Found 2770 hits with Last Name = 'maccoss' and Initial = 'm' 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 |
|---|
Stromelysin-1
(Homo sapiens (Human)) | BDBM50289127
((2S,4R)-4-(3-Methyl-1-phenylcarbamoyl-butylcarbamo...)Show SMILES CCCc1ccc(CC[C@H](C[C@H](CCCCN2Cc3ccccc3C2=O)C(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)Nc2ccccc2)cc1 Show InChI InChI=1S/C40H51N3O5/c1-4-12-29-18-20-30(21-19-29)22-23-31(37(44)42-36(25-28(2)3)38(45)41-34-15-6-5-7-16-34)26-32(40(47)48)13-10-11-24-43-27-33-14-8-9-17-35(33)39(43)46/h5-9,14-21,28,31-32,36H,4,10-13,22-27H2,1-3H3,(H,41,45)(H,42,44)(H,47,48)/t31-,32+,36+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 0.360 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of matrix metalloproteinase-3(MMP-3). |
Bioorg Med Chem Lett 6: 803-806 (1996)
Article DOI: 10.1016/0960-894X(96)00109-6
BindingDB Entry DOI: 10.7270/Q2HM58FH |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Rattus norvegicus (rat)) | BDBM50071484
(CHEMBL308148 | N-[(R)-4-(4-Acetylamino-4-phenyl-pi...)Show SMILES CN(C[C@@H](CCN1CCC(CC1)(NC(C)=O)c1ccccc1)c1ccc(Cl)c(Cl)c1)C(=O)c1ccccc1 Show InChI InChI=1S/C31H35Cl2N3O2/c1-23(37)34-31(27-11-7-4-8-12-27)16-19-36(20-17-31)18-15-26(25-13-14-28(32)29(33)21-25)22-35(2)30(38)24-9-5-3-6-10-24/h3-14,21,26H,15-20,22H2,1-2H3,(H,34,37)/t26-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
| 0.510 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Tested in vitro to inhibit the binding of [125I]-NKA to its receptor in rat duodenum membrane |
Bioorg Med Chem Lett 3: 319-322 (1993)
Article DOI: 10.1016/S0960-894X(01)80901-X
BindingDB Entry DOI: 10.7270/Q2CR5T9G |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50088301
((E)-N,N-dimethyl-N-(4-(2-p-tolyl-6,7-dihydro-5H-be...)Show SMILES Cc1ccc(cc1)-c1ccc2CCCC(=Cc2c1)C(=O)Nc1ccc(C[N+](C)(C)C2CCOCC2)cc1 |c:15| Show InChI InChI=1S/C33H38N2O2/c1-24-7-11-27(12-8-24)28-14-13-26-5-4-6-29(22-30(26)21-28)33(36)34-31-15-9-25(10-16-31)23-35(2,3)32-17-19-37-20-18-32/h7-16,21-22,32H,4-6,17-20,23H2,1-3H3/p+1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| PubMed
| 1.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibitory activity of the compound against specific binding of [125I]-MIP-1 alpha to human CCR5 receptor |
Bioorg Med Chem Lett 11: 265-70 (2001)
BindingDB Entry DOI: 10.7270/Q2668CFZ |
More data for this
Ligand-Target Pair | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50289128
((R)-6-(1,3-Dioxo-1,3-dihydro-isoindol-2-yl)-2-[(S)...)Show SMILES CCCc1ccc(CC[C@H](N[C@H](CCCCN2C(=O)c3ccccc3C2=O)C(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)Nc2ccccc2)cc1 Show InChI InChI=1S/C39H48N4O6/c1-4-12-27-18-20-28(21-19-27)22-23-32(35(44)42-34(25-26(2)3)36(45)40-29-13-6-5-7-14-29)41-33(39(48)49)17-10-11-24-43-37(46)30-15-8-9-16-31(30)38(43)47/h5-9,13-16,18-21,26,32-34,41H,4,10-12,17,22-25H2,1-3H3,(H,40,45)(H,42,44)(H,48,49)/t32-,33+,34-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 1.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of matrix metalloproteinase-3(MMP-3). |
Bioorg Med Chem Lett 6: 803-806 (1996)
Article DOI: 10.1016/0960-894X(96)00109-6
BindingDB Entry DOI: 10.7270/Q2HM58FH |
More data for this
Ligand-Target Pair | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50057050
((2S,4R)-2-Butyl-4-[(S)-2,2-dimethyl-1-(pyridin-4-y...)Show SMILES CCCC[C@@H](C[C@@H](CCc1ccc(cc1)-c1ccc(F)cc1)C(=O)N[C@H](C(=O)Nc1ccncc1)C(C)(C)C)C(O)=O Show InChI InChI=1S/C34H42FN3O4/c1-5-6-7-27(33(41)42)22-26(13-10-23-8-11-24(12-9-23)25-14-16-28(35)17-15-25)31(39)38-30(34(2,3)4)32(40)37-29-18-20-36-21-19-29/h8-9,11-12,14-21,26-27,30H,5-7,10,13,22H2,1-4H3,(H,38,39)(H,41,42)(H,36,37,40)/t26-,27+,30-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human stromelysin-1 (Matrix metalloproteinase-3) |
J Med Chem 40: 1026-40 (1997)
Article DOI: 10.1021/jm960465t
BindingDB Entry DOI: 10.7270/Q2H70DXR |
More data for this
Ligand-Target Pair | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50057073
((2S,4R)-6-(4'-Fluoro-biphenyl-4-yl)-4-((S)-3-methy...)Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCc1ccc(cc1)-c1ccc(F)cc1)C[C@H](CCCCN1Cc2ccccc2C1=O)C(O)=O)C(=O)Nc1ccccc1 Show InChI InChI=1S/C43H48FN3O5/c1-29(2)26-39(41(49)45-37-12-4-3-5-13-37)46-40(48)33(20-17-30-15-18-31(19-16-30)32-21-23-36(44)24-22-32)27-34(43(51)52)10-8-9-25-47-28-35-11-6-7-14-38(35)42(47)50/h3-7,11-16,18-19,21-24,29,33-34,39H,8-10,17,20,25-28H2,1-2H3,(H,45,49)(H,46,48)(H,51,52)/t33-,34+,39+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| MMDB
PDB
