Found 95 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 |
|---|
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50099118
(5-methyl-5-(4-phenoxyphenyl)barbituric acid | CHEM...)Show InChI InChI=1S/C17H14N2O4/c1-17(14(20)18-16(22)19-15(17)21)11-7-9-13(10-8-11)23-12-5-3-2-4-6-12/h2-10H,1H3,(H2,18,19,20,21,22) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| 52 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
In vitro binding affinity against matrix metalloprotease 9 |
Bioorg Med Chem Lett 15: 2970-3 (2005)
Article DOI: 10.1016/j.bmcl.2005.04.039
BindingDB Entry DOI: 10.7270/Q2028R2B |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50099118
(5-methyl-5-(4-phenoxyphenyl)barbituric acid | CHEM...)Show InChI InChI=1S/C17H14N2O4/c1-17(14(20)18-16(22)19-15(17)21)11-7-9-13(10-8-11)23-12-5-3-2-4-6-12/h2-10H,1H3,(H2,18,19,20,21,22) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| 65 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
In vitro binding affinity against matrix metalloprotease 13 |
Bioorg Med Chem Lett 15: 2970-3 (2005)
Article DOI: 10.1016/j.bmcl.2005.04.039
BindingDB Entry DOI: 10.7270/Q2028R2B |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50099118
(5-methyl-5-(4-phenoxyphenyl)barbituric acid | CHEM...)Show InChI InChI=1S/C17H14N2O4/c1-17(14(20)18-16(22)19-15(17)21)11-7-9-13(10-8-11)23-12-5-3-2-4-6-12/h2-10H,1H3,(H2,18,19,20,21,22) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| 80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
In vitro binding affinity against matrix metalloprotease 2 |
Bioorg Med Chem Lett 15: 2970-3 (2005)
Article DOI: 10.1016/j.bmcl.2005.04.039
BindingDB Entry DOI: 10.7270/Q2028R2B |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50167494
(5-[4-(2-Methyl-quinolin-4-ylmethoxy)-phenyl]-5-(4-...)Show SMILES Cc1cc(COc2ccc(cc2)C2(N3CCN(CCc4ccccc4)CC3)C(=O)NC(=O)NC2=O)c2ccccc2n1 Show InChI InChI=1S/C33H33N5O4/c1-23-21-25(28-9-5-6-10-29(28)34-23)22-42-27-13-11-26(12-14-27)33(30(39)35-32(41)36-31(33)40)38-19-17-37(18-20-38)16-15-24-7-3-2-4-8-24/h2-14,21H,15-20,22H2,1H3,(H2,35,36,39,40,41) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 83 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
In vitro binding affinity against matrix metalloprotease 2 |
Bioorg Med Chem Lett 15: 2970-3 (2005)
Article DOI: 10.1016/j.bmcl.2005.04.039
BindingDB Entry DOI: 10.7270/Q2028R2B |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50167494
(5-[4-(2-Methyl-quinolin-4-ylmethoxy)-phenyl]-5-(4-...)Show SMILES Cc1cc(COc2ccc(cc2)C2(N3CCN(CCc4ccccc4)CC3)C(=O)NC(=O)NC2=O)c2ccccc2n1 Show InChI InChI=1S/C33H33N5O4/c1-23-21-25(28-9-5-6-10-29(28)34-23)22-42-27-13-11-26(12-14-27)33(30(39)35-32(41)36-31(33)40)38-19-17-37(18-20-38)16-15-24-7-3-2-4-8-24/h2-14,21H,15-20,22H2,1H3,(H2,35,36,39,40,41) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 85 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
In vitro binding affinity against matrix metalloprotease 9 |
Bioorg Med Chem Lett 15: 2970-3 (2005)
Article DOI: 10.1016/j.bmcl.2005.04.039
BindingDB Entry DOI: 10.7270/Q2028R2B |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50167494
(5-[4-(2-Methyl-quinolin-4-ylmethoxy)-phenyl]-5-(4-...)Show SMILES Cc1cc(COc2ccc(cc2)C2(N3CCN(CCc4ccccc4)CC3)C(=O)NC(=O)NC2=O)c2ccccc2n1 Show InChI InChI=1S/C33H33N5O4/c1-23-21-25(28-9-5-6-10-29(28)34-23)22-42-27-13-11-26(12-14-27)33(30(39)35-32(41)36-31(33)40)38-19-17-37(18-20-38)16-15-24-7-3-2-4-8-24/h2-14,21H,15-20,22H2,1H3,(H2,35,36,39,40,41) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 95 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
In vitro binding affinity against matrix metalloprotease 13 |
Bioorg Med Chem Lett 15: 2970-3 (2005)
Article DOI: 10.1016/j.bmcl.2005.04.039
BindingDB Entry DOI: 10.7270/Q2028R2B |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50167483
(5-[4-(2-Methyl-quinolin-4-ylmethoxy)-phenyl]-5-[4-...)Show SMILES Cc1cc(COc2ccc(cc2)C2(N3CCN(CC3)c3ccc(cc3)[N+]([O-])=O)C(=O)NC(=O)NC2=O)c2ccccc2n1 Show InChI InChI=1S/C31H28N6O6/c1-20-18-21(26-4-2-3-5-27(26)32-20)19-43-25-12-6-22(7-13-25)31(28(38)33-30(40)34-29(31)39)36-16-14-35(15-17-36)23-8-10-24(11-9-23)37(41)42/h2-13,18H,14-17,19H2,1H3,(H2,33,34,38,39,40) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 116 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
In vitro binding affinity against matrix metalloprotease 2 |
Bioorg Med Chem Lett 15: 2970-3 (2005)
Article DOI: 10.1016/j.bmcl.2005.04.039
BindingDB Entry DOI: 10.7270/Q2028R2B |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50167483
(5-[4-(2-Methyl-quinolin-4-ylmethoxy)-phenyl]-5-[4-...)Show SMILES Cc1cc(COc2ccc(cc2)C2(N3CCN(CC3)c3ccc(cc3)[N+]([O-])=O)C(=O)NC(=O)NC2=O)c2ccccc2n1 Show InChI InChI=1S/C31H28N6O6/c1-20-18-21(26-4-2-3-5-27(26)32-20)19-43-25-12-6-22(7-13-25)31(28(38)33-30(40)34-29(31)39)36-16-14-35(15-17-36)23-8-10-24(11-9-23)37(41)42/h2-13,18H,14-17,19H2,1H3,(H2,33,34,38,39,40) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 138 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
In vitro binding affinity against matrix metalloprotease 9 |
Bioorg Med Chem Lett 15: 2970-3 (2005)
Article DOI: 10.1016/j.bmcl.2005.04.039
BindingDB Entry DOI: 10.7270/Q2028R2B |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50167483
(5-[4-(2-Methyl-quinolin-4-ylmethoxy)-phenyl]-5-[4-...)Show SMILES Cc1cc(COc2ccc(cc2)C2(N3CCN(CC3)c3ccc(cc3)[N+]([O-])=O)C(=O)NC(=O)NC2=O)c2ccccc2n1 Show InChI InChI=1S/C31H28N6O6/c1-20-18-21(26-4-2-3-5-27(26)32-20)19-43-25-12-6-22(7-13-25)31(28(38)33-30(40)34-29(31)39)36-16-14-35(15-17-36)23-8-10-24(11-9-23)37(41)42/h2-13,18H,14-17,19H2,1H3,(H2,33,34,38,39,40) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 356 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
In vitro binding affinity against matrix metalloprotease 13 |
Bioorg Med Chem Lett 15: 2970-3 (2005)
Article DOI: 10.1016/j.bmcl.2005.04.039
BindingDB Entry DOI: 10.7270/Q2028R2B |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50167489
(5-(4-Benzyloxy-phenyl)-5-methyl-pyrimidine-2,4,6-t...)Show InChI InChI=1S/C18H16N2O4/c1-18(15(21)19-17(23)20-16(18)22)13-7-9-14(10-8-13)24-11-12-5-3-2-4-6-12/h2-10H,11H2,1H3,(H2,19,20,21,22,23) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
In vitro binding affinity against matrix metalloprotease 2 |
Bioorg Med Chem Lett 15: 2970-3 (2005)
Article DOI: 10.1016/j.bmcl.2005.04.039
BindingDB Entry DOI: 10.7270/Q2028R2B |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50167493
(5-(4-Hydroxy-phenyl)-5-methyl-pyrimidine-2,4,6-tri...)Show InChI InChI=1S/C11H10N2O4/c1-11(6-2-4-7(14)5-3-6)8(15)12-10(17)13-9(11)16/h2-5,14H,1H3,(H2,12,13,15,16,17) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 850 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
In vitro binding affinity against matrix metalloprotease 9 |
Bioorg Med Chem Lett 15: 2970-3 (2005)
Article DOI: 10.1016/j.bmcl.2005.04.039
BindingDB Entry DOI: 10.7270/Q2028R2B |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50167495
(5-[4-(2-Methyl-quinolin-4-ylmethoxy)-phenyl]-5-[4-...)Show SMILES Cc1cc(COc2ccc(cc2)C2(N3CCN(CCCc4ccccc4)CC3)C(=O)NC(=O)NC2=O)c2ccccc2n1 Show InChI InChI=1S/C34H35N5O4/c1-24-22-26(29-11-5-6-12-30(29)35-24)23-43-28-15-13-27(14-16-28)34(31(40)36-33(42)37-32(34)41)39-20-18-38(19-21-39)17-7-10-25-8-3-2-4-9-25/h2-6,8-9,11-16,22H,7,10,17-21,23H2,1H3,(H2,36,37,40,41,42) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.04E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
In vitro binding affinity against matrix metalloprotease 9 |
Bioorg Med Chem Lett 15: 2970-3 (2005)
Article DOI: 10.1016/j.bmcl.2005.04.039
BindingDB Entry DOI: 10.7270/Q2028R2B |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50167497
(5-[4-(2-Methyl-quinolin-4-ylmethoxy)-phenyl]-5-mor...)Show SMILES Cc1cc(COc2ccc(cc2)C2(N3CCOCC3)C(=O)NC(=O)NC2=O)c2ccccc2n1 Show InChI InChI=1S/C25H24N4O5/c1-16-14-17(20-4-2-3-5-21(20)26-16)15-34-19-8-6-18(7-9-19)25(29-10-12-33-13-11-29)22(30)27-24(32)28-23(25)31/h2-9,14H,10-13,15H2,1H3,(H2,27,28,30,31,32) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >2.13E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
