3,(H,24,26)/t22-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description Inhibition of MMP13 |
Bioorg Med Chem Lett 21: 6440-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.08.087 BindingDB Entry DOI: 10.7270/Q2TQ61ZJ |
More data for this Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50357034
(CHEMBL1916658)Show SMILES CC(C)CCN([C@H](COC(C)(C)C)C(=O)NO)S(=O)(=O)c1ccc2ccccc2c1 |r| Show InChI InChI=1S/C22H32N2O5S/c1-16(2)12-13-24(20(21(25)23-26)15-29-22(3,4)5)30(27,28)19-11-10-17-8-6-7-9-18(17)14-19/h6-11,14,16,20,26H,12-13,15H2,1-5H3,(H,23,25)/t20-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 2.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description Inhibition of MMP13 |
Bioorg Med Chem Lett 21: 6440-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.08.087 BindingDB Entry DOI: 10.7270/Q2TQ61ZJ |
More data for this Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50357026
(CHEMBL1916650)Show SMILES CC(C)[C@@H](N(Cc1ccccn1)S(=O)(=O)c1ccc2ccccc2c1)C(=O)NO |r| Show InChI InChI=1S/C21H23N3O4S/c1-15(2)20(21(25)23-26)24(14-18-9-5-6-12-22-18)29(27,28)19-11-10-16-7-3-4-8-17(16)13-19/h3-13,15,20,26H,14H2,1-2H3,(H,23,25)/t20-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 2.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description Inhibition of MMP13 |
Bioorg Med Chem Lett 21: 6440-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.08.087 BindingDB Entry DOI: 10.7270/Q2TQ61ZJ |
More data for this Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50357054
(CHEMBL1916642)Show SMILES CC(C)[C@@H](N(C)S(=O)(=O)c1ccc2ccccc2c1)C(=O)NO |r| Show InChI InChI=1S/C16H20N2O4S/c1-11(2)15(16(19)17-20)18(3)23(21,22)14-9-8-12-6-4-5-7-13(12)10-14/h4-11,15,20H,1-3H3,(H,17,19)/t15-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 2.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description Inhibition of MMP13 |
Bioorg Med Chem Lett 21: 6440-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.08.087 BindingDB Entry DOI: 10.7270/Q2TQ61ZJ |
More data for this Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50357020
(CHEMBL1916644)Show SMILES CC(C)CCN([C@H](C(C)C)C(=O)NO)S(=O)(=O)c1ccc2ccccc2c1 |r| Show InChI InChI=1S/C20H28N2O4S/c1-14(2)11-12-22(19(15(3)4)20(23)21-24)27(25,26)18-10-9-16-7-5-6-8-17(16)13-18/h5-10,13-15,19,24H,11-12H2,1-4H3,(H,21,23)/t19-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description Inhibition of MMP13 |
Bioorg Med Chem Lett 21: 6440-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.08.087 BindingDB Entry DOI: 10.7270/Q2TQ61ZJ |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50357018
(CHEMBL1914483)Show SMILES CC(C)CCN([C@H](C(C)C)C(=O)NO)S(=O)(=O)c1ccc2OCCOc2c1 |r| Show InChI InChI=1S/C18H28N2O6S/c1-12(2)7-8-20(17(13(3)4)18(21)19-22)27(23,24)14-5-6-15-16(11-14)26-10-9-25-15/h5-6,11-13,17,22H,7-10H2,1-4H3,(H,19,21)/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 | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description Inhibition of MMP2 |
Bioorg Med Chem Lett 21: 6440-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.08.087 BindingDB Entry DOI: 10.7270/Q2TQ61ZJ |
More data for this Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50357035
(CHEMBL1916660)Show SMILES CC(C)CCN([C@H](C(C)O)C(=O)NO)S(=O)(=O)c1ccc2ccccc2c1 |r| Show InChI InChI=1S/C19H26N2O5S/c1-13(2)10-11-21(18(14(3)22)19(23)20-24)27(25,26)17-9-8-15-6-4-5-7-16(15)12-17/h4-9,12-14,18,22,24H,10-11H2,1-3H3,(H,20,23)/t14?,18-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 3.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description Inhibition of MMP13 |
Bioorg Med Chem Lett 21: 6440-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.08.087 BindingDB Entry DOI: 10.7270/Q2TQ61ZJ |
More data for this Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50357040