Article
PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human stromelysin-1 (Matrix metalloproteinase-3) |
J Med Chem 40: 1026-40 (1997)
Article DOI: 10.1021/jm960465t
BindingDB Entry DOI: 10.7270/Q2H70DXR |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50285557
((R)-2-[(S)-3-(4-butyl-phenyl)-1-((S)-4-guanidino-1...)Show SMILES [#6]-[#6]-[#6]-[#6]-c1ccc(-[#6]-[#6]-[#6@H](-[#7]-[#6@H](-[#6])-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-c2ccccc2)cc1 Show InChI InChI=1S/C29H42N6O4/c1-3-4-9-21-13-15-22(16-14-21)17-18-25(33-20(2)28(38)39)27(37)35-24(12-8-19-32-29(30)31)26(36)34-23-10-6-5-7-11-23/h5-7,10-11,13-16,20,24-25,33H,3-4,8-9,12,17-19H2,1-2H3,(H,34,36)(H,35,37)(H,38,39)(H4,30,31,32)/t20-,24+,25+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 2.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory activity against human gelatinase-A (MMP-2) |
Bioorg Med Chem Lett 5: 2441-2446 (1995)
Article DOI: 10.1016/0960-894X(95)00425-S
BindingDB Entry DOI: 10.7270/Q2D21XK6 |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50289128
((R)-6-(1,3-Dioxo-1,3-dihydro-isoindol-2-yl)-2-[(S)...)Show SMILES CCCc1ccc(CC[C@H](N[C@H](CCCCN2C(=O)c3ccccc3C2=O)C(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)Nc2ccccc2)cc1 Show InChI InChI=1S/C39H48N4O6/c1-4-12-27-18-20-28(21-19-27)22-23-32(35(44)42-34(25-26(2)3)36(45)40-29-13-6-5-7-14-29)41-33(39(48)49)17-10-11-24-43-37(46)30-15-8-9-16-31(30)38(43)47/h5-9,13-16,18-21,26,32-34,41H,4,10-12,17,22-25H2,1-3H3,(H,40,45)(H,42,44)(H,48,49)/t32-,33+,34-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 2.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of matrix metalloproteinase-2(MMP-2) |
Bioorg Med Chem Lett 6: 803-806 (1996)
Article DOI: 10.1016/0960-894X(96)00109-6
BindingDB Entry DOI: 10.7270/Q2HM58FH |
More data for this
Ligand-Target Pair | |
Caspase-1
(Homo sapiens (Human)) | BDBM50282978
(3-{(S)-2-[(S)-3-Methyl-2-(3-phenyl-propionylamino)...)Show SMILES CC(C)[C@H](NC(=O)CCc1ccccc1)C(=O)N[C@@H](C)C(=O)NC(CC(O)=O)C(=O)COC(=O)CCc1ccccc1 Show InChI InChI=1S/C31H39N3O8/c1-20(2)29(34-26(36)16-14-22-10-6-4-7-11-22)31(41)32-21(3)30(40)33-24(18-27(37)38)25(35)19-42-28(39)17-15-23-12-8-5-9-13-23/h4-13,20-21,24,29H,14-19H2,1-3H3,(H,32,41)(H,33,40)(H,34,36)(H,37,38)/t21-,24?,29-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
| 2.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Tested for inhibition of cysteine proteinase IL-1 beta converting enzyme (ICE) |
Bioorg Med Chem Lett 4: 1965-1968 (1994)
Article DOI: 10.1016/S0960-894X(01)80544-8
BindingDB Entry DOI: 10.7270/Q24M94GD |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50285567
((R)-2-[(S)-1-((S)-4-guanidino-1-phenylcarbamoyl-bu...)Show SMILES [#6]-[#6]-[#6]-c1ccc(-[#6]-[#6]-[#6@H](-[#7]-[#6@H](-[#6])-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-c2ccccc2)cc1 Show InChI InChI=1S/C28H40N6O4/c1-3-8-20-12-14-21(15-13-20)16-17-24(32-19(2)27(37)38)26(36)34-23(11-7-18-31-28(29)30)25(35)33-22-9-5-4-6-10-22/h4-6,9-10,12-15,19,23-24,32H,3,7-8,11,16-18H2,1-2H3,(H,33,35)(H,34,36)(H,37,38)(H4,29,30,31)/t19-,23+,24+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory activity against human gelatinase-A (MMP-2) |
Bioorg Med Chem Lett 5: 2441-2446 (1995)
Article DOI: 10.1016/0960-894X(95)00425-S
BindingDB Entry DOI: 10.7270/Q2D21XK6 |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50057090
((R)-2-((S)-1-((S)-4-methyl-1-oxo-1-(phenylamino)pe...)Show SMILES CCCc1ccc(CC[C@H](N[C@H](C)C(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)Nc2ccccc2)cc1 Show InChI InChI=1S/C28H39N3O4/c1-5-9-21-12-14-22(15-13-21)16-17-24(29-20(4)28(34)35)26(32)31-25(18-19(2)3)27(33)30-23-10-7-6-8-11-23/h6-8,10-15,19-20,24-25,29H,5,9,16-18H2,1-4H3,(H,30,33)(H,31,32)(H,34,35)/t20-,24+,25+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 3.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory activity against human gelatinase-A (MMP-2) |
Bioorg Med Chem Lett 5: 2441-2446 (1995)
Article DOI: 10.1016/0960-894X(95)00425-S
BindingDB Entry DOI: 10.7270/Q2D21XK6 |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50057090
((R)-2-((S)-1-((S)-4-methyl-1-oxo-1-(phenylamino)pe...)Show SMILES CCCc1ccc(CC[C@H](N[C@H](C)C(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)Nc2ccccc2)cc1 Show InChI InChI=1S/C28H39N3O4/c1-5-9-21-12-14-22(15-13-21)16-17-24(29-20(4)28(34)35)26(32)31-25(18-19(2)3)27(33)30-23-10-7-6-8-11-23/h6-8,10-15,19-20,24-25,29H,5,9,16-18H2,1-4H3,(H,30,33)(H,31,32)(H,34,35)/t20-,24+,25+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 3.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of matrix metalloproteinase-2(MMP-2) |