In vitro binding affinity against matrix metalloprotease 9 |
Bioorg Med Chem Lett 15: 2970-3 (2005)
Article DOI: 10.1016/j.bmcl.2005.04.039
BindingDB Entry DOI: 10.7270/Q2028R2B |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50167487
(5-[4-(2,2-Dimethyl-propyl)-piperazin-1-yl]-5-[4-(2...)Show SMILES Cc1cc(COc2ccc(cc2)C2(N3CCN(CC(C)(C)C)CC3)C(=O)NC(=O)NC2=O)c2ccccc2n1 Show InChI InChI=1S/C30H35N5O4/c1-20-17-21(24-7-5-6-8-25(24)31-20)18-39-23-11-9-22(10-12-23)30(26(36)32-28(38)33-27(30)37)35-15-13-34(14-16-35)19-29(2,3)4/h5-12,17H,13-16,18-19H2,1-4H3,(H2,32,33,36,37,38) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >2.13E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
In vitro binding affinity against matrix metalloprotease 9 |
Bioorg Med Chem Lett 15: 2970-3 (2005)
Article DOI: 10.1016/j.bmcl.2005.04.039
BindingDB Entry DOI: 10.7270/Q2028R2B |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50167485
(5-Methyl-5-[4-(2-methyl-quinolin-4-ylmethoxy)-phen...)Show SMILES Cc1cc(COc2ccc(cc2)C2(C)C(=O)NC(=O)NC2=O)c2ccccc2n1 Show InChI InChI=1S/C22H19N3O4/c1-13-11-14(17-5-3-4-6-18(17)23-13)12-29-16-9-7-15(8-10-16)22(2)19(26)24-21(28)25-20(22)27/h3-11H,12H2,1-2H3,(H2,24,25,26,27,28) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >2.13E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
In vitro binding affinity against matrix metalloprotease 9 |
Bioorg Med Chem Lett 15: 2970-3 (2005)
Article DOI: 10.1016/j.bmcl.2005.04.039
BindingDB Entry DOI: 10.7270/Q2028R2B |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50167489
(5-(4-Benzyloxy-phenyl)-5-methyl-pyrimidine-2,4,6-t...)Show InChI InChI=1S/C18H16N2O4/c1-18(15(21)19-17(23)20-16(18)22)13-7-9-14(10-8-13)24-11-12-5-3-2-4-6-12/h2-10H,11H2,1H3,(H2,19,20,21,22,23) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >2.13E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
In vitro binding affinity against matrix metalloprotease 9 |
Bioorg Med Chem Lett 15: 2970-3 (2005)
Article DOI: 10.1016/j.bmcl.2005.04.039
BindingDB Entry DOI: 10.7270/Q2028R2B |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50167491
(5-[4-(2-Methyl-quinolin-4-ylmethoxy)-phenyl]-5-pip...)Show SMILES Cc1cc(COc2ccc(cc2)C2(N3CCCCC3)C(=O)NC(=O)NC2=O)c2ccccc2n1 Show InChI InChI=1S/C26H26N4O4/c1-17-15-18(21-7-3-4-8-22(21)27-17)16-34-20-11-9-19(10-12-20)26(30-13-5-2-6-14-30)23(31)28-25(33)29-24(26)32/h3-4,7-12,15H,2,5-6,13-14,16H2,1H3,(H2,28,29,31,32,33) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >2.13E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
In vitro binding affinity against matrix metalloprotease 9 |
Bioorg Med Chem Lett 15: 2970-3 (2005)
Article DOI: 10.1016/j.bmcl.2005.04.039
BindingDB Entry DOI: 10.7270/Q2028R2B |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50167488
(5-(4-Hexyl-piperazin-1-yl)-5-[4-(2-methyl-quinolin...)Show SMILES CCCCCCN1CCN(CC1)C1(C(=O)NC(=O)NC1=O)c1ccc(OCc2cc(C)nc3ccccc23)cc1 Show InChI InChI=1S/C31H37N5O4/c1-3-4-5-8-15-35-16-18-36(19-17-35)31(28(37)33-30(39)34-29(31)38)24-11-13-25(14-12-24)40-21-23-20-22(2)32-27-10-7-6-9-26(23)27/h6-7,9-14,20H,3-5,8,15-19,21H2,1-2H3,(H2,33,34,37,38,39) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >2.13E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
In vitro binding affinity against matrix metalloprotease 9 |
Bioorg Med Chem Lett 15: 2970-3 (2005)
Article DOI: 10.1016/j.bmcl.2005.04.039
BindingDB Entry DOI: 10.7270/Q2028R2B |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50167501
(5-[4-(2,2-Dimethyl-propionyl)-piperazin-1-yl]-5-[4...)Show SMILES Cc1cc(COc2ccc(cc2)C2(N3CCN(CC3)C(=O)C(C)(C)C)C(=O)NC(=O)NC2=O)c2ccccc2n1 Show InChI InChI=1S/C30H33N5O5/c1-19-17-20(23-7-5-6-8-24(23)31-19)18-40-22-11-9-21(10-12-22)30(25(36)32-28(39)33-26(30)37)35-15-13-34(14-16-35)27(38)29(2,3)4/h5-12,17H,13-16,18H2,1-4H3,(H2,32,33,36,37,39) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >2.13E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
In vitro binding affinity against matrix metalloprotease 9 |
Bioorg Med Chem Lett 15: 2970-3 (2005)
Article DOI: 10.1016/j.bmcl.2005.04.039
BindingDB Entry DOI: 10.7270/Q2028R2B |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50167492
(5-(4-Isopropyl-piperazin-1-yl)-5-[4-(2-methyl-quin...)Show SMILES CC(C)N1CCN(CC1)C1(C(=O)NC(=O)NC1=O)c1ccc(OCc2cc(C)nc3ccccc23)cc1 Show InChI InChI=1S/C28H31N5O4/c1-18(2)32-12-14-33(15-13-32)28(25(34)30-27(36)31-26(28)35)21-8-10-22(11-9-21)37-17-20-16-19(3)29-24-7-5-4-6-23(20)24/h4-11,16,18H,12-15,17H2,1-3H3,(H2,30,31,34,35,36) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >2.13E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
In vitro binding affinity against matrix metalloprotease 9 |
Bioorg Med Chem Lett 15: 2970-3 (2005)
Article DOI: 10.1016/j.bmcl.2005.04.039
BindingDB Entry DOI: 10.7270/Q2028R2B |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50167484
(5-[4-(2-Methyl-quinolin-4-ylmethoxy)-phenyl]-5-pip...)Show SMILES Cc1cc(COc2ccc(cc2)C2(N3CCNCC3)C(=O)NC(=O)NC2=O)c2ccccc2n1 Show InChI InChI=1S/C25H25N5O4/c1-16-14-17(20-4-2-3-5-21(20)27-16)15-34-19-8-6-18(7-9-19)25(30-12-10-26-11-13-30)22(31)28-24(33)29-23(25)32/h2-9,14,26H,10-13,15H2,1H3,(H2,28,29,31,32,33) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >2.13E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
In vitro binding affinity against matrix metalloprotease 9 |
Bioorg Med Chem Lett 15: 2970-3 (2005)
Article DOI: 10.1016/j.bmcl.2005.04.039
BindingDB Entry DOI: 10.7270/Q2028R2B |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50167500
(5-[4-(4-Acetyl-phenyl)-piperazin-1-yl]-5-[4-(2-met...)Show SMILES CC(=O)c1ccc(cc1)N1CCN(CC1)C1(C(=O)NC(=O)NC1=O)c1ccc(OCc2cc(C)nc3ccccc23)cc1 Show InChI InChI=1S/C33H31N5O5/c1-21-19-24(28-5-3-4-6-29(28)34-21)20-43-27-13-9-25(10-14-27)33(30(40)35-32(42)36-31(33)41)38-17-15-37(16-18-38)26-11-7-23(8-12-26)22(2)39/h3-14,19H,15-18,20H2,1-2H3,(H2,35,36,40,41,42) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >2.13E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
In vitro binding affinity against matrix metalloprotease 9 |
Bioorg Med Chem Lett 15: 2970-3 (2005)
Article DOI: 10.1016/j.bmcl.2005.04.039
BindingDB Entry DOI: 10.7270/Q2028R2B |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50167499
(5-(4-Benzyl-piperazin-1-yl)-5-[4-(2-methyl-quinoli...)Show SMILES Cc1cc(COc2ccc(cc2)C2(N3CCN(Cc4ccccc4)CC3)C(=O)NC(=O)NC2=O)c2ccccc2n1 Show InChI InChI=1S/C32H31N5O4/c1-22-19-24(27-9-5-6-10-28(27)33-22)21-41-26-13-11-25(12-14-26)32(29(38)34-31(40)35-30(32)39)37-17-15-36(16-18-37)20-23-7-3-2-4-8-23/h2-14,19H,15-18,20-21H2,1H3,(H2,34,35,38,39,40) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >2.13E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
In vitro binding affinity against matrix metalloprotease 9 |
Bioorg Med Chem Lett 15: 2970-3 (2005)
Article DOI: 10.1016/j.bmcl.2005.04.039
BindingDB Entry DOI: 10.7270/Q2028R2B |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50167498
(5-(4-Methanesulfonyl-piperazin-1-yl)-5-[4-(2-methy...)Show SMILES Cc1cc(COc2ccc(cc2)C2(N3CCN(CC3)S(C)(=O)=O)C(=O)NC(=O)NC2=O)c2ccccc2n1 Show InChI InChI=1S/C26H27N5O6S/c1-17-15-18(21-5-3-4-6-22(21)27-17)16-37-20-9-7-19(8-10-20)26(23(32)28-25(34)29-24(26)33)30-11-13-31(14-12-30)38(2,35)36/h3-10,15H,11-14,16H2,1-2H3,(H2,28,29,32,33,34) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >2.13E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
In vitro binding affinity against matrix metalloprotease 9 |
Bioorg Med Chem Lett 15: 2970-3 (2005)
Article DOI: 10.1016/j.bmcl.2005.04.039
BindingDB Entry DOI: 10.7270/Q2028R2B |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50167486
(5-(4-Methyl-piperazin-1-yl)-5-[4-(2-methyl-quinoli...)Show SMILES CN1CCN(CC1)C1(C(=O)NC(=O)NC1=O)c1ccc(OCc2cc(C)nc3ccccc23)cc1 Show InChI InChI=1S/C26H27N5O4/c1-17-15-18(21-5-3-4-6-22(21)27-17)16-35-20-9-7-19(8-10-20)26(31-13-11-30(2)12-14-31)23(32)28-25(34)29-24(26)33/h3-10,15H,11-14,16H2,1-2H3,(H2,28,29,32,33,34) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >2.13E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