(CHEMBL1916665)Show SMILES CCOc1ccc2cc(ccc2c1)S(=O)(=O)N(CCC(C)C)[C@H](C(C)C)C(=O)NO |r| Show InChI InChI=1S/C22H32N2O5S/c1-6-29-19-9-7-18-14-20(10-8-17(18)13-19)30(27,28)24(12-11-15(2)3)21(16(4)5)22(25)23-26/h7-10,13-16,21,26H,6,11-12H2,1-5H3,(H,23,25)/t21-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 3.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description Inhibition of MMP13 |
Bioorg Med Chem Lett 21: 6440-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.08.087 BindingDB Entry DOI: 10.7270/Q2TQ61ZJ |
More data for this Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50357055
(CHEMBL1916643)Show SMILES CC(C)CN([C@H](C(C)C)C(=O)NO)S(=O)(=O)c1ccc2ccccc2c1 |r| Show InChI InChI=1S/C19H26N2O4S/c1-13(2)12-21(18(14(3)4)19(22)20-23)26(24,25)17-10-9-15-7-5-6-8-16(15)11-17/h5-11,13-14,18,23H,12H2,1-4H3,(H,20,22)/t18-/m1/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 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description Inhibition of MMP13 |
Bioorg Med Chem Lett 21: 6440-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.08.087 BindingDB Entry DOI: 10.7270/Q2TQ61ZJ |
More data for this Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50357024
(CHEMBL1916648)Show SMILES CC(C)[C@@H](N(Cc1ccncc1)S(=O)(=O)c1ccc2ccccc2c1)C(=O)NO |r| Show InChI InChI=1S/C21H23N3O4S/c1-15(2)20(21(25)23-26)24(14-16-9-11-22-12-10-16)29(27,28)19-8-7-17-5-3-4-6-18(17)13-19/h3-13,15,20,26H,14H2,1-2H3,(H,23,25)/t20-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description Inhibition of MMP13 |
Bioorg Med Chem Lett 21: 6440-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.08.087 BindingDB Entry DOI: 10.7270/Q2TQ61ZJ |
More data for this Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50357051
(CHEMBL1916640)Show InChI InChI=1S/C16H20N2O4S/c1-12(2)10-18(11-16(19)17-20)23(21,22)15-8-7-13-5-3-4-6-14(13)9-15/h3-9,12,20H,10-11H2,1-2H3,(H,17,19) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description Inhibition of MMP13 |
Bioorg Med Chem Lett 21: 6440-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.08.087 BindingDB Entry DOI: 10.7270/Q2TQ61ZJ |
More data for this Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50357042
(CHEMBL1916830)Show SMILES CCCOc1ccc2cc(ccc2c1)S(=O)(=O)N(CCC(C)C)[C@H](C(C)C)C(=O)NO |r| Show InChI InChI=1S/C23H34N2O5S/c1-6-13-30-20-9-7-19-15-21(10-8-18(19)14-20)31(28,29)25(12-11-16(2)3)22(17(4)5)23(26)24-27/h7-10,14-17,22,27H,6,11-13H2,1-5H3,(H,24,26)/t22-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description Inhibition of MMP13 |
Bioorg Med Chem Lett 21: 6440-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.08.087 BindingDB Entry DOI: 10.7270/Q2TQ61ZJ |
More data for this Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50357017
(CHEMBL1916839)Show SMILES CC(C)CCN([C@H](C(C)C)C(=O)NO)S(=O)(=O)c1ccc2OCCc2c1 |r| Show InChI InChI=1S/C18H28N2O5S/c1-12(2)7-9-20(17(13(3)4)18(21)19-22)26(23,24)15-5-6-16-14(11-15)8-10-25-16/h5-6,11-13,17,22H,7-10H2,1-4H3,(H,19,21)/t17-/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 | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description Inhibition of MMP2 |
Bioorg Med Chem Lett 21: 6440-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.08.087 BindingDB Entry DOI: 10.7270/Q2TQ61ZJ |
More data for this Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50357031
(CHEMBL1916655)Show SMILES CC(C)CCN([C@H](C1CCOCC1)C(=O)NO)S(=O)(=O)c1ccc2ccccc2c1 |r| Show InChI InChI=1S/C22H30N2O5S/c1-16(2)9-12-24(21(22(25)23-26)18-10-13-29-14-11-18)30(27,28)20-8-7-17-5-3-4-6-19(17)15-20/h3-8,15-16,18,21,26H,9-14H2,1-2H3,(H,23,25)/t21-/m1/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 | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description Inhibition of MMP13 |
Bioorg Med Chem Lett 21: 6440-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.08.087 BindingDB Entry DOI: 10.7270/Q2TQ61ZJ |