Bioorg Med Chem Lett 6: 803-806 (1996)
Article DOI: 10.1016/0960-894X(96)00109-6
BindingDB Entry DOI: 10.7270/Q2HM58FH |
More data for this
Ligand-Target Pair | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50057063
((2S,4R)-2-Butyl-4-((S)-2,2-dimethyl-1-phenylcarbam...)Show SMILES CCCC[C@@H](C[C@@H](CCc1ccc(cc1)-c1ccc(F)cc1)C(=O)N[C@H](C(=O)Nc1ccccc1)C(C)(C)C)C(O)=O Show InChI InChI=1S/C35H43FN2O4/c1-5-6-10-28(34(41)42)23-27(18-15-24-13-16-25(17-14-24)26-19-21-29(36)22-20-26)32(39)38-31(35(2,3)4)33(40)37-30-11-8-7-9-12-30/h7-9,11-14,16-17,19-22,27-28,31H,5-6,10,15,18,23H2,1-4H3,(H,37,40)(H,38,39)(H,41,42)/t27-,28+,31-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human stromelysin-1 (Matrix metalloproteinase-3) |
J Med Chem 40: 1026-40 (1997)
Article DOI: 10.1021/jm960465t
BindingDB Entry DOI: 10.7270/Q2H70DXR |
More data for this
Ligand-Target Pair | |
Caspase-1
(Homo sapiens (Human)) | BDBM50282981
(3-{(S)-2-[(S)-3-Methyl-2-(3-phenyl-propionylamino)...)Show SMILES CC(C)[C@H](NC(=O)CCc1ccccc1)C(=O)N[C@@H](C)C(=O)NC(CC(O)=O)C(=O)CNCCc1ccccc1 Show InChI InChI=1S/C30H40N4O6/c1-20(2)28(34-26(36)15-14-22-10-6-4-7-11-22)30(40)32-21(3)29(39)33-24(18-27(37)38)25(35)19-31-17-16-23-12-8-5-9-13-23/h4-13,20-21,24,28,31H,14-19H2,1-3H3,(H,32,40)(H,33,39)(H,34,36)(H,37,38)/t21-,24?,28-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 4.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Tested for inhibition of cysteine proteinase IL-1 beta converting enzyme (ICE) |
Bioorg Med Chem Lett 4: 1965-1968 (1994)
Article DOI: 10.1016/S0960-894X(01)80544-8
BindingDB Entry DOI: 10.7270/Q24M94GD |
More data for this
Ligand-Target Pair | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50057041
((2S,4R)-2-Butyl-4-((S)-2,2-dimethyl-1-methylcarbam...)Show SMILES CCCC[C@@H](C[C@@H](CCc1ccc(cc1)-c1ccc(SC)cc1)C(=O)N[C@H](C(=O)NC)C(C)(C)C)C(O)=O Show InChI InChI=1S/C31H44N2O4S/c1-7-8-9-25(30(36)37)20-24(28(34)33-27(29(35)32-5)31(2,3)4)15-12-21-10-13-22(14-11-21)23-16-18-26(38-6)19-17-23/h10-11,13-14,16-19,24-25,27H,7-9,12,15,20H2,1-6H3,(H,32,35)(H,33,34)(H,36,37)/t24-,25+,27-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human stromelysin-1 (Matrix metalloproteinase-3) |
J Med Chem 40: 1026-40 (1997)
Article DOI: 10.1021/jm960465t
BindingDB Entry DOI: 10.7270/Q2H70DXR |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50289127
((2S,4R)-4-(3-Methyl-1-phenylcarbamoyl-butylcarbamo...)Show SMILES CCCc1ccc(CC[C@H](C[C@H](CCCCN2Cc3ccccc3C2=O)C(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)Nc2ccccc2)cc1 Show InChI InChI=1S/C40H51N3O5/c1-4-12-29-18-20-30(21-19-29)22-23-31(37(44)42-36(25-28(2)3)38(45)41-34-15-6-5-7-16-34)26-32(40(47)48)13-10-11-24-43-27-33-14-8-9-17-35(33)39(43)46/h5-9,14-21,28,31-32,36H,4,10-13,22-27H2,1-3H3,(H,41,45)(H,42,44)(H,47,48)/t31-,32+,36+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 5.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of matrix metalloproteinase-2(MMP-2) |
Bioorg Med Chem Lett 6: 803-806 (1996)
Article DOI: 10.1016/0960-894X(96)00109-6
BindingDB Entry DOI: 10.7270/Q2HM58FH |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50285573
((R)-2-[(S)-3-(4-ethoxy-phenyl)-1-((S)-4-guanidino-...)Show SMILES [#6]-[#6]-[#8]-c1ccc(-[#6]-[#6]-[#6@H](-[#7]-[#6@H](-[#6])-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-c2ccccc2)cc1 Show InChI InChI=1S/C27H38N6O5/c1-3-38-21-14-11-19(12-15-21)13-16-23(31-18(2)26(36)37)25(35)33-22(10-7-17-30-27(28)29)24(34)32-20-8-5-4-6-9-20/h4-6,8-9,11-12,14-15,18,22-23,31H,3,7,10,13,16-17H2,1-2H3,(H,32,34)(H,33,35)(H,36,37)(H4,28,29,30)/t18-,22+,23+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 6.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory activity against human gelatinase-A (MMP-2) |
Bioorg Med Chem Lett 5: 2441-2446 (1995)
Article DOI: 10.1016/0960-894X(95)00425-S
BindingDB Entry DOI: 10.7270/Q2D21XK6 |
More data for this
Ligand-Target Pair | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50288702
((R)-6-(1,3-Dioxo-1,3-dihydro-isoindol-2-yl)-2-[(S)...)Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCc1ccccc1)N[C@H](CCCCN1C(=O)c2ccccc2C1=O)C(O)=O)C(=O)Nc1ccccc1 Show InChI InChI=1S/C36H42N4O6/c1-24(2)23-31(33(42)37-26-15-7-4-8-16-26)39-32(41)29(21-20-25-13-5-3-6-14-25)38-30(36(45)46)19-11-12-22-40-34(43)27-17-9-10-18-28(27)35(40)44/h3-10,13-18,24,29-31,38H,11-12,19-23H2,1-2H3,(H,37,42)(H,39,41)(H,45,46)/t29-,30+,31-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of matrix metalloproteinase-3(MMP-3). |