In vitro binding affinity against matrix metalloprotease 9 |
Bioorg Med Chem Lett 15: 2970-3 (2005)
Article DOI: 10.1016/j.bmcl.2005.04.039
BindingDB Entry DOI: 10.7270/Q2028R2B |
More data for this
Ligand-Target Pair | |
Matrix metalloproteinase-9
(Homo sapiens (Human)) | BDBM50167490
(4-{5-[4-(2-Methyl-quinolin-4-ylmethoxy)-phenyl]-2,...)Show SMILES Cc1cc(COc2ccc(cc2)C2(N3CCN(CC3)C(=O)OC(C)(C)C)C(=O)NC(=O)NC2=O)c2ccccc2n1 Show InChI InChI=1S/C30H33N5O6/c1-19-17-20(23-7-5-6-8-24(23)31-19)18-40-22-11-9-21(10-12-22)30(25(36)32-27(38)33-26(30)37)35-15-13-34(14-16-35)28(39)41-29(2,3)4/h5-12,17H,13-16,18H2,1-4H3,(H2,32,33,36,37,38) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >2.13E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
In vitro binding affinity against matrix metalloprotease 9 |
Bioorg Med Chem Lett 15: 2970-3 (2005)
Article DOI: 10.1016/j.bmcl.2005.04.039
BindingDB Entry DOI: 10.7270/Q2028R2B |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50167493
(5-(4-Hydroxy-phenyl)-5-methyl-pyrimidine-2,4,6-tri...)Show InChI InChI=1S/C11H10N2O4/c1-11(6-2-4-7(14)5-3-6)8(15)12-10(17)13-9(11)16/h2-5,14H,1H3,(H2,12,13,15,16,17) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.53E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
In vitro binding affinity against matrix metalloprotease 2 |
Bioorg Med Chem Lett 15: 2970-3 (2005)
Article DOI: 10.1016/j.bmcl.2005.04.039
BindingDB Entry DOI: 10.7270/Q2028R2B |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50167495
(5-[4-(2-Methyl-quinolin-4-ylmethoxy)-phenyl]-5-[4-...)Show SMILES Cc1cc(COc2ccc(cc2)C2(N3CCN(CCCc4ccccc4)CC3)C(=O)NC(=O)NC2=O)c2ccccc2n1 Show InChI InChI=1S/C34H35N5O4/c1-24-22-26(29-11-5-6-12-30(29)35-24)23-43-28-15-13-27(14-16-28)34(31(40)36-33(42)37-32(34)41)39-20-18-38(19-21-39)17-7-10-25-8-3-2-4-9-25/h2-6,8-9,11-16,22H,7,10,17-21,23H2,1H3,(H2,36,37,40,41,42) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
In vitro binding affinity against matrix metalloprotease 2 |
Bioorg Med Chem Lett 15: 2970-3 (2005)
Article DOI: 10.1016/j.bmcl.2005.04.039
BindingDB Entry DOI: 10.7270/Q2028R2B |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50167500
(5-[4-(4-Acetyl-phenyl)-piperazin-1-yl]-5-[4-(2-met...)Show SMILES CC(=O)c1ccc(cc1)N1CCN(CC1)C1(C(=O)NC(=O)NC1=O)c1ccc(OCc2cc(C)nc3ccccc23)cc1 Show InChI InChI=1S/C33H31N5O5/c1-21-19-24(28-5-3-4-6-29(28)34-21)20-43-27-13-9-25(10-14-27)33(30(40)35-32(42)36-31(33)41)38-17-15-37(16-18-38)26-11-7-23(8-12-26)22(2)39/h3-14,19H,15-18,20H2,1-2H3,(H2,35,36,40,41,42) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >3.33E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
In vitro binding affinity against matrix metalloprotease 2 |
Bioorg Med Chem Lett 15: 2970-3 (2005)
Article DOI: 10.1016/j.bmcl.2005.04.039
BindingDB Entry DOI: 10.7270/Q2028R2B |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50167484
(5-[4-(2-Methyl-quinolin-4-ylmethoxy)-phenyl]-5-pip...)Show SMILES Cc1cc(COc2ccc(cc2)C2(N3CCNCC3)C(=O)NC(=O)NC2=O)c2ccccc2n1 Show InChI InChI=1S/C25H25N5O4/c1-16-14-17(20-4-2-3-5-21(20)27-16)15-34-19-8-6-18(7-9-19)25(30-12-10-26-11-13-30)22(31)28-24(33)29-23(25)32/h2-9,14,26H,10-13,15H2,1H3,(H2,28,29,31,32,33) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >3.33E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
In vitro binding affinity against matrix metalloprotease 2 |
Bioorg Med Chem Lett 15: 2970-3 (2005)
Article DOI: 10.1016/j.bmcl.2005.04.039
BindingDB Entry DOI: 10.7270/Q2028R2B |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50167499
(5-(4-Benzyl-piperazin-1-yl)-5-[4-(2-methyl-quinoli...)Show SMILES Cc1cc(COc2ccc(cc2)C2(N3CCN(Cc4ccccc4)CC3)C(=O)NC(=O)NC2=O)c2ccccc2n1 Show InChI InChI=1S/C32H31N5O4/c1-22-19-24(27-9-5-6-10-28(27)33-22)21-41-26-13-11-25(12-14-26)32(29(38)34-31(40)35-30(32)39)37-17-15-36(16-18-37)20-23-7-3-2-4-8-23/h2-14,19H,15-18,20-21H2,1H3,(H2,34,35,38,39,40) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >3.33E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
In vitro binding affinity against matrix metalloprotease 2 |
Bioorg Med Chem Lett 15: 2970-3 (2005)
Article DOI: 10.1016/j.bmcl.2005.04.039
BindingDB Entry DOI: 10.7270/Q2028R2B |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50167485
(5-Methyl-5-[4-(2-methyl-quinolin-4-ylmethoxy)-phen...)Show SMILES Cc1cc(COc2ccc(cc2)C2(C)C(=O)NC(=O)NC2=O)c2ccccc2n1 Show InChI InChI=1S/C22H19N3O4/c1-13-11-14(17-5-3-4-6-18(17)23-13)12-29-16-9-7-15(8-10-16)22(2)19(26)24-21(28)25-20(22)27/h3-11H,12H2,1-2H3,(H2,24,25,26,27,28) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >3.33E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
In vitro binding affinity against matrix metalloprotease 2 |
Bioorg Med Chem Lett 15: 2970-3 (2005)
Article DOI: 10.1016/j.bmcl.2005.04.039
BindingDB Entry DOI: 10.7270/Q2028R2B |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50167496
(5-Methyl-5-[6-(2-methyl-quinolin-4-ylmethoxy)-naph...)Show SMILES Cc1cc(COc2ccc3cc(ccc3c2)C2(C)C(=O)NC(=O)NC2=O)c2ccccc2n1 Show InChI InChI=1S/C26H21N3O4/c1-15-11-18(21-5-3-4-6-22(21)27-15)14-33-20-10-8-16-12-19(9-7-17(16)13-20)26(2)23(30)28-25(32)29-24(26)31/h3-13H,14H2,1-2H3,(H2,28,29,30,31,32) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.33E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
In vitro binding affinity against matrix metalloprotease 2 |
Bioorg Med Chem Lett 15: 2970-3 (2005)
Article DOI: 10.1016/j.bmcl.2005.04.039
BindingDB Entry DOI: 10.7270/Q2028R2B |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50167488
(5-(4-Hexyl-piperazin-1-yl)-5-[4-(2-methyl-quinolin...)Show SMILES CCCCCCN1CCN(CC1)C1(C(=O)NC(=O)NC1=O)c1ccc(OCc2cc(C)nc3ccccc23)cc1 Show InChI InChI=1S/C31H37N5O4/c1-3-4-5-8-15-35-16-18-36(19-17-35)31(28(37)33-30(39)34-29(31)38)24-11-13-25(14-12-24)40-21-23-20-22(2)32-27-10-7-6-9-26(23)27/h6-7,9-14,20H,3-5,8,15-19,21H2,1-2H3,(H2,33,34,37,38,39) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >3.33E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
In vitro binding affinity against matrix metalloprotease 2 |
Bioorg Med Chem Lett 15: 2970-3 (2005)
Article DOI: 10.1016/j.bmcl.2005.04.039
BindingDB Entry DOI: 10.7270/Q2028R2B |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50167486
(5-(4-Methyl-piperazin-1-yl)-5-[4-(2-methyl-quinoli...)Show SMILES CN1CCN(CC1)C1(C(=O)NC(=O)NC1=O)c1ccc(OCc2cc(C)nc3ccccc23)cc1 Show InChI InChI=1S/C26H27N5O4/c1-17-15-18(21-5-3-4-6-22(21)27-17)16-35-20-9-7-19(8-10-20)26(31-13-11-30(2)12-14-31)23(32)28-25(34)29-24(26)33/h3-10,15H,11-14,16H2,1-2H3,(H2,28,29,32,33,34) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >3.33E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
In vitro binding affinity against matrix metalloprotease 2 |
Bioorg Med Chem Lett 15: 2970-3 (2005)
Article DOI: 10.1016/j.bmcl.2005.04.039
BindingDB Entry DOI: 10.7270/Q2028R2B |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50167501
(5-[4-(2,2-Dimethyl-propionyl)-piperazin-1-yl]-5-[4...)Show SMILES Cc1cc(COc2ccc(cc2)C2(N3CCN(CC3)C(=O)C(C)(C)C)C(=O)NC(=O)NC2=O)c2ccccc2n1 Show InChI InChI=1S/C30H33N5O5/c1-19-17-20(23-7-5-6-8-24(23)31-19)18-40-22-11-9-21(10-12-22)30(25(36)32-28(39)33-26(30)37)35-15-13-34(14-16-35)27(38)29(2,3)4/h5-12,17H,13-16,18H2,1-4H3,(H2,32,33,36,37,39) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >3.33E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
In vitro binding affinity against matrix metalloprotease 2 |
Bioorg Med Chem Lett 15: 2970-3 (2005)
Article DOI: 10.1016/j.bmcl.2005.04.039
BindingDB Entry DOI: 10.7270/Q2028R2B |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50167490
(4-{5-[4-(2-Methyl-quinolin-4-ylmethoxy)-phenyl]-2,...)Show SMILES Cc1cc(COc2ccc(cc2)C2(N3CCN(CC3)C(=O)OC(C)(C)C)C(=O)NC(=O)NC2=O)c2ccccc2n1 Show InChI InChI=1S/C30H33N5O6/c1-19-17-20(23-7-5-6-8-24(23)31-19)18-40-22-11-9-21(10-12-22)30(25(36)32-27(38)33-26(30)37)35-15-13-34(14-16-35)28(39)41-29(2,3)4/h5-12,17H,13-16,18H2,1-4H3,(H2,32,33,36,37,38) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >3.33E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