More data for this Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50357049
(CHEMBL1916837)Show SMILES CC(C)CCN([C@H](C(C)C)C(=O)NO)S(=O)(=O)c1ccc2ncccc2c1 |r| Show InChI InChI=1S/C19H27N3O4S/c1-13(2)9-11-22(18(14(3)4)19(23)21-24)27(25,26)16-7-8-17-15(12-16)6-5-10-20-17/h5-8,10,12-14,18,24H,9,11H2,1-4H3,(H,21,23)/t18-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description Inhibition of MMP13 |
Bioorg Med Chem Lett 21: 6440-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.08.087 BindingDB Entry DOI: 10.7270/Q2TQ61ZJ |
More data for this Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50357043
(CHEMBL1916831)Show SMILES CC(C)CCN([C@H](C(C)C)C(=O)NO)S(=O)(=O)c1ccc2cc(OCC(C)C)ccc2c1 |r| Show InChI InChI=1S/C24H36N2O5S/c1-16(2)11-12-26(23(18(5)6)24(27)25-28)32(29,30)22-10-8-19-13-21(31-15-17(3)4)9-7-20(19)14-22/h7-10,13-14,16-18,23,28H,11-12,15H2,1-6H3,(H,25,27)/t23-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description Inhibition of MMP13 |
Bioorg Med Chem Lett 21: 6440-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.08.087 BindingDB Entry DOI: 10.7270/Q2TQ61ZJ |
More data for this Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50357025
(CHEMBL1916649)Show SMILES CC(C)[C@@H](N(Cc1cccnc1)S(=O)(=O)c1ccc2ccccc2c1)C(=O)NO |r| Show InChI InChI=1S/C21H23N3O4S/c1-15(2)20(21(25)23-26)24(14-16-6-5-11-22-13-16)29(27,28)19-10-9-17-7-3-4-8-18(17)12-19/h3-13,15,20,26H,14H2,1-2H3,(H,23,25)/t20-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description Inhibition of MMP13 |
Bioorg Med Chem Lett 21: 6440-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.08.087 BindingDB Entry DOI: 10.7270/Q2TQ61ZJ |
More data for this Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50357050
(CHEMBL1916838)Show SMILES CC(C)CCN([C@H](C(C)C)C(=O)NO)S(=O)(=O)c1ccc2sccc2c1 |r| Show InChI InChI=1S/C18H26N2O4S2/c1-12(2)7-9-20(17(13(3)4)18(21)19-22)26(23,24)15-5-6-16-14(11-15)8-10-25-16/h5-6,8,10-13,17,22H,7,9H2,1-4H3,(H,19,21)/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 | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description Inhibition of MMP2 |
Bioorg Med Chem Lett 21: 6440-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.08.087 BindingDB Entry DOI: 10.7270/Q2TQ61ZJ |
More data for this Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50357028
(CHEMBL1916652)Show SMILES CC(C)[C@@H](N(CCN1CCOCC1)S(=O)(=O)c1ccc2ccccc2c1)C(=O)NO |r| Show InChI InChI=1S/C21H29N3O5S/c1-16(2)20(21(25)22-26)24(10-9-23-11-13-29-14-12-23)30(27,28)19-8-7-17-5-3-4-6-18(17)15-19/h3-8,15-16,20,26H,9-14H2,1-2H3,(H,22,25)/t20-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description Inhibition of MMP13 |
Bioorg Med Chem Lett 21: 6440-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.08.087 BindingDB Entry DOI: 10.7270/Q2TQ61ZJ |
More data for this Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50357023
(CHEMBL1916647)Show SMILES CC(C)[C@@H](N(CCCc1ccccc1)S(=O)(=O)c1ccc2ccccc2c1)C(=O)NO |r| Show InChI InChI=1S/C24H28N2O4S/c1-18(2)23(24(27)25-28)26(16-8-11-19-9-4-3-5-10-19)31(29,30)22-15-14-20-12-6-7-13-21(20)17-22/h3-7,9-10,12-15,17-18,23,28H,8,11,16H2,1-2H3,(H,25,27)/t23-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 24 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description Inhibition of MMP13 |
Bioorg Med Chem Lett 21: 6440-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.08.087 BindingDB Entry DOI: 10.7270/Q2TQ61ZJ |
More data for this Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50357025
(CHEMBL1916649)Show SMILES CC(C)[C@@H](N(Cc1cccnc1)S(=O)(=O)c1ccc2ccccc2c1)C(=O)NO |r| Show InChI InChI=1S/C21H23N3O4S/c1-15(2)20(21(25)23-26)24(14-16-6-5-11-22-13-16)29(27,28)19-10-9-17-7-3-4-8-18(17)12-19/h3-13,15,20,26H,14H2,1-2H3,(H,23,25)/t20-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description Inhibition of MMP2 |