Bioorg Med Chem Lett 6: 803-806 (1996)
Article DOI: 10.1016/0960-894X(96)00109-6
BindingDB Entry DOI: 10.7270/Q2HM58FH |
More data for this
Ligand-Target Pair | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50057061
((2S,4R)-2-Butyl-6-(4'-cyano-biphenyl-4-yl)-4-((S)-...)Show SMILES CCCC[C@@H](C[C@@H](CCc1ccc(cc1)-c1ccc(cc1)C#N)C(=O)N[C@H](C(=O)NC)C(C)(C)C)C(O)=O Show InChI InChI=1S/C31H41N3O4/c1-6-7-8-26(30(37)38)19-25(28(35)34-27(29(36)33-5)31(2,3)4)18-11-21-9-14-23(15-10-21)24-16-12-22(20-32)13-17-24/h9-10,12-17,25-27H,6-8,11,18-19H2,1-5H3,(H,33,36)(H,34,35)(H,37,38)/t25-,26+,27-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human stromelysin-1 (Matrix metalloproteinase-3) |
J Med Chem 40: 1026-40 (1997)
Article DOI: 10.1021/jm960465t
BindingDB Entry DOI: 10.7270/Q2H70DXR |
More data for this
Ligand-Target Pair | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50289123
((R)-2-[(S)-1-(3-Methyl-1-phenylcarbamoyl-butylcarb...)Show SMILES CCCc1ccc(CC[C@H](N[C@H](CCCCN2Cc3ccccc3C2=O)C(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)Nc2ccccc2)cc1 Show InChI InChI=1S/C39H50N4O5/c1-4-12-28-18-20-29(21-19-28)22-23-33(36(44)42-35(25-27(2)3)37(45)40-31-14-6-5-7-15-31)41-34(39(47)48)17-10-11-24-43-26-30-13-8-9-16-32(30)38(43)46/h5-9,13-16,18-21,27,33-35,41H,4,10-12,17,22-26H2,1-3H3,(H,40,45)(H,42,44)(H,47,48)/t33-,34+,35-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 9.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of matrix metalloproteinase-3(MMP-3). |
Bioorg Med Chem Lett 6: 803-806 (1996)
Article DOI: 10.1016/0960-894X(96)00109-6
BindingDB Entry DOI: 10.7270/Q2HM58FH |
More data for this
Ligand-Target Pair | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50057074
((2S,4R)-2-Butyl-4-((S)-2,2-dimethyl-1-methylcarbam...)Show SMILES CCCC[C@@H](C[C@@H](CCc1ccc(cc1)-c1ccc(F)cc1)C(=O)N[C@H](C(=O)NC)C(C)(C)C)C(O)=O Show InChI InChI=1S/C30H41FN2O4/c1-6-7-8-24(29(36)37)19-23(27(34)33-26(28(35)32-5)30(2,3)4)14-11-20-9-12-21(13-10-20)22-15-17-25(31)18-16-22/h9-10,12-13,15-18,23-24,26H,6-8,11,14,19H2,1-5H3,(H,32,35)(H,33,34)(H,36,37)/t23-,24+,26-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human stromelysin-1 (Matrix metalloproteinase-3) |
J Med Chem 40: 1026-40 (1997)
Article DOI: 10.1021/jm960465t
BindingDB Entry DOI: 10.7270/Q2H70DXR |
More data for this
Ligand-Target Pair | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50057046
((2S,4R)-2-Butyl-6-(2'-tert-butylsulfamoyl-biphenyl...)Show SMILES CCCC[C@@H](C[C@@H](CCc1ccc(cc1)-c1ccccc1S(=O)(=O)NC(C)(C)C)C(=O)N[C@H](C(=O)NC)C(C)(C)C)C(O)=O Show InChI InChI=1S/C34H51N3O6S/c1-9-10-13-26(32(40)41)22-25(30(38)36-29(31(39)35-8)33(2,3)4)21-18-23-16-19-24(20-17-23)27-14-11-12-15-28(27)44(42,43)37-34(5,6)7/h11-12,14-17,19-20,25-26,29,37H,9-10,13,18,21-22H2,1-8H3,(H,35,39)(H,36,38)(H,40,41)/t25-,26+,29-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human stromelysin-1 (Matrix metalloproteinase-3) |
J Med Chem 40: 1026-40 (1997)
Article DOI: 10.1021/jm960465t
BindingDB Entry DOI: 10.7270/Q2H70DXR |
More data for this
Ligand-Target Pair | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50057088
((2S,4R)-2-Butyl-4-((S)-2,2-dimethyl-1-methylcarbam...)Show SMILES CCCC[C@@H](C[C@@H](CCc1ccc(cc1)-c1ccccc1F)C(=O)N[C@H](C(=O)NC)C(C)(C)C)C(O)=O Show InChI InChI=1S/C30H41FN2O4/c1-6-7-10-23(29(36)37)19-22(27(34)33-26(28(35)32-5)30(2,3)4)18-15-20-13-16-21(17-14-20)24-11-8-9-12-25(24)31/h8-9,11-14,16-17,22-23,26H,6-7,10,15,18-19H2,1-5H3,(H,32,35)(H,33,34)(H,36,37)/t22-,23+,26-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human stromelysin-1 (Matrix metalloproteinase-3) |
J Med Chem 40: 1026-40 (1997)
Article DOI: 10.1021/jm960465t
BindingDB Entry DOI: 10.7270/Q2H70DXR |
More data for this
Ligand-Target Pair | |
Caspase-1
(Homo sapiens (Human)) | BDBM50282984
(3-{(S)-2-[(S)-3-Methyl-2-(3-phenyl-propionylamino)...)Show SMILES CC(C)[C@H](NC(=O)CCc1ccccc1)C(=O)N[C@@H](C)C(=O)NC(CC(O)=O)C(=O)CSCCCc1ccccc1 Show InChI InChI=1S/C31H41N3O6S/c1-21(2)29(34-27(36)17-16-24-13-8-5-9-14-24)31(40)32-22(3)30(39)33-25(19-28(37)38)26(35)20-41-18-10-15-23-11-6-4-7-12-23/h4-9,11-14,21-22,25,29H,10,15-20H2,1-3H3,(H,32,40)(H,33,39)(H,34,36)(H,37,38)/t22-,25?,29-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Tested for inhibition of cysteine proteinase IL-1 beta converting enzyme (ICE) |
Bioorg Med Chem Lett 4: 1965-1968 (1994)
Article DOI: 10.1016/S0960-894X(01)80544-8
BindingDB Entry DOI: 10.7270/Q24M94GD |