In vitro binding affinity against matrix metalloprotease 2 |
Bioorg Med Chem Lett 15: 2970-3 (2005)
Article DOI: 10.1016/j.bmcl.2005.04.039
BindingDB Entry DOI: 10.7270/Q2028R2B |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50167497
(5-[4-(2-Methyl-quinolin-4-ylmethoxy)-phenyl]-5-mor...)Show SMILES Cc1cc(COc2ccc(cc2)C2(N3CCOCC3)C(=O)NC(=O)NC2=O)c2ccccc2n1 Show InChI InChI=1S/C25H24N4O5/c1-16-14-17(20-4-2-3-5-21(20)26-16)15-34-19-8-6-18(7-9-19)25(29-10-12-33-13-11-29)22(30)27-24(32)28-23(25)31/h2-9,14H,10-13,15H2,1H3,(H2,27,28,30,31,32) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >3.33E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
In vitro binding affinity against matrix metalloprotease 2 |
Bioorg Med Chem Lett 15: 2970-3 (2005)
Article DOI: 10.1016/j.bmcl.2005.04.039
BindingDB Entry DOI: 10.7270/Q2028R2B |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50167498
(5-(4-Methanesulfonyl-piperazin-1-yl)-5-[4-(2-methy...)Show SMILES Cc1cc(COc2ccc(cc2)C2(N3CCN(CC3)S(C)(=O)=O)C(=O)NC(=O)NC2=O)c2ccccc2n1 Show InChI InChI=1S/C26H27N5O6S/c1-17-15-18(21-5-3-4-6-22(21)27-17)16-37-20-9-7-19(8-10-20)26(23(32)28-25(34)29-24(26)33)30-11-13-31(14-12-30)38(2,35)36/h3-10,15H,11-14,16H2,1-2H3,(H2,28,29,32,33,34) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >3.33E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
In vitro binding affinity against matrix metalloprotease 2 |
Bioorg Med Chem Lett 15: 2970-3 (2005)
Article DOI: 10.1016/j.bmcl.2005.04.039
BindingDB Entry DOI: 10.7270/Q2028R2B |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50167491
(5-[4-(2-Methyl-quinolin-4-ylmethoxy)-phenyl]-5-pip...)Show SMILES Cc1cc(COc2ccc(cc2)C2(N3CCCCC3)C(=O)NC(=O)NC2=O)c2ccccc2n1 Show InChI InChI=1S/C26H26N4O4/c1-17-15-18(21-7-3-4-8-22(21)27-17)16-34-20-11-9-19(10-12-20)26(30-13-5-2-6-14-30)23(31)28-25(33)29-24(26)32/h3-4,7-12,15H,2,5-6,13-14,16H2,1H3,(H2,28,29,31,32,33) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >3.33E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
In vitro binding affinity against matrix metalloprotease 2 |
Bioorg Med Chem Lett 15: 2970-3 (2005)
Article DOI: 10.1016/j.bmcl.2005.04.039
BindingDB Entry DOI: 10.7270/Q2028R2B |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50167492
(5-(4-Isopropyl-piperazin-1-yl)-5-[4-(2-methyl-quin...)Show SMILES CC(C)N1CCN(CC1)C1(C(=O)NC(=O)NC1=O)c1ccc(OCc2cc(C)nc3ccccc23)cc1 Show InChI InChI=1S/C28H31N5O4/c1-18(2)32-12-14-33(15-13-32)28(25(34)30-27(36)31-26(28)35)21-8-10-22(11-9-21)37-17-20-16-19(3)29-24-7-5-4-6-23(20)24/h4-11,16,18H,12-15,17H2,1-3H3,(H2,30,31,34,35,36) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >3.33E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
In vitro binding affinity against matrix metalloprotease 2 |
Bioorg Med Chem Lett 15: 2970-3 (2005)
Article DOI: 10.1016/j.bmcl.2005.04.039
BindingDB Entry DOI: 10.7270/Q2028R2B |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50167487
(5-[4-(2,2-Dimethyl-propyl)-piperazin-1-yl]-5-[4-(2...)Show SMILES Cc1cc(COc2ccc(cc2)C2(N3CCN(CC(C)(C)C)CC3)C(=O)NC(=O)NC2=O)c2ccccc2n1 Show InChI InChI=1S/C30H35N5O4/c1-20-17-21(24-7-5-6-8-25(24)31-20)18-39-23-11-9-22(10-12-23)30(26(36)32-28(38)33-27(30)37)35-15-13-34(14-16-35)19-29(2,3)4/h5-12,17H,13-16,18-19H2,1-4H3,(H2,32,33,36,37,38) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >3.33E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
In vitro binding affinity against matrix metalloprotease 2 |
Bioorg Med Chem Lett 15: 2970-3 (2005)
Article DOI: 10.1016/j.bmcl.2005.04.039
BindingDB Entry DOI: 10.7270/Q2028R2B |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50167489
(5-(4-Benzyloxy-phenyl)-5-methyl-pyrimidine-2,4,6-t...)Show InChI InChI=1S/C18H16N2O4/c1-18(15(21)19-17(23)20-16(18)22)13-7-9-14(10-8-13)24-11-12-5-3-2-4-6-12/h2-10H,11H2,1H3,(H2,19,20,21,22,23) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4.02E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
In vitro binding affinity against matrix metalloprotease 13 |
Bioorg Med Chem Lett 15: 2970-3 (2005)
Article DOI: 10.1016/j.bmcl.2005.04.039
BindingDB Entry DOI: 10.7270/Q2028R2B |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50167483
(5-[4-(2-Methyl-quinolin-4-ylmethoxy)-phenyl]-5-[4-...)Show SMILES Cc1cc(COc2ccc(cc2)C2(N3CCN(CC3)c3ccc(cc3)[N+]([O-])=O)C(=O)NC(=O)NC2=O)c2ccccc2n1 Show InChI InChI=1S/C31H28N6O6/c1-20-18-21(26-4-2-3-5-27(26)32-20)19-43-25-12-6-22(7-13-25)31(28(38)33-30(40)34-29(31)39)36-16-14-35(15-17-36)23-8-10-24(11-9-23)37(41)42/h2-13,18H,14-17,19H2,1H3,(H2,33,34,38,39,40) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >4.35E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
In vitro binding affinity against matrix metalloprotease 1 |
Bioorg Med Chem Lett 15: 2970-3 (2005)
Article DOI: 10.1016/j.bmcl.2005.04.039
BindingDB Entry DOI: 10.7270/Q2028R2B |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50167489
(5-(4-Benzyloxy-phenyl)-5-methyl-pyrimidine-2,4,6-t...)Show InChI InChI=1S/C18H16N2O4/c1-18(15(21)19-17(23)20-16(18)22)13-7-9-14(10-8-13)24-11-12-5-3-2-4-6-12/h2-10H,11H2,1H3,(H2,19,20,21,22,23) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >4.95E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
In vitro binding affinity against matrix metalloprotease 1 |
Bioorg Med Chem Lett 15: 2970-3 (2005)
Article DOI: 10.1016/j.bmcl.2005.04.039
BindingDB Entry DOI: 10.7270/Q2028R2B |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50167492
(5-(4-Isopropyl-piperazin-1-yl)-5-[4-(2-methyl-quin...)Show SMILES CC(C)N1CCN(CC1)C1(C(=O)NC(=O)NC1=O)c1ccc(OCc2cc(C)nc3ccccc23)cc1 Show InChI InChI=1S/C28H31N5O4/c1-18(2)32-12-14-33(15-13-32)28(25(34)30-27(36)31-26(28)35)21-8-10-22(11-9-21)37-17-20-16-19(3)29-24-7-5-4-6-23(20)24/h4-11,16,18H,12-15,17H2,1-3H3,(H2,30,31,34,35,36) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >4.95E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
In vitro binding affinity against matrix metalloprotease 1 |
Bioorg Med Chem Lett 15: 2970-3 (2005)
Article DOI: 10.1016/j.bmcl.2005.04.039
BindingDB Entry DOI: 10.7270/Q2028R2B |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50167498
(5-(4-Methanesulfonyl-piperazin-1-yl)-5-[4-(2-methy...)Show SMILES Cc1cc(COc2ccc(cc2)C2(N3CCN(CC3)S(C)(=O)=O)C(=O)NC(=O)NC2=O)c2ccccc2n1 Show InChI InChI=1S/C26H27N5O6S/c1-17-15-18(21-5-3-4-6-22(21)27-17)16-37-20-9-7-19(8-10-20)26(23(32)28-25(34)29-24(26)33)30-11-13-31(14-12-30)38(2,35)36/h3-10,15H,11-14,16H2,1-2H3,(H2,28,29,32,33,34) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >4.95E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
In vitro binding affinity against matrix metalloprotease 1 |
Bioorg Med Chem Lett 15: 2970-3 (2005)
Article DOI: 10.1016/j.bmcl.2005.04.039
BindingDB Entry DOI: 10.7270/Q2028R2B |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50167485
(5-Methyl-5-[4-(2-methyl-quinolin-4-ylmethoxy)-phen...)Show SMILES Cc1cc(COc2ccc(cc2)C2(C)C(=O)NC(=O)NC2=O)c2ccccc2n1 Show InChI InChI=1S/C22H19N3O4/c1-13-11-14(17-5-3-4-6-18(17)23-13)12-29-16-9-7-15(8-10-16)22(2)19(26)24-21(28)25-20(22)27/h3-11H,12H2,1-2H3,(H2,24,25,26,27,28) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >4.95E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
In vitro binding affinity against matrix metalloprotease 1 |
Bioorg Med Chem Lett 15: 2970-3 (2005)
Article DOI: 10.1016/j.bmcl.2005.04.039
BindingDB Entry DOI: 10.7270/Q2028R2B |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50167488
(5-(4-Hexyl-piperazin-1-yl)-5-[4-(2-methyl-quinolin...)Show SMILES CCCCCCN1CCN(CC1)C1(C(=O)NC(=O)NC1=O)c1ccc(OCc2cc(C)nc3ccccc23)cc1 Show InChI InChI=1S/C31H37N5O4/c1-3-4-5-8-15-35-16-18-36(19-17-35)31(28(37)33-30(39)34-29(31)38)24-11-13-25(14-12-24)40-21-23-20-22(2)32-27-10-7-6-9-26(23)27/h6-7,9-14,20H,3-5,8,15-19,21H2,1-2H3,(H2,33,34,37,38,39) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >4.95E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
In vitro binding affinity against matrix metalloprotease 1 |
Bioorg Med Chem Lett 15: 2970-3 (2005)
Article DOI: 10.1016/j.bmcl.2005.04.039