Bioorg Med Chem Lett 21: 6440-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.08.087 BindingDB Entry DOI: 10.7270/Q2TQ61ZJ |
More data for this Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50357032
(CHEMBL1916656)Show SMILES CC(C)CCN([C@H](CCc1ccccc1)C(=O)NO)S(=O)(=O)c1ccc2ccccc2c1 |r| Show InChI InChI=1S/C25H30N2O4S/c1-19(2)16-17-27(24(25(28)26-29)15-12-20-8-4-3-5-9-20)32(30,31)23-14-13-21-10-6-7-11-22(21)18-23/h3-11,13-14,18-19,24,29H,12,15-17H2,1-2H3,(H,26,28)/t24-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 26 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description Inhibition of MMP13 |
Bioorg Med Chem Lett 21: 6440-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.08.087 BindingDB Entry DOI: 10.7270/Q2TQ61ZJ |
More data for this Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50357033
(CHEMBL1916657)Show SMILES CC(C)CCN([C@H](Cc1ccc(O)cc1)C(=O)NO)S(=O)(=O)c1ccc2ccccc2c1 |r| Show InChI InChI=1S/C24H28N2O5S/c1-17(2)13-14-26(23(24(28)25-29)15-18-7-10-21(27)11-8-18)32(30,31)22-12-9-19-5-3-4-6-20(19)16-22/h3-12,16-17,23,27,29H,13-15H2,1-2H3,(H,25,28)/t23-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 28 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description Inhibition of MMP13 |
Bioorg Med Chem Lett 21: 6440-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.08.087 BindingDB Entry DOI: 10.7270/Q2TQ61ZJ |
More data for this Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50357021
(CHEMBL1916645)Show SMILES CC(C)[C@@H](N(Cc1ccccc1)S(=O)(=O)c1ccc2ccccc2c1)C(=O)NO |r| Show InChI InChI=1S/C22H24N2O4S/c1-16(2)21(22(25)23-26)24(15-17-8-4-3-5-9-17)29(27,28)20-13-12-18-10-6-7-11-19(18)14-20/h3-14,16,21,26H,15H2,1-2H3,(H,23,25)/t21-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 28 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description Inhibition of MMP13 |
Bioorg Med Chem Lett 21: 6440-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.08.087 BindingDB Entry DOI: 10.7270/Q2TQ61ZJ |
More data for this Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50357027
(CHEMBL1916651)Show SMILES CC(C)[C@@H](N(CCN(C)C)S(=O)(=O)c1ccc2ccccc2c1)C(=O)NO |r| Show InChI InChI=1S/C19H27N3O4S/c1-14(2)18(19(23)20-24)22(12-11-21(3)4)27(25,26)17-10-9-15-7-5-6-8-16(15)13-17/h5-10,13-14,18,24H,11-12H2,1-4H3,(H,20,23)/t18-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 32 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description Inhibition of MMP13 |
Bioorg Med Chem Lett 21: 6440-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.08.087 BindingDB Entry DOI: 10.7270/Q2TQ61ZJ |
More data for this Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50357053
(CHEMBL1914481)Show SMILES CC(C)[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)NO |r| Show InChI InChI=1S/C15H18N2O4S/c1-10(2)14(15(18)16-19)17-22(20,21)13-8-7-11-5-3-4-6-12(11)9-13/h3-10,14,17,19H,1-2H3,(H,16,18)/t14-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 33 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description Inhibition of MMP13 |
Bioorg Med Chem Lett 21: 6440-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.08.087 BindingDB Entry DOI: 10.7270/Q2TQ61ZJ |
More data for this Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50357056
(CHEMBL1916659)Show SMILES CC(C)CCN([C@@H](C(=O)NO)C(C)(C)C)S(=O)(=O)c1ccc2ccccc2c1 |r| Show InChI InChI=1S/C21H30N2O4S/c1-15(2)12-13-23(19(20(24)22-25)21(3,4)5)28(26,27)18-11-10-16-8-6-7-9-17(16)14-18/h6-11,14-15,19,25H,12-13H2,1-5H3,(H,22,24)/t19-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 34 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description Inhibition of MMP13 |
Bioorg Med Chem Lett 21: 6440-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.08.087 BindingDB Entry DOI: 10.7270/Q2TQ61ZJ |