More data for this
Ligand-Target Pair | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50057062
((2S,4R)-2-Butyl-4-[(S)-2,2-dimethyl-1-(pyridin-4-y...)Show SMILES CCCC[C@@H](C[C@@H](CCc1ccc(CCC)cc1)C(=O)N[C@H](C(=O)Nc1ccncc1)C(C)(C)C)C(O)=O Show InChI InChI=1S/C31H45N3O4/c1-6-8-10-25(30(37)38)21-24(16-15-23-13-11-22(9-7-2)12-14-23)28(35)34-27(31(3,4)5)29(36)33-26-17-19-32-20-18-26/h11-14,17-20,24-25,27H,6-10,15-16,21H2,1-5H3,(H,34,35)(H,37,38)(H,32,33,36)/t24-,25+,27-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human stromelysin-1 (Matrix metalloproteinase-3) |
J Med Chem 40: 1026-40 (1997)
Article DOI: 10.1021/jm960465t
BindingDB Entry DOI: 10.7270/Q2H70DXR |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50285559
((R)-2-((S)-4-(4-isobutylphenyl)-1-((S)-4-methyl-1-...)Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCc1ccc(CC(C)C)cc1)N[C@H](C)C(O)=O)C(=O)Nc1ccccc1 Show InChI InChI=1S/C29H41N3O4/c1-19(2)17-23-13-11-22(12-14-23)15-16-25(30-21(5)29(35)36)27(33)32-26(18-20(3)4)28(34)31-24-9-7-6-8-10-24/h6-14,19-21,25-26,30H,15-18H2,1-5H3,(H,31,34)(H,32,33)(H,35,36)/t21-,25+,26+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory activity against human gelatinase-A (MMP-2) |
Bioorg Med Chem Lett 5: 2441-2446 (1995)
Article DOI: 10.1016/0960-894X(95)00425-S
BindingDB Entry DOI: 10.7270/Q2D21XK6 |
More data for this
Ligand-Target Pair | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50057039
((2S,4R)-6-(4'-Bromo-biphenyl-4-yl)-2-butyl-4-((S)-...)Show SMILES CCCC[C@@H](C[C@@H](CCc1ccc(cc1)-c1ccc(Br)cc1)C(=O)N[C@H](C(=O)NC)C(C)(C)C)C(O)=O Show InChI InChI=1S/C30H41BrN2O4/c1-6-7-8-24(29(36)37)19-23(27(34)33-26(28(35)32-5)30(2,3)4)14-11-20-9-12-21(13-10-20)22-15-17-25(31)18-16-22/h9-10,12-13,15-18,23-24,26H,6-8,11,14,19H2,1-5H3,(H,32,35)(H,33,34)(H,36,37)/t23-,24+,26-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human stromelysin-1 (Matrix metalloproteinase-3) |
J Med Chem 40: 1026-40 (1997)
Article DOI: 10.1021/jm960465t
BindingDB Entry DOI: 10.7270/Q2H70DXR |
More data for this
Ligand-Target Pair | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50057054
((2S,4R)-2-Butyl-4-((S)-2,2-dimethyl-1-methylcarbam...)Show SMILES CCCC[C@@H](C[C@@H](CCc1ccc(cc1)-c1cc2ccccc2[nH]1)C(=O)N[C@H](C(=O)NC)C(C)(C)C)C(O)=O Show InChI InChI=1S/C32H43N3O4/c1-6-7-10-25(31(38)39)19-24(29(36)35-28(30(37)33-5)32(2,3)4)18-15-21-13-16-22(17-14-21)27-20-23-11-8-9-12-26(23)34-27/h8-9,11-14,16-17,20,24-25,28,34H,6-7,10,15,18-19H2,1-5H3,(H,33,37)(H,35,36)(H,38,39)/t24-,25+,28-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human stromelysin-1 (Matrix metalloproteinase-3) |
J Med Chem 40: 1026-40 (1997)
Article DOI: 10.1021/jm960465t
BindingDB Entry DOI: 10.7270/Q2H70DXR |
More data for this
Ligand-Target Pair | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50057076
((2S,4R)-2-Butyl-6-(2',4'-dichloro-biphenyl-4-yl)-4...)Show SMILES CCCC[C@@H](C[C@@H](CCc1ccc(cc1)-c1ccc(Cl)cc1Cl)C(=O)N[C@H](C(=O)NC)C(C)(C)C)C(O)=O Show InChI InChI=1S/C30H40Cl2N2O4/c1-6-7-8-22(29(37)38)17-21(27(35)34-26(28(36)33-5)30(2,3)4)14-11-19-9-12-20(13-10-19)24-16-15-23(31)18-25(24)32/h9-10,12-13,15-16,18,21-22,26H,6-8,11,14,17H2,1-5H3,(H,33,36)(H,34,35)(H,37,38)/t21-,22+,26-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human stromelysin-1 (Matrix metalloproteinase-3) |
J Med Chem 40: 1026-40 (1997)
Article DOI: 10.1021/jm960465t
BindingDB Entry DOI: 10.7270/Q2H70DXR |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50285564
((R)-2-((S)-4-(4-ethylphenyl)-1-((S)-4-methyl-1-oxo...)Show SMILES CCc1ccc(CC[C@H](N[C@H](C)C(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)Nc2ccccc2)cc1 Show InChI InChI=1S/C27H37N3O4/c1-5-20-11-13-21(14-12-20)15-16-23(28-19(4)27(33)34)25(31)30-24(17-18(2)3)26(32)29-22-9-7-6-8-10-22/h6-14,18-19,23-24,28H,5,15-17H2,1-4H3,(H,29,32)(H,30,31)(H,33,34)/t19-,23+,24+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory activity against human gelatinase-A (MMP-2) |
Bioorg Med Chem Lett 5: 2441-2446 (1995)
Article DOI: 10.1016/0960-894X(95)00425-S
BindingDB Entry DOI: 10.7270/Q2D21XK6 |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50057041
((2S,4R)-2-Butyl-4-((S)-2,2-dimethyl-1-methylcarbam...)Show SMILES CCCC[C@@H](C[C@@H](CCc1ccc(cc1)-c1ccc(SC)cc1)C(=O)N[C@H](C(=O)NC)C(C)(C)C)C(O)=O Show InChI InChI=1S/C31H44N2O4S/c1-7-8-9-25(30(36)37)20-24(28(34)33-27(29(35)32-5)31(2,3)4)15-12-21-10-13-22(14-11-21)23-16-18-26(38-6)19-17-23/h10-11,13-14,16-19,24-25,27H,7-9,12,15,20H2,1-6H3,(H,32,35)(H,33,34)(H,36,37)/t24-,25+,27-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of gelatinase A (Matrix metalloproteinase-2) |