BindingDB Entry DOI: 10.7270/Q2028R2B |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50167497
(5-[4-(2-Methyl-quinolin-4-ylmethoxy)-phenyl]-5-mor...)Show SMILES Cc1cc(COc2ccc(cc2)C2(N3CCOCC3)C(=O)NC(=O)NC2=O)c2ccccc2n1 Show InChI InChI=1S/C25H24N4O5/c1-16-14-17(20-4-2-3-5-21(20)26-16)15-34-19-8-6-18(7-9-19)25(29-10-12-33-13-11-29)22(30)27-24(32)28-23(25)31/h2-9,14H,10-13,15H2,1H3,(H2,27,28,30,31,32) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >4.95E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
In vitro binding affinity against matrix metalloprotease 1 |
Bioorg Med Chem Lett 15: 2970-3 (2005)
Article DOI: 10.1016/j.bmcl.2005.04.039
BindingDB Entry DOI: 10.7270/Q2028R2B |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50167501
(5-[4-(2,2-Dimethyl-propionyl)-piperazin-1-yl]-5-[4...)Show SMILES Cc1cc(COc2ccc(cc2)C2(N3CCN(CC3)C(=O)C(C)(C)C)C(=O)NC(=O)NC2=O)c2ccccc2n1 Show InChI InChI=1S/C30H33N5O5/c1-19-17-20(23-7-5-6-8-24(23)31-19)18-40-22-11-9-21(10-12-22)30(25(36)32-28(39)33-26(30)37)35-15-13-34(14-16-35)27(38)29(2,3)4/h5-12,17H,13-16,18H2,1-4H3,(H2,32,33,36,37,39) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >4.95E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
In vitro binding affinity against matrix metalloprotease 1 |
Bioorg Med Chem Lett 15: 2970-3 (2005)
Article DOI: 10.1016/j.bmcl.2005.04.039
BindingDB Entry DOI: 10.7270/Q2028R2B |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50167487
(5-[4-(2,2-Dimethyl-propyl)-piperazin-1-yl]-5-[4-(2...)Show SMILES Cc1cc(COc2ccc(cc2)C2(N3CCN(CC(C)(C)C)CC3)C(=O)NC(=O)NC2=O)c2ccccc2n1 Show InChI InChI=1S/C30H35N5O4/c1-20-17-21(24-7-5-6-8-25(24)31-20)18-39-23-11-9-22(10-12-23)30(26(36)32-28(38)33-27(30)37)35-15-13-34(14-16-35)19-29(2,3)4/h5-12,17H,13-16,18-19H2,1-4H3,(H2,32,33,36,37,38) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >4.95E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
In vitro binding affinity against matrix metalloprotease 1 |
Bioorg Med Chem Lett 15: 2970-3 (2005)
Article DOI: 10.1016/j.bmcl.2005.04.039
BindingDB Entry DOI: 10.7270/Q2028R2B |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50167490
(4-{5-[4-(2-Methyl-quinolin-4-ylmethoxy)-phenyl]-2,...)Show SMILES Cc1cc(COc2ccc(cc2)C2(N3CCN(CC3)C(=O)OC(C)(C)C)C(=O)NC(=O)NC2=O)c2ccccc2n1 Show InChI InChI=1S/C30H33N5O6/c1-19-17-20(23-7-5-6-8-24(23)31-19)18-40-22-11-9-21(10-12-22)30(25(36)32-27(38)33-26(30)37)35-15-13-34(14-16-35)28(39)41-29(2,3)4/h5-12,17H,13-16,18H2,1-4H3,(H2,32,33,36,37,38) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >4.95E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
In vitro binding affinity against matrix metalloprotease 1 |
Bioorg Med Chem Lett 15: 2970-3 (2005)
Article DOI: 10.1016/j.bmcl.2005.04.039
BindingDB Entry DOI: 10.7270/Q2028R2B |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50167493
(5-(4-Hydroxy-phenyl)-5-methyl-pyrimidine-2,4,6-tri...)Show InChI InChI=1S/C11H10N2O4/c1-11(6-2-4-7(14)5-3-6)8(15)12-10(17)13-9(11)16/h2-5,14H,1H3,(H2,12,13,15,16,17) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >4.95E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
In vitro binding affinity against matrix metalloprotease 1 |
Bioorg Med Chem Lett 15: 2970-3 (2005)
Article DOI: 10.1016/j.bmcl.2005.04.039
BindingDB Entry DOI: 10.7270/Q2028R2B |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50167499
(5-(4-Benzyl-piperazin-1-yl)-5-[4-(2-methyl-quinoli...)Show SMILES Cc1cc(COc2ccc(cc2)C2(N3CCN(Cc4ccccc4)CC3)C(=O)NC(=O)NC2=O)c2ccccc2n1 Show InChI InChI=1S/C32H31N5O4/c1-22-19-24(27-9-5-6-10-28(27)33-22)21-41-26-13-11-25(12-14-26)32(29(38)34-31(40)35-30(32)39)37-17-15-36(16-18-37)20-23-7-3-2-4-8-23/h2-14,19H,15-18,20-21H2,1H3,(H2,34,35,38,39,40) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >4.95E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
In vitro binding affinity against matrix metalloprotease 1 |
Bioorg Med Chem Lett 15: 2970-3 (2005)
Article DOI: 10.1016/j.bmcl.2005.04.039
BindingDB Entry DOI: 10.7270/Q2028R2B |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50167495
(5-[4-(2-Methyl-quinolin-4-ylmethoxy)-phenyl]-5-[4-...)Show SMILES Cc1cc(COc2ccc(cc2)C2(N3CCN(CCCc4ccccc4)CC3)C(=O)NC(=O)NC2=O)c2ccccc2n1 Show InChI InChI=1S/C34H35N5O4/c1-24-22-26(29-11-5-6-12-30(29)35-24)23-43-28-15-13-27(14-16-28)34(31(40)36-33(42)37-32(34)41)39-20-18-38(19-21-39)17-7-10-25-8-3-2-4-9-25/h2-6,8-9,11-16,22H,7,10,17-21,23H2,1H3,(H2,36,37,40,41,42) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >4.95E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
In vitro binding affinity against matrix metalloprotease 1 |
Bioorg Med Chem Lett 15: 2970-3 (2005)
Article DOI: 10.1016/j.bmcl.2005.04.039
BindingDB Entry DOI: 10.7270/Q2028R2B |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50167491
(5-[4-(2-Methyl-quinolin-4-ylmethoxy)-phenyl]-5-pip...)Show SMILES Cc1cc(COc2ccc(cc2)C2(N3CCCCC3)C(=O)NC(=O)NC2=O)c2ccccc2n1 Show InChI InChI=1S/C26H26N4O4/c1-17-15-18(21-7-3-4-8-22(21)27-17)16-34-20-11-9-19(10-12-20)26(30-13-5-2-6-14-30)23(31)28-25(33)29-24(26)32/h3-4,7-12,15H,2,5-6,13-14,16H2,1H3,(H2,28,29,31,32,33) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >4.95E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
In vitro binding affinity against matrix metalloprotease 1 |
Bioorg Med Chem Lett 15: 2970-3 (2005)
Article DOI: 10.1016/j.bmcl.2005.04.039
BindingDB Entry DOI: 10.7270/Q2028R2B |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50167484
(5-[4-(2-Methyl-quinolin-4-ylmethoxy)-phenyl]-5-pip...)Show SMILES Cc1cc(COc2ccc(cc2)C2(N3CCNCC3)C(=O)NC(=O)NC2=O)c2ccccc2n1 Show InChI InChI=1S/C25H25N5O4/c1-16-14-17(20-4-2-3-5-21(20)27-16)15-34-19-8-6-18(7-9-19)25(30-12-10-26-11-13-30)22(31)28-24(33)29-23(25)32/h2-9,14,26H,10-13,15H2,1H3,(H2,28,29,31,32,33) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >4.95E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
In vitro binding affinity against matrix metalloprotease 1 |
Bioorg Med Chem Lett 15: 2970-3 (2005)
Article DOI: 10.1016/j.bmcl.2005.04.039
BindingDB Entry DOI: 10.7270/Q2028R2B |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50167486
(5-(4-Methyl-piperazin-1-yl)-5-[4-(2-methyl-quinoli...)Show SMILES CN1CCN(CC1)C1(C(=O)NC(=O)NC1=O)c1ccc(OCc2cc(C)nc3ccccc23)cc1 Show InChI InChI=1S/C26H27N5O4/c1-17-15-18(21-5-3-4-6-22(21)27-17)16-35-20-9-7-19(8-10-20)26(31-13-11-30(2)12-14-31)23(32)28-25(34)29-24(26)33/h3-10,15H,11-14,16H2,1-2H3,(H2,28,29,32,33,34) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >4.95E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
In vitro binding affinity against matrix metalloprotease 1 |
Bioorg Med Chem Lett 15: 2970-3 (2005)
Article DOI: 10.1016/j.bmcl.2005.04.039
BindingDB Entry DOI: 10.7270/Q2028R2B |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50167494
(5-[4-(2-Methyl-quinolin-4-ylmethoxy)-phenyl]-5-(4-...)Show SMILES Cc1cc(COc2ccc(cc2)C2(N3CCN(CCc4ccccc4)CC3)C(=O)NC(=O)NC2=O)c2ccccc2n1 Show InChI InChI=1S/C33H33N5O4/c1-23-21-25(28-9-5-6-10-29(28)34-23)22-42-27-13-11-26(12-14-27)33(30(39)35-32(41)36-31(33)40)38-19-17-37(18-20-38)16-15-24-7-3-2-4-8-24/h2-14,21H,15-20,22H2,1H3,(H2,35,36,39,40,41) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >4.95E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
In vitro binding affinity against matrix metalloprotease 1 |
Bioorg Med Chem Lett 15: 2970-3 (2005)
Article DOI: 10.1016/j.bmcl.2005.04.039
BindingDB Entry DOI: 10.7270/Q2028R2B |
More data for this
Ligand-Target Pair | |
Interstitial collagenase
(Homo sapiens (Human)) | BDBM50167500
(5-[4-(4-Acetyl-phenyl)-piperazin-1-yl]-5-[4-(2-met...)Show SMILES CC(=O)c1ccc(cc1)N1CCN(CC1)C1(C(=O)NC(=O)NC1=O)c1ccc(OCc2cc(C)nc3ccccc23)cc1 Show InChI InChI=1S/C33H31N5O5/c1-21-19-24(28-5-3-4-6-29(28)34-21)20-43-27-13-9-25(10-14-27)33(30(40)35-32(42)36-31(33)41)38-17-15-37(16-18-38)26-11-7-23(8-12-26)22(2)39/h3-14,19H,15-18,20H2,1-2H3,(H2,35,36,40,41,42) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >4.95E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
In vitro binding affinity against matrix metalloprotease 1 |