More data for this Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50357046
(CHEMBL1916834)Show SMILES CCc1ccc2cc(ccc2c1)S(=O)(=O)N(CCC(C)C)[C@H](C(C)C)C(=O)NO |r| Show InChI InChI=1S/C22H32N2O4S/c1-6-17-7-8-19-14-20(10-9-18(19)13-17)29(27,28)24(12-11-15(2)3)21(16(4)5)22(25)23-26/h7-10,13-16,21,26H,6,11-12H2,1-5H3,(H,23,25)/t21-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 45 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description Inhibition of MMP2 |
Bioorg Med Chem Lett 21: 6440-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.08.087 BindingDB Entry DOI: 10.7270/Q2TQ61ZJ |
More data for this Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50357054
(CHEMBL1916642)Show SMILES CC(C)[C@@H](N(C)S(=O)(=O)c1ccc2ccccc2c1)C(=O)NO |r| Show InChI InChI=1S/C16H20N2O4S/c1-11(2)15(16(19)17-20)18(3)23(21,22)14-9-8-12-6-4-5-7-13(12)10-14/h4-11,15,20H,1-3H3,(H,17,19)/t15-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 54 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description Inhibition of MMP2 |
Bioorg Med Chem Lett 21: 6440-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.08.087 BindingDB Entry DOI: 10.7270/Q2TQ61ZJ |
More data for this Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50357031
(CHEMBL1916655)Show SMILES CC(C)CCN([C@H](C1CCOCC1)C(=O)NO)S(=O)(=O)c1ccc2ccccc2c1 |r| Show InChI InChI=1S/C22H30N2O5S/c1-16(2)9-12-24(21(22(25)23-26)18-10-13-29-14-11-18)30(27,28)20-8-7-17-5-3-4-6-19(17)15-20/h3-8,15-16,18,21,26H,9-14H2,1-2H3,(H,23,25)/t21-/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 | 81 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description Inhibition of MMP2 |
Bioorg Med Chem Lett 21: 6440-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.08.087 BindingDB Entry DOI: 10.7270/Q2TQ61ZJ |
More data for this Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50357030
(CHEMBL1916654)Show SMILES CC(C)CCN([C@H](CO)C(=O)NO)S(=O)(=O)c1ccc2ccccc2c1 |r| Show InChI InChI=1S/C18H24N2O5S/c1-13(2)9-10-20(17(12-21)18(22)19-23)26(24,25)16-8-7-14-5-3-4-6-15(14)11-16/h3-8,11,13,17,21,23H,9-10,12H2,1-2H3,(H,19,22)/t17-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 83 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description Inhibition of MMP2 |
Bioorg Med Chem Lett 21: 6440-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.08.087 BindingDB Entry DOI: 10.7270/Q2TQ61ZJ |
More data for this Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50357051
(CHEMBL1916640)Show InChI InChI=1S/C16H20N2O4S/c1-12(2)10-18(11-16(19)17-20)23(21,22)15-8-7-13-5-3-4-6-14(13)9-15/h3-9,12,20H,10-11H2,1-2H3,(H,17,19) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 86 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description Inhibition of MMP2 |
Bioorg Med Chem Lett 21: 6440-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.08.087 BindingDB Entry DOI: 10.7270/Q2TQ61ZJ |
More data for this Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50357053
(CHEMBL1914481)Show SMILES CC(C)[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)NO |r| Show InChI InChI=1S/C15H18N2O4S/c1-10(2)14(15(18)16-19)17-22(20,21)13-8-7-11-5-3-4-6-12(11)9-13/h3-10,14,17,19H,1-2H3,(H,16,18)/t14-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 96 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description Inhibition of MMP2 |
Bioorg Med Chem Lett 21: 6440-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.08.087 BindingDB Entry DOI: 10.7270/Q2TQ61ZJ |
More data for this Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50357047
(CHEMBL1916835)Show SMILES CC(C)CCN([C@H](C(C)C)C(=O)NO)S(=O)(=O)c1ccc2ccccc2n1 |r| Show InChI InChI=1S/C19H27N3O4S/c1-13(2)11-12-22(18(14(3)4)19(23)21-24)27(25,26)17-10-9-15-7-5-6-8-16(15)20-17/h5-10,13-14,18,24H,11-12H2,1-4H3,(H,21,23)/t18-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description Inhibition of MMP13 |