J Med Chem 40: 1026-40 (1997)
Article DOI: 10.1021/jm960465t
BindingDB Entry DOI: 10.7270/Q2H70DXR |
More data for this
Ligand-Target Pair | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50057075
((2S,4R)-2-Butyl-6-(4'-chloro-biphenyl-4-yl)-4-((S)...)Show SMILES CCCC[C@@H](C[C@@H](CCc1ccc(cc1)-c1ccc(Cl)cc1)C(=O)N[C@H](C(=O)NC)C(C)(C)C)C(O)=O Show InChI InChI=1S/C30H41ClN2O4/c1-6-7-8-24(29(36)37)19-23(27(34)33-26(28(35)32-5)30(2,3)4)14-11-20-9-12-21(13-10-20)22-15-17-25(31)18-16-22/h9-10,12-13,15-18,23-24,26H,6-8,11,14,19H2,1-5H3,(H,32,35)(H,33,34)(H,36,37)/t23-,24+,26-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human stromelysin-1 (Matrix metalloproteinase-3) |
J Med Chem 40: 1026-40 (1997)
Article DOI: 10.1021/jm960465t
BindingDB Entry DOI: 10.7270/Q2H70DXR |
More data for this
Ligand-Target Pair | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50057079
((2S,4R)-2-Butyl-4-((S)-2,2-dimethyl-1-methylcarbam...)Show SMILES CCCC[C@@H](C[C@@H](CCc1ccc(cc1)-c1ccc(OC)cc1)C(=O)N[C@H](C(=O)NC)C(C)(C)C)C(O)=O Show InChI InChI=1S/C31H44N2O5/c1-7-8-9-25(30(36)37)20-24(28(34)33-27(29(35)32-5)31(2,3)4)15-12-21-10-13-22(14-11-21)23-16-18-26(38-6)19-17-23/h10-11,13-14,16-19,24-25,27H,7-9,12,15,20H2,1-6H3,(H,32,35)(H,33,34)(H,36,37)/t24-,25+,27-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human stromelysin-1 (Matrix metalloproteinase-3) |
J Med Chem 40: 1026-40 (1997)
Article DOI: 10.1021/jm960465t
BindingDB Entry DOI: 10.7270/Q2H70DXR |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50057061
((2S,4R)-2-Butyl-6-(4'-cyano-biphenyl-4-yl)-4-((S)-...)Show SMILES CCCC[C@@H](C[C@@H](CCc1ccc(cc1)-c1ccc(cc1)C#N)C(=O)N[C@H](C(=O)NC)C(C)(C)C)C(O)=O Show InChI InChI=1S/C31H41N3O4/c1-6-7-8-26(30(37)38)19-25(28(35)34-27(29(36)33-5)31(2,3)4)18-11-21-9-14-23(15-10-21)24-16-12-22(20-32)13-17-24/h9-10,12-17,25-27H,6-8,11,18-19H2,1-5H3,(H,33,36)(H,34,35)(H,37,38)/t25-,26+,27-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 14 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of gelatinase A (Matrix metalloproteinase-2) |
J Med Chem 40: 1026-40 (1997)
Article DOI: 10.1021/jm960465t
BindingDB Entry DOI: 10.7270/Q2H70DXR |
More data for this
Ligand-Target Pair | |
Alpha-2A adrenergic receptor
(BOVINE) | BDBM50002151
(8-Piperazin-1-yl-imidazo[1,2-a]pyrazine | CHEMBL33...)Show InChI InChI=1S/C10H13N5/c1-5-14(6-2-11-1)9-10-13-4-8-15(10)7-3-12-9/h3-4,7-8,11H,1-2,5-6H2 | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| 15 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp and Dohme Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity at Alpha-2 adrenergic receptor in calf cerebral cortex homogenates by [3H]clonidine displacement. |
J Med Chem 35: 3845-57 (1992)
BindingDB Entry DOI: 10.7270/Q2PZ59FX |
More data for this
Ligand-Target Pair | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50057067
((2S,4R)-2-Butyl-4-((S)-2,2-dimethyl-1-methylcarbam...)Show SMILES CCCC[C@@H](C[C@@H](CCc1ccc(cc1)-c1ccc(C=O)cc1)C(=O)N[C@H](C(=O)NC)C(C)(C)C)C(O)=O Show InChI InChI=1S/C31H42N2O5/c1-6-7-8-26(30(37)38)19-25(28(35)33-27(29(36)32-5)31(2,3)4)18-11-21-9-14-23(15-10-21)24-16-12-22(20-34)13-17-24/h9-10,12-17,20,25-27H,6-8,11,18-19H2,1-5H3,(H,32,36)(H,33,35)(H,37,38)/t25-,26+,27-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 15 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human stromelysin-1 (Matrix metalloproteinase-3) |
J Med Chem 40: 1026-40 (1997)
Article DOI: 10.1021/jm960465t
BindingDB Entry DOI: 10.7270/Q2H70DXR |
More data for this
Ligand-Target Pair | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50057081
((2S,4R)-2-Butyl-4-((S)-2,2-dimethyl-1-methylcarbam...)Show SMILES CCCC[C@@H](C[C@@H](CCc1cccc(c1)-c1ccsc1)C(=O)N[C@H](C(=O)NC)C(C)(C)C)C(O)=O Show InChI InChI=1S/C28H40N2O4S/c1-6-7-10-22(27(33)34)17-21(25(31)30-24(26(32)29-5)28(2,3)4)13-12-19-9-8-11-20(16-19)23-14-15-35-18-23/h8-9,11,14-16,18,21-22,24H,6-7,10,12-13,17H2,1-5H3,(H,29,32)(H,30,31)(H,33,34)/t21-,22+,24-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 15 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human stromelysin-1 (Matrix metalloproteinase-3) |
J Med Chem 40: 1026-40 (1997)
Article DOI: 10.1021/jm960465t
BindingDB Entry DOI: 10.7270/Q2H70DXR |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50057067