Bioorg Med Chem Lett 15: 2970-3 (2005)
Article DOI: 10.1016/j.bmcl.2005.04.039
BindingDB Entry DOI: 10.7270/Q2028R2B |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50167491
(5-[4-(2-Methyl-quinolin-4-ylmethoxy)-phenyl]-5-pip...)Show SMILES Cc1cc(COc2ccc(cc2)C2(N3CCCCC3)C(=O)NC(=O)NC2=O)c2ccccc2n1 Show InChI InChI=1S/C26H26N4O4/c1-17-15-18(21-7-3-4-8-22(21)27-17)16-34-20-11-9-19(10-12-20)26(30-13-5-2-6-14-30)23(31)28-25(33)29-24(26)32/h3-4,7-12,15H,2,5-6,13-14,16H2,1H3,(H2,28,29,31,32,33) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >5.02E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
In vitro binding affinity against matrix metalloprotease 13 |
Bioorg Med Chem Lett 15: 2970-3 (2005)
Article DOI: 10.1016/j.bmcl.2005.04.039
BindingDB Entry DOI: 10.7270/Q2028R2B |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50167497
(5-[4-(2-Methyl-quinolin-4-ylmethoxy)-phenyl]-5-mor...)Show SMILES Cc1cc(COc2ccc(cc2)C2(N3CCOCC3)C(=O)NC(=O)NC2=O)c2ccccc2n1 Show InChI InChI=1S/C25H24N4O5/c1-16-14-17(20-4-2-3-5-21(20)26-16)15-34-19-8-6-18(7-9-19)25(29-10-12-33-13-11-29)22(30)27-24(32)28-23(25)31/h2-9,14H,10-13,15H2,1H3,(H2,27,28,30,31,32) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >5.02E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
In vitro binding affinity against matrix metalloprotease 13 |
Bioorg Med Chem Lett 15: 2970-3 (2005)
Article DOI: 10.1016/j.bmcl.2005.04.039
BindingDB Entry DOI: 10.7270/Q2028R2B |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50167488
(5-(4-Hexyl-piperazin-1-yl)-5-[4-(2-methyl-quinolin...)Show SMILES CCCCCCN1CCN(CC1)C1(C(=O)NC(=O)NC1=O)c1ccc(OCc2cc(C)nc3ccccc23)cc1 Show InChI InChI=1S/C31H37N5O4/c1-3-4-5-8-15-35-16-18-36(19-17-35)31(28(37)33-30(39)34-29(31)38)24-11-13-25(14-12-24)40-21-23-20-22(2)32-27-10-7-6-9-26(23)27/h6-7,9-14,20H,3-5,8,15-19,21H2,1-2H3,(H2,33,34,37,38,39) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >5.02E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
In vitro binding affinity against matrix metalloprotease 13 |
Bioorg Med Chem Lett 15: 2970-3 (2005)
Article DOI: 10.1016/j.bmcl.2005.04.039
BindingDB Entry DOI: 10.7270/Q2028R2B |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50167499
(5-(4-Benzyl-piperazin-1-yl)-5-[4-(2-methyl-quinoli...)Show SMILES Cc1cc(COc2ccc(cc2)C2(N3CCN(Cc4ccccc4)CC3)C(=O)NC(=O)NC2=O)c2ccccc2n1 Show InChI InChI=1S/C32H31N5O4/c1-22-19-24(27-9-5-6-10-28(27)33-22)21-41-26-13-11-25(12-14-26)32(29(38)34-31(40)35-30(32)39)37-17-15-36(16-18-37)20-23-7-3-2-4-8-23/h2-14,19H,15-18,20-21H2,1H3,(H2,34,35,38,39,40) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >5.02E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
In vitro binding affinity against matrix metalloprotease 13 |
Bioorg Med Chem Lett 15: 2970-3 (2005)
Article DOI: 10.1016/j.bmcl.2005.04.039
BindingDB Entry DOI: 10.7270/Q2028R2B |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50167498
(5-(4-Methanesulfonyl-piperazin-1-yl)-5-[4-(2-methy...)Show SMILES Cc1cc(COc2ccc(cc2)C2(N3CCN(CC3)S(C)(=O)=O)C(=O)NC(=O)NC2=O)c2ccccc2n1 Show InChI InChI=1S/C26H27N5O6S/c1-17-15-18(21-5-3-4-6-22(21)27-17)16-37-20-9-7-19(8-10-20)26(23(32)28-25(34)29-24(26)33)30-11-13-31(14-12-30)38(2,35)36/h3-10,15H,11-14,16H2,1-2H3,(H2,28,29,32,33,34) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >5.02E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
In vitro binding affinity against matrix metalloprotease 13 |
Bioorg Med Chem Lett 15: 2970-3 (2005)
Article DOI: 10.1016/j.bmcl.2005.04.039
BindingDB Entry DOI: 10.7270/Q2028R2B |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50167500
(5-[4-(4-Acetyl-phenyl)-piperazin-1-yl]-5-[4-(2-met...)Show SMILES CC(=O)c1ccc(cc1)N1CCN(CC1)C1(C(=O)NC(=O)NC1=O)c1ccc(OCc2cc(C)nc3ccccc23)cc1 Show InChI InChI=1S/C33H31N5O5/c1-21-19-24(28-5-3-4-6-29(28)34-21)20-43-27-13-9-25(10-14-27)33(30(40)35-32(42)36-31(33)41)38-17-15-37(16-18-38)26-11-7-23(8-12-26)22(2)39/h3-14,19H,15-18,20H2,1-2H3,(H2,35,36,40,41,42) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >5.02E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
In vitro binding affinity against matrix metalloprotease 13 |
Bioorg Med Chem Lett 15: 2970-3 (2005)
Article DOI: 10.1016/j.bmcl.2005.04.039
BindingDB Entry DOI: 10.7270/Q2028R2B |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50167490
(4-{5-[4-(2-Methyl-quinolin-4-ylmethoxy)-phenyl]-2,...)Show SMILES Cc1cc(COc2ccc(cc2)C2(N3CCN(CC3)C(=O)OC(C)(C)C)C(=O)NC(=O)NC2=O)c2ccccc2n1 Show InChI InChI=1S/C30H33N5O6/c1-19-17-20(23-7-5-6-8-24(23)31-19)18-40-22-11-9-21(10-12-22)30(25(36)32-27(38)33-26(30)37)35-15-13-34(14-16-35)28(39)41-29(2,3)4/h5-12,17H,13-16,18H2,1-4H3,(H2,32,33,36,37,38) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >5.02E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
In vitro binding affinity against matrix metalloprotease 13 |
Bioorg Med Chem Lett 15: 2970-3 (2005)
Article DOI: 10.1016/j.bmcl.2005.04.039
BindingDB Entry DOI: 10.7270/Q2028R2B |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50167493
(5-(4-Hydroxy-phenyl)-5-methyl-pyrimidine-2,4,6-tri...)Show InChI InChI=1S/C11H10N2O4/c1-11(6-2-4-7(14)5-3-6)8(15)12-10(17)13-9(11)16/h2-5,14H,1H3,(H2,12,13,15,16,17) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >5.02E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
In vitro binding affinity against matrix metalloprotease 13 |
Bioorg Med Chem Lett 15: 2970-3 (2005)
Article DOI: 10.1016/j.bmcl.2005.04.039
BindingDB Entry DOI: 10.7270/Q2028R2B |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50167495
(5-[4-(2-Methyl-quinolin-4-ylmethoxy)-phenyl]-5-[4-...)Show SMILES Cc1cc(COc2ccc(cc2)C2(N3CCN(CCCc4ccccc4)CC3)C(=O)NC(=O)NC2=O)c2ccccc2n1 Show InChI InChI=1S/C34H35N5O4/c1-24-22-26(29-11-5-6-12-30(29)35-24)23-43-28-15-13-27(14-16-28)34(31(40)36-33(42)37-32(34)41)39-20-18-38(19-21-39)17-7-10-25-8-3-2-4-9-25/h2-6,8-9,11-16,22H,7,10,17-21,23H2,1H3,(H2,36,37,40,41,42) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 5.02E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
In vitro binding affinity against matrix metalloprotease 13 |
Bioorg Med Chem Lett 15: 2970-3 (2005)
Article DOI: 10.1016/j.bmcl.2005.04.039
BindingDB Entry DOI: 10.7270/Q2028R2B |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50167484
(5-[4-(2-Methyl-quinolin-4-ylmethoxy)-phenyl]-5-pip...)Show SMILES Cc1cc(COc2ccc(cc2)C2(N3CCNCC3)C(=O)NC(=O)NC2=O)c2ccccc2n1 Show InChI InChI=1S/C25H25N5O4/c1-16-14-17(20-4-2-3-5-21(20)27-16)15-34-19-8-6-18(7-9-19)25(30-12-10-26-11-13-30)22(31)28-24(33)29-23(25)32/h2-9,14,26H,10-13,15H2,1H3,(H2,28,29,31,32,33) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >5.02E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
In vitro binding affinity against matrix metalloprotease 13 |
Bioorg Med Chem Lett 15: 2970-3 (2005)
Article DOI: 10.1016/j.bmcl.2005.04.039
BindingDB Entry DOI: 10.7270/Q2028R2B |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50167487
(5-[4-(2,2-Dimethyl-propyl)-piperazin-1-yl]-5-[4-(2...)Show SMILES Cc1cc(COc2ccc(cc2)C2(N3CCN(CC(C)(C)C)CC3)C(=O)NC(=O)NC2=O)c2ccccc2n1 Show InChI InChI=1S/C30H35N5O4/c1-20-17-21(24-7-5-6-8-25(24)31-20)18-39-23-11-9-22(10-12-23)30(26(36)32-28(38)33-27(30)37)35-15-13-34(14-16-35)19-29(2,3)4/h5-12,17H,13-16,18-19H2,1-4H3,(H2,32,33,36,37,38) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >5.02E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
In vitro binding affinity against matrix metalloprotease 13 |
Bioorg Med Chem Lett 15: 2970-3 (2005)
Article DOI: 10.1016/j.bmcl.2005.04.039
BindingDB Entry DOI: 10.7270/Q2028R2B |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50167492
(5-(4-Isopropyl-piperazin-1-yl)-5-[4-(2-methyl-quin...)Show SMILES CC(C)N1CCN(CC1)C1(C(=O)NC(=O)NC1=O)c1ccc(OCc2cc(C)nc3ccccc23)cc1 Show InChI InChI=1S/C28H31N5O4/c1-18(2)32-12-14-33(15-13-32)28(25(34)30-27(36)31-26(28)35)21-8-10-22(11-9-21)37-17-20-16-19(3)29-24-7-5-4-6-23(20)24/h4-11,16,18H,12-15,17H2,1-3H3,(H2,30,31,34,35,36) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >5.02E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