Bioorg Med Chem Lett 21: 6440-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.08.087 BindingDB Entry DOI: 10.7270/Q2TQ61ZJ |
More data for this Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50357043
(CHEMBL1916831)Show SMILES CC(C)CCN([C@H](C(C)C)C(=O)NO)S(=O)(=O)c1ccc2cc(OCC(C)C)ccc2c1 |r| Show InChI InChI=1S/C24H36N2O5S/c1-16(2)11-12-26(23(18(5)6)24(27)25-28)32(29,30)22-10-8-19-13-21(31-15-17(3)4)9-7-20(19)14-22/h7-10,13-14,16-18,23,28H,11-12,15H2,1-6H3,(H,25,27)/t23-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 102 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description Inhibition of MMP2 |
Bioorg Med Chem Lett 21: 6440-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.08.087 BindingDB Entry DOI: 10.7270/Q2TQ61ZJ |
More data for this Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50357035
(CHEMBL1916660)Show SMILES CC(C)CCN([C@H](C(C)O)C(=O)NO)S(=O)(=O)c1ccc2ccccc2c1 |r| Show InChI InChI=1S/C19H26N2O5S/c1-13(2)10-11-21(18(14(3)22)19(23)20-24)27(25,26)17-9-8-15-6-4-5-7-16(15)12-17/h4-9,12-14,18,22,24H,10-11H2,1-3H3,(H,20,23)/t14?,18-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 111 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description Inhibition of MMP2 |
Bioorg Med Chem Lett 21: 6440-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.08.087 BindingDB Entry DOI: 10.7270/Q2TQ61ZJ |
More data for this Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50357029
(CHEMBL1916653)Show SMILES CC(C)CCN([C@H](CC(C)C)C(=O)NO)S(=O)(=O)c1ccc2ccccc2c1 |r| Show InChI InChI=1S/C21H30N2O4S/c1-15(2)11-12-23(20(13-16(3)4)21(24)22-25)28(26,27)19-10-9-17-7-5-6-8-18(17)14-19/h5-10,14-16,20,25H,11-13H2,1-4H3,(H,22,24)/t20-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 128 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description Inhibition of MMP2 |
Bioorg Med Chem Lett 21: 6440-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.08.087 BindingDB Entry DOI: 10.7270/Q2TQ61ZJ |
More data for this Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50357028
(CHEMBL1916652)Show SMILES CC(C)[C@@H](N(CCN1CCOCC1)S(=O)(=O)c1ccc2ccccc2c1)C(=O)NO |r| Show InChI InChI=1S/C21H29N3O5S/c1-16(2)20(21(25)22-26)24(10-9-23-11-13-29-14-12-23)30(27,28)19-8-7-17-5-3-4-6-18(17)15-19/h3-8,15-16,20,26H,9-14H2,1-2H3,(H,22,25)/t20-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 144 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description Inhibition of MMP2 |
Bioorg Med Chem Lett 21: 6440-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.08.087 BindingDB Entry DOI: 10.7270/Q2TQ61ZJ |
More data for this Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50357052
(CHEMBL1916641)Show InChI InChI=1S/C12H12N2O4S/c15-12(14-16)8-13-19(17,18)11-6-5-9-3-1-2-4-10(9)7-11/h1-7,13,16H,8H2,(H,14,15) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 163 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description Inhibition of MMP2 |
Bioorg Med Chem Lett 21: 6440-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.08.087 BindingDB Entry DOI: 10.7270/Q2TQ61ZJ |
More data for this Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50357045
(CHEMBL1916833)Show SMILES CC(C)CCN([C@H](C(C)C)C(=O)NO)S(=O)(=O)c1ccc2cc(OCc3ccccc3)ccc2c1 |r| Show InChI InChI=1S/C27H34N2O5S/c1-19(2)14-15-29(26(20(3)4)27(30)28-31)35(32,33)25-13-11-22-16-24(12-10-23(22)17-25)34-18-21-8-6-5-7-9-21/h5-13,16-17,19-20,26,31H,14-15,18H2,1-4H3,(H,28,30)/t26-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 165 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description Inhibition of MMP13 |
Bioorg Med Chem Lett 21: 6440-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.08.087 BindingDB Entry DOI: 10.7270/Q2TQ61ZJ |
More data for this Ligand-Target Pair | |