((2S,4R)-2-Butyl-4-((S)-2,2-dimethyl-1-methylcarbam...)Show SMILES CCCC[C@@H](C[C@@H](CCc1ccc(cc1)-c1ccc(C=O)cc1)C(=O)N[C@H](C(=O)NC)C(C)(C)C)C(O)=O Show InChI InChI=1S/C31H42N2O5/c1-6-7-8-26(30(37)38)19-25(28(35)33-27(29(36)32-5)31(2,3)4)18-11-21-9-14-23(15-10-21)24-16-12-22(20-34)13-17-24/h9-10,12-17,20,25-27H,6-8,11,18-19H2,1-5H3,(H,32,36)(H,33,35)(H,37,38)/t25-,26+,27-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 16 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of gelatinase A (Matrix metalloproteinase-2) |
J Med Chem 40: 1026-40 (1997)
Article DOI: 10.1021/jm960465t
BindingDB Entry DOI: 10.7270/Q2H70DXR |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50057052
((2S,4R)-6-(4-Benzyl-phenyl)-2-butyl-4-((S)-2,2-dim...)Show SMILES CCCC[C@@H](C[C@@H](CCc1ccc(Cc2ccccc2)cc1)C(=O)N[C@H](C(=O)Nc1ccccc1)C(C)(C)C)C(O)=O Show InChI InChI=1S/C36H46N2O4/c1-5-6-15-30(35(41)42)25-29(23-22-26-18-20-28(21-19-26)24-27-13-9-7-10-14-27)33(39)38-32(36(2,3)4)34(40)37-31-16-11-8-12-17-31/h7-14,16-21,29-30,32H,5-6,15,22-25H2,1-4H3,(H,37,40)(H,38,39)(H,41,42)/t29-,30+,32-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 16 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of gelatinase A (Matrix metalloproteinase-2) |
J Med Chem 40: 1026-40 (1997)
Article DOI: 10.1021/jm960465t
BindingDB Entry DOI: 10.7270/Q2H70DXR |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50057039
((2S,4R)-6-(4'-Bromo-biphenyl-4-yl)-2-butyl-4-((S)-...)Show SMILES CCCC[C@@H](C[C@@H](CCc1ccc(cc1)-c1ccc(Br)cc1)C(=O)N[C@H](C(=O)NC)C(C)(C)C)C(O)=O Show InChI InChI=1S/C30H41BrN2O4/c1-6-7-8-24(29(36)37)19-23(27(34)33-26(28(35)32-5)30(2,3)4)14-11-20-9-12-21(13-10-20)22-15-17-25(31)18-16-22/h9-10,12-13,15-18,23-24,26H,6-8,11,14,19H2,1-5H3,(H,32,35)(H,33,34)(H,36,37)/t23-,24+,26-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 17 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of gelatinase A (Matrix metalloproteinase-2) |
J Med Chem 40: 1026-40 (1997)
Article DOI: 10.1021/jm960465t
BindingDB Entry DOI: 10.7270/Q2H70DXR |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50057074
((2S,4R)-2-Butyl-4-((S)-2,2-dimethyl-1-methylcarbam...)Show SMILES CCCC[C@@H](C[C@@H](CCc1ccc(cc1)-c1ccc(F)cc1)C(=O)N[C@H](C(=O)NC)C(C)(C)C)C(O)=O Show InChI InChI=1S/C30H41FN2O4/c1-6-7-8-24(29(36)37)19-23(27(34)33-26(28(35)32-5)30(2,3)4)14-11-20-9-12-21(13-10-20)22-15-17-25(31)18-16-22/h9-10,12-13,15-18,23-24,26H,6-8,11,14,19H2,1-5H3,(H,32,35)(H,33,34)(H,36,37)/t23-,24+,26-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 17 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of gelatinase A (Matrix metalloproteinase-2) |
J Med Chem 40: 1026-40 (1997)
Article DOI: 10.1021/jm960465t
BindingDB Entry DOI: 10.7270/Q2H70DXR |
More data for this
Ligand-Target Pair | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50057090
((R)-2-((S)-1-((S)-4-methyl-1-oxo-1-(phenylamino)pe...)Show SMILES CCCc1ccc(CC[C@H](N[C@H](C)C(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)Nc2ccccc2)cc1 Show InChI InChI=1S/C28H39N3O4/c1-5-9-21-12-14-22(15-13-21)16-17-24(29-20(4)28(34)35)26(32)31-25(18-19(2)3)27(33)30-23-10-7-6-8-11-23/h6-8,10-15,19-20,24-25,29H,5,9,16-18H2,1-4H3,(H,30,33)(H,31,32)(H,34,35)/t20-,24+,25+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 18 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human stromelysin-1 (Matrix metalloproteinase-3) |
J Med Chem 40: 1026-40 (1997)
Article DOI: 10.1021/jm960465t
BindingDB Entry DOI: 10.7270/Q2H70DXR |
More data for this
Ligand-Target Pair | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50057090
((R)-2-((S)-1-((S)-4-methyl-1-oxo-1-(phenylamino)pe...)Show SMILES CCCc1ccc(CC[C@H](N[C@H](C)C(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)Nc2ccccc2)cc1 Show InChI InChI=1S/C28H39N3O4/c1-5-9-21-12-14-22(15-13-21)16-17-24(29-20(4)28(34)35)26(32)31-25(18-19(2)3)27(33)30-23-10-7-6-8-11-23/h6-8,10-15,19-20,24-25,29H,5,9,16-18H2,1-4H3,(H,30,33)(H,31,32)(H,34,35)/t20-,24+,25+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 18 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory activity against human stromelysin-3 (MMP-3) |
Bioorg Med Chem Lett 5: 2441-2446 (1995)
Article DOI: 10.1016/0960-894X(95)00425-S
BindingDB Entry DOI: 10.7270/Q2D21XK6 |
More data for this
Ligand-Target Pair | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50057090
((R)-2-((S)-1-((S)-4-methyl-1-oxo-1-(phenylamino)pe...)Show SMILES CCCc1ccc(CC[C@H](N[C@H](C)C(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)Nc2ccccc2)cc1 Show InChI InChI=1S/C28H39N3O4/c1-5-9-21-12-14-22(15-13-21)16-17-24(29-20(4)28(34)35)26(32)31-25(18-19(2)3)27(33)30-23-10-7-6-8-11-23/h6-8,10-15,19-20,24-25,29H,5,9,16-18H2,1-4H3,(H,30,33)(H,31,32)(H,34,35)/t20-,24+,25+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 18 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of matrix metalloproteinase-3(MMP-3). |