In vitro binding affinity against matrix metalloprotease 13 |
Bioorg Med Chem Lett 15: 2970-3 (2005)
Article DOI: 10.1016/j.bmcl.2005.04.039
BindingDB Entry DOI: 10.7270/Q2028R2B |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50167501
(5-[4-(2,2-Dimethyl-propionyl)-piperazin-1-yl]-5-[4...)Show SMILES Cc1cc(COc2ccc(cc2)C2(N3CCN(CC3)C(=O)C(C)(C)C)C(=O)NC(=O)NC2=O)c2ccccc2n1 Show InChI InChI=1S/C30H33N5O5/c1-19-17-20(23-7-5-6-8-24(23)31-19)18-40-22-11-9-21(10-12-22)30(25(36)32-28(39)33-26(30)37)35-15-13-34(14-16-35)27(38)29(2,3)4/h5-12,17H,13-16,18H2,1-4H3,(H2,32,33,36,37,39) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >5.02E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
In vitro binding affinity against matrix metalloprotease 13 |
Bioorg Med Chem Lett 15: 2970-3 (2005)
Article DOI: 10.1016/j.bmcl.2005.04.039
BindingDB Entry DOI: 10.7270/Q2028R2B |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50167485
(5-Methyl-5-[4-(2-methyl-quinolin-4-ylmethoxy)-phen...)Show SMILES Cc1cc(COc2ccc(cc2)C2(C)C(=O)NC(=O)NC2=O)c2ccccc2n1 Show InChI InChI=1S/C22H19N3O4/c1-13-11-14(17-5-3-4-6-18(17)23-13)12-29-16-9-7-15(8-10-16)22(2)19(26)24-21(28)25-20(22)27/h3-11H,12H2,1-2H3,(H2,24,25,26,27,28) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 5.02E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
In vitro binding affinity against matrix metalloprotease 13 |
Bioorg Med Chem Lett 15: 2970-3 (2005)
Article DOI: 10.1016/j.bmcl.2005.04.039
BindingDB Entry DOI: 10.7270/Q2028R2B |
More data for this
Ligand-Target Pair | |
Collagenase 3
(Homo sapiens (Human)) | BDBM50167486
(5-(4-Methyl-piperazin-1-yl)-5-[4-(2-methyl-quinoli...)Show SMILES CN1CCN(CC1)C1(C(=O)NC(=O)NC1=O)c1ccc(OCc2cc(C)nc3ccccc23)cc1 Show InChI InChI=1S/C26H27N5O4/c1-17-15-18(21-5-3-4-6-22(21)27-17)16-35-20-9-7-19(8-10-20)26(31-13-11-30(2)12-14-31)23(32)28-25(34)29-24(26)33/h3-10,15H,11-14,16H2,1-2H3,(H2,28,29,32,33,34) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >5.02E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
In vitro binding affinity against matrix metalloprotease 13 |
Bioorg Med Chem Lett 15: 2970-3 (2005)
Article DOI: 10.1016/j.bmcl.2005.04.039
BindingDB Entry DOI: 10.7270/Q2028R2B |
More data for this
Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50167488
(5-(4-Hexyl-piperazin-1-yl)-5-[4-(2-methyl-quinolin...)Show SMILES CCCCCCN1CCN(CC1)C1(C(=O)NC(=O)NC1=O)c1ccc(OCc2cc(C)nc3ccccc23)cc1 Show InChI InChI=1S/C31H37N5O4/c1-3-4-5-8-15-35-16-18-36(19-17-35)31(28(37)33-30(39)34-29(31)38)24-11-13-25(14-12-24)40-21-23-20-22(2)32-27-10-7-6-9-26(23)27/h6-7,9-14,20H,3-5,8,15-19,21H2,1-2H3,(H2,33,34,37,38,39) | 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 |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
In vitro inhibitory concentration against human tumor necrosis factor-alpha converting enzyme |
Bioorg Med Chem Lett 15: 2970-3 (2005)
Article DOI: 10.1016/j.bmcl.2005.04.039
BindingDB Entry DOI: 10.7270/Q2028R2B |
More data for this
Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50167494
(5-[4-(2-Methyl-quinolin-4-ylmethoxy)-phenyl]-5-(4-...)Show SMILES Cc1cc(COc2ccc(cc2)C2(N3CCN(CCc4ccccc4)CC3)C(=O)NC(=O)NC2=O)c2ccccc2n1 Show InChI InChI=1S/C33H33N5O4/c1-23-21-25(28-9-5-6-10-29(28)34-23)22-42-27-13-11-26(12-14-27)33(30(39)35-32(41)36-31(33)40)38-19-17-37(18-20-38)16-15-24-7-3-2-4-8-24/h2-14,21H,15-20,22H2,1H3,(H2,35,36,39,40,41) | 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 | 84 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
In vitro inhibitory concentration against human tumor necrosis factor-alpha converting enzyme |
Bioorg Med Chem Lett 15: 2970-3 (2005)
Article DOI: 10.1016/j.bmcl.2005.04.039
BindingDB Entry DOI: 10.7270/Q2028R2B |
More data for this
Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50167486
(5-(4-Methyl-piperazin-1-yl)-5-[4-(2-methyl-quinoli...)Show SMILES CN1CCN(CC1)C1(C(=O)NC(=O)NC1=O)c1ccc(OCc2cc(C)nc3ccccc23)cc1 Show InChI InChI=1S/C26H27N5O4/c1-17-15-18(21-5-3-4-6-22(21)27-17)16-35-20-9-7-19(8-10-20)26(31-13-11-30(2)12-14-31)23(32)28-25(34)29-24(26)33/h3-10,15H,11-14,16H2,1-2H3,(H2,28,29,32,33,34) | 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 | 91 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
In vitro inhibitory concentration against human tumor necrosis factor-alpha converting enzyme |
Bioorg Med Chem Lett 15: 2970-3 (2005)
Article DOI: 10.1016/j.bmcl.2005.04.039
BindingDB Entry DOI: 10.7270/Q2028R2B |
More data for this
Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50167492
(5-(4-Isopropyl-piperazin-1-yl)-5-[4-(2-methyl-quin...)Show SMILES CC(C)N1CCN(CC1)C1(C(=O)NC(=O)NC1=O)c1ccc(OCc2cc(C)nc3ccccc23)cc1 Show InChI InChI=1S/C28H31N5O4/c1-18(2)32-12-14-33(15-13-32)28(25(34)30-27(36)31-26(28)35)21-8-10-22(11-9-21)37-17-20-16-19(3)29-24-7-5-4-6-23(20)24/h4-11,16,18H,12-15,17H2,1-3H3,(H2,30,31,34,35,36) | 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 | 96 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
In vitro inhibitory concentration against human tumor necrosis factor-alpha converting enzyme |
Bioorg Med Chem Lett 15: 2970-3 (2005)
Article DOI: 10.1016/j.bmcl.2005.04.039
BindingDB Entry DOI: 10.7270/Q2028R2B |
More data for this
Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50167495
(5-[4-(2-Methyl-quinolin-4-ylmethoxy)-phenyl]-5-[4-...)Show SMILES Cc1cc(COc2ccc(cc2)C2(N3CCN(CCCc4ccccc4)CC3)C(=O)NC(=O)NC2=O)c2ccccc2n1 Show InChI InChI=1S/C34H35N5O4/c1-24-22-26(29-11-5-6-12-30(29)35-24)23-43-28-15-13-27(14-16-28)34(31(40)36-33(42)37-32(34)41)39-20-18-38(19-21-39)17-7-10-25-8-3-2-4-9-25/h2-6,8-9,11-16,22H,7,10,17-21,23H2,1H3,(H2,36,37,40,41,42) | 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 | 110 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
In vitro inhibitory concentration against human tumor necrosis factor-alpha converting enzyme |
Bioorg Med Chem Lett 15: 2970-3 (2005)
Article DOI: 10.1016/j.bmcl.2005.04.039
BindingDB Entry DOI: 10.7270/Q2028R2B |
More data for this
Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50167490
(4-{5-[4-(2-Methyl-quinolin-4-ylmethoxy)-phenyl]-2,...)Show SMILES Cc1cc(COc2ccc(cc2)C2(N3CCN(CC3)C(=O)OC(C)(C)C)C(=O)NC(=O)NC2=O)c2ccccc2n1 Show InChI InChI=1S/C30H33N5O6/c1-19-17-20(23-7-5-6-8-24(23)31-19)18-40-22-11-9-21(10-12-22)30(25(36)32-27(38)33-26(30)37)35-15-13-34(14-16-35)28(39)41-29(2,3)4/h5-12,17H,13-16,18H2,1-4H3,(H2,32,33,36,37,38) | 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 | 160 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
In vitro inhibitory concentration against human tumor necrosis factor-alpha converting enzyme |
Bioorg Med Chem Lett 15: 2970-3 (2005)
Article DOI: 10.1016/j.bmcl.2005.04.039
BindingDB Entry DOI: 10.7270/Q2028R2B |
More data for this
Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50167487
(5-[4-(2,2-Dimethyl-propyl)-piperazin-1-yl]-5-[4-(2...)Show SMILES Cc1cc(COc2ccc(cc2)C2(N3CCN(CC(C)(C)C)CC3)C(=O)NC(=O)NC2=O)c2ccccc2n1 Show InChI InChI=1S/C30H35N5O4/c1-20-17-21(24-7-5-6-8-25(24)31-20)18-39-23-11-9-22(10-12-23)30(26(36)32-28(38)33-27(30)37)35-15-13-34(14-16-35)19-29(2,3)4/h5-12,17H,13-16,18-19H2,1-4H3,(H2,32,33,36,37,38) | 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 | 160 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
In vitro inhibitory concentration against human tumor necrosis factor-alpha converting enzyme |
Bioorg Med Chem Lett 15: 2970-3 (2005)
Article DOI: 10.1016/j.bmcl.2005.04.039
BindingDB Entry DOI: 10.7270/Q2028R2B |
More data for this
Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50167499
(5-(4-Benzyl-piperazin-1-yl)-5-[4-(2-methyl-quinoli...)Show SMILES Cc1cc(COc2ccc(cc2)C2(N3CCN(Cc4ccccc4)CC3)C(=O)NC(=O)NC2=O)c2ccccc2n1 Show InChI InChI=1S/C32H31N5O4/c1-22-19-24(27-9-5-6-10-28(27)33-22)21-41-26-13-11-25(12-14-26)32(29(38)34-31(40)35-30(32)39)37-17-15-36(16-18-37)20-23-7-3-2-4-8-23/h2-14,19H,15-18,20-21H2,1H3,(H2,34,35,38,39,40) | 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 | 195 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
In vitro inhibitory concentration against human tumor necrosis factor-alpha converting enzyme |
Bioorg Med Chem Lett 15: 2970-3 (2005)
Article DOI: 10.1016/j.bmcl.2005.04.039
BindingDB Entry DOI: 10.7270/Q2028R2B |
More data for this
Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50167498
(5-(4-Methanesulfonyl-piperazin-1-yl)-5-[4-(2-methy...)Show SMILES Cc1cc(COc2ccc(cc2)C2(N3CCN(CC3)S(C)(=O)=O)C(=O)NC(=O)NC2=O)c2ccccc2n1 Show InChI InChI=1S/C26H27N5O6S/c1-17-15-18(21-5-3-4-6-22(21)27-17)16-37-20-9-7-19(8-10-20)26(23(32)28-25(34)29-24(26)33)30-11-13-31(14-12-30)38(2,35)36/h3-10,15H,11-14,16H2,1-2H3,(H2,28,29,32,33,34) | 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 | 275 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
In vitro inhibitory concentration against human tumor necrosis factor-alpha converting enzyme |
Bioorg Med Chem Lett 15: 2970-3 (2005)
Article DOI: 10.1016/j.bmcl.2005.04.039
BindingDB Entry DOI: 10.7270/Q2028R2B |
More data for this
Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50167497
(5-[4-(2-Methyl-quinolin-4-ylmethoxy)-phenyl]-5-mor...)Show SMILES Cc1cc(COc2ccc(cc2)C2(N3CCOCC3)C(=O)NC(=O)NC2=O)c2ccccc2n1 Show InChI InChI=1S/C25H24N4O5/c1-16-14-17(20-4-2-3-5-21(20)26-16)15-34-19-8-6-18(7-9-19)25(29-10-12-33-13-11-29)22(30)27-24(32)28-23(25)31/h2-9,14H,10-13,15H2,1H3,(H2,27,28,30,31,32) | 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 | 535 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
In vitro inhibitory concentration against human tumor necrosis factor-alpha converting enzyme |
Bioorg Med Chem Lett 15: 2970-3 (2005)
Article DOI: 10.1016/j.bmcl.2005.04.039
BindingDB Entry DOI: 10.7270/Q2028R2B |
More data for this
Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50167500
(5-[4-(4-Acetyl-phenyl)-piperazin-1-yl]-5-[4-(2-met...)Show SMILES CC(=O)c1ccc(cc1)N1CCN(CC1)C1(C(=O)NC(=O)NC1=O)c1ccc(OCc2cc(C)nc3ccccc23)cc1 Show InChI InChI=1S/C33H31N5O5/c1-21-19-24(28-5-3-4-6-29(28)34-21)20-43-27-13-9-25(10-14-27)33(30(40)35-32(42)36-31(33)41)38-17-15-37(16-18-38)26-11-7-23(8-12-26)22(2)39/h3-14,19H,15-18,20H2,1-2H3,(H2,35,36,40,41,42) | 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 | 620 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
In vitro inhibitory concentration against human tumor necrosis factor-alpha converting enzyme |
Bioorg Med Chem Lett 15: 2970-3 (2005)
Article DOI: 10.1016/j.bmcl.2005.04.039
BindingDB Entry DOI: 10.7270/Q2028R2B |
More data for this
Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50167491
(5-[4-(2-Methyl-quinolin-4-ylmethoxy)-phenyl]-5-pip...)Show SMILES Cc1cc(COc2ccc(cc2)C2(N3CCCCC3)C(=O)NC(=O)NC2=O)c2ccccc2n1 Show InChI InChI=1S/C26H26N4O4/c1-17-15-18(21-7-3-4-8-22(21)27-17)16-34-20-11-9-19(10-12-20)26(30-13-5-2-6-14-30)23(31)28-25(33)29-24(26)32/h3-4,7-12,15H,2,5-6,13-14,16H2,1H3,(H2,28,29,31,32,33) | 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 | 855 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
In vitro inhibitory concentration against human tumor necrosis factor-alpha converting enzyme |
Bioorg Med Chem Lett 15: 2970-3 (2005)
Article DOI: 10.1016/j.bmcl.2005.04.039
BindingDB Entry DOI: 10.7270/Q2028R2B |
More data for this
Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50167485
(5-Methyl-5-[4-(2-methyl-quinolin-4-ylmethoxy)-phen...)Show SMILES Cc1cc(COc2ccc(cc2)C2(C)C(=O)NC(=O)NC2=O)c2ccccc2n1 Show InChI InChI=1S/C22H19N3O4/c1-13-11-14(17-5-3-4-6-18(17)23-13)12-29-16-9-7-15(8-10-16)22(2)19(26)24-21(28)25-20(22)27/h3-11H,12H2,1-2H3,(H2,24,25,26,27,28) | 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 | 1.03E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
In vitro inhibitory concentration against human tumor necrosis factor-alpha converting enzyme |
Bioorg Med Chem Lett 15: 2970-3 (2005)
Article DOI: 10.1016/j.bmcl.2005.04.039
BindingDB Entry DOI: 10.7270/Q2028R2B |
More data for this
Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50167484
(5-[4-(2-Methyl-quinolin-4-ylmethoxy)-phenyl]-5-pip...)Show SMILES Cc1cc(COc2ccc(cc2)C2(N3CCNCC3)C(=O)NC(=O)NC2=O)c2ccccc2n1 Show InChI InChI=1S/C25H25N5O4/c1-16-14-17(20-4-2-3-5-21(20)27-16)15-34-19-8-6-18(7-9-19)25(30-12-10-26-11-13-30)22(31)28-24(33)29-23(25)32/h2-9,14,26H,10-13,15H2,1H3,(H2,28,29,31,32,33) | 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 | 1.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
In vitro inhibitory concentration against human tumor necrosis factor-alpha converting enzyme |
Bioorg Med Chem Lett 15: 2970-3 (2005)
Article DOI: 10.1016/j.bmcl.2005.04.039
BindingDB Entry DOI: 10.7270/Q2028R2B |
More data for this
Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50167483
(5-[4-(2-Methyl-quinolin-4-ylmethoxy)-phenyl]-5-[4-...)Show SMILES Cc1cc(COc2ccc(cc2)C2(N3CCN(CC3)c3ccc(cc3)[N+]([O-])=O)C(=O)NC(=O)NC2=O)c2ccccc2n1 Show InChI InChI=1S/C31H28N6O6/c1-20-18-21(26-4-2-3-5-27(26)32-20)19-43-25-12-6-22(7-13-25)31(28(38)33-30(40)34-29(31)39)36-16-14-35(15-17-36)23-8-10-24(11-9-23)37(41)42/h2-13,18H,14-17,19H2,1H3,(H2,33,34,38,39,40) | 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 | 2.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
In vitro inhibitory concentration against human tumor necrosis factor-alpha converting enzyme |
Bioorg Med Chem Lett 15: 2970-3 (2005)
Article DOI: 10.1016/j.bmcl.2005.04.039
BindingDB Entry DOI: 10.7270/Q2028R2B |
More data for this
Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50167501
(5-[4-(2,2-Dimethyl-propionyl)-piperazin-1-yl]-5-[4...)Show SMILES Cc1cc(COc2ccc(cc2)C2(N3CCN(CC3)C(=O)C(C)(C)C)C(=O)NC(=O)NC2=O)c2ccccc2n1 Show InChI InChI=1S/C30H33N5O5/c1-19-17-20(23-7-5-6-8-24(23)31-19)18-40-22-11-9-21(10-12-22)30(25(36)32-28(39)33-26(30)37)35-15-13-34(14-16-35)27(38)29(2,3)4/h5-12,17H,13-16,18H2,1-4H3,(H2,32,33,36,37,39) | 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 | 5.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
In vitro inhibitory concentration against human tumor necrosis factor-alpha converting enzyme |
Bioorg Med Chem Lett 15: 2970-3 (2005)
Article DOI: 10.1016/j.bmcl.2005.04.039
BindingDB Entry DOI: 10.7270/Q2028R2B |
More data for this
Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50167496
(5-Methyl-5-[6-(2-methyl-quinolin-4-ylmethoxy)-naph...)Show SMILES Cc1cc(COc2ccc3cc(ccc3c2)C2(C)C(=O)NC(=O)NC2=O)c2ccccc2n1 Show InChI InChI=1S/C26H21N3O4/c1-15-11-18(21-5-3-4-6-22(21)27-15)14-33-20-10-8-16-12-19(9-7-17(16)13-20)26(2)23(30)28-25(32)29-24(26)31/h3-13H,14H2,1-2H3,(H2,28,29,30,31,32) | 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+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
In vitro inhibitory concentration against human tumor necrosis factor-alpha converting enzyme |
Bioorg Med Chem Lett 15: 2970-3 (2005)
Article DOI: 10.1016/j.bmcl.2005.04.039
BindingDB Entry DOI: 10.7270/Q2028R2B |
More data for this
Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50167489
(5-(4-Benzyloxy-phenyl)-5-methyl-pyrimidine-2,4,6-t...)Show InChI InChI=1S/C18H16N2O4/c1-18(15(21)19-17(23)20-16(18)22)13-7-9-14(10-8-13)24-11-12-5-3-2-4-6-12/h2-10H,11H2,1H3,(H2,19,20,21,22,23) | 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+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
In vitro inhibitory concentration against human tumor necrosis factor-alpha converting enzyme |
Bioorg Med Chem Lett 15: 2970-3 (2005)
Article DOI: 10.1016/j.bmcl.2005.04.039
BindingDB Entry DOI: 10.7270/Q2028R2B |
More data for this
Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50167493
(5-(4-Hydroxy-phenyl)-5-methyl-pyrimidine-2,4,6-tri...)Show InChI InChI=1S/C11H10N2O4/c1-11(6-2-4-7(14)5-3-6)8(15)12-10(17)13-9(11)16/h2-5,14H,1H3,(H2,12,13,15,16,17) | 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+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
In vitro inhibitory concentration against human tumor necrosis factor-alpha converting enzyme |
Bioorg Med Chem Lett 15: 2970-3 (2005)
Article DOI: 10.1016/j.bmcl.2005.04.039
BindingDB Entry DOI: 10.7270/Q2028R2B |
More data for this
Ligand-Target Pair | |
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