Bioorg Med Chem Lett 6: 803-806 (1996)
Article DOI: 10.1016/0960-894X(96)00109-6
BindingDB Entry DOI: 10.7270/Q2HM58FH |
More data for this
Ligand-Target Pair | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50057072
((2S,4R)-2-Butyl-6-(3'-chloro-4'-fluoro-biphenyl-4-...)Show SMILES CCCC[C@@H](C[C@@H](CCc1ccc(cc1)-c1ccc(F)c(Cl)c1)C(=O)N[C@H](C(=O)NC)C(C)(C)C)C(O)=O Show InChI InChI=1S/C30H40ClFN2O4/c1-6-7-8-23(29(37)38)17-22(27(35)34-26(28(36)33-5)30(2,3)4)14-11-19-9-12-20(13-10-19)21-15-16-25(32)24(31)18-21/h9-10,12-13,15-16,18,22-23,26H,6-8,11,14,17H2,1-5H3,(H,33,36)(H,34,35)(H,37,38)/t22-,23+,26-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 19 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human stromelysin-1 (Matrix metalloproteinase-3) |
J Med Chem 40: 1026-40 (1997)
Article DOI: 10.1021/jm960465t
BindingDB Entry DOI: 10.7270/Q2H70DXR |
More data for this
Ligand-Target Pair | |
Caspase-1
(Homo sapiens (Human)) | BDBM12197
((3S)-3-[(2S)-2-[(2S)-2-[(2S)-2-acetamido-3-(4-hydr...)Show SMILES CC(C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)C(=O)CCCCCc1ccccc1 |r| Show InChI InChI=1S/C34H46N4O8/c1-21(2)31(38-33(45)28(36-23(4)39)19-25-15-17-26(40)18-16-25)34(46)35-22(3)32(44)37-27(20-30(42)43)29(41)14-10-6-9-13-24-11-7-5-8-12-24/h5,7-8,11-12,15-18,21-22,27-28,31,40H,6,9-10,13-14,19-20H2,1-4H3,(H,35,46)(H,36,39)(H,37,44)(H,38,45)(H,42,43)/t22-,27-,28-,31-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Patents
Similars
| Article
| 19 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
The compound was tested for its inhibitory activity against IL-1 beta converting enzyme |
Bioorg Med Chem Lett 3: 2689-2692 (1993)
Article DOI: 10.1016/S0960-894X(01)80743-5
BindingDB Entry DOI: 10.7270/Q2BV7GJZ |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50057065
((2S,4R)-2-Butyl-4-((S)-2,2-dimethyl-1-methylcarbam...)Show SMILES CCCC[C@@H](C[C@@H](CCc1ccc(cc1)-c1ccc(cc1)S(C)(=O)=O)C(=O)N[C@H](C(=O)NC)C(C)(C)C)C(O)=O Show InChI InChI=1S/C31H44N2O6S/c1-7-8-9-25(30(36)37)20-24(28(34)33-27(29(35)32-5)31(2,3)4)15-12-21-10-13-22(14-11-21)23-16-18-26(19-17-23)40(6,38)39/h10-11,13-14,16-19,24-25,27H,7-9,12,15,20H2,1-6H3,(H,32,35)(H,33,34)(H,36,37)/t24-,25+,27-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 19 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of gelatinase A (Matrix metalloproteinase-2) |
J Med Chem 40: 1026-40 (1997)
Article DOI: 10.1021/jm960465t
BindingDB Entry DOI: 10.7270/Q2H70DXR |
More data for this
Ligand-Target Pair | |
72 kDa type IV collagenase
(Homo sapiens (Human)) | BDBM50057079
((2S,4R)-2-Butyl-4-((S)-2,2-dimethyl-1-methylcarbam...)Show SMILES CCCC[C@@H](C[C@@H](CCc1ccc(cc1)-c1ccc(OC)cc1)C(=O)N[C@H](C(=O)NC)C(C)(C)C)C(O)=O Show InChI InChI=1S/C31H44N2O5/c1-7-8-9-25(30(36)37)20-24(28(34)33-27(29(35)32-5)31(2,3)4)15-12-21-10-13-22(14-11-21)23-16-18-26(38-6)19-17-23/h10-11,13-14,16-19,24-25,27H,7-9,12,15,20H2,1-6H3,(H,32,35)(H,33,34)(H,36,37)/t24-,25+,27-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 21 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of gelatinase A (Matrix metalloproteinase-2) |
J Med Chem 40: 1026-40 (1997)
Article DOI: 10.1021/jm960465t
BindingDB Entry DOI: 10.7270/Q2H70DXR |
More data for this
Ligand-Target Pair | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50057065
((2S,4R)-2-Butyl-4-((S)-2,2-dimethyl-1-methylcarbam...)Show SMILES CCCC[C@@H](C[C@@H](CCc1ccc(cc1)-c1ccc(cc1)S(C)(=O)=O)C(=O)N[C@H](C(=O)NC)C(C)(C)C)C(O)=O Show InChI InChI=1S/C31H44N2O6S/c1-7-8-9-25(30(36)37)20-24(28(34)33-27(29(35)32-5)31(2,3)4)15-12-21-10-13-22(14-11-21)23-16-18-26(19-17-23)40(6,38)39/h10-11,13-14,16-19,24-25,27H,7-9,12,15,20H2,1-6H3,(H,32,35)(H,33,34)(H,36,37)/t24-,25+,27-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 21 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human stromelysin-1 (Matrix metalloproteinase-3) |
J Med Chem 40: 1026-40 (1997)
Article DOI: 10.1021/jm960465t
BindingDB Entry DOI: 10.7270/Q2H70DXR |
More data for this
Ligand-Target Pair | |
Stromelysin-1
(Homo sapiens (Human)) | BDBM50057043
((2S,4R)-2-Butyl-4-((S)-2,2-dimethyl-1-methylcarbam...)Show SMILES CCCC[C@@H](C[C@@H](CCc1ccc(cc1)-c1cccc(F)c1)C(=O)N[C@H](C(=O)NC)C(C)(C)C)C(O)=O Show InChI InChI=1S/C30H41FN2O4/c1-6-7-9-24(29(36)37)18-23(27(34)33-26(28(35)32-5)30(2,3)4)17-14-20-12-15-21(16-13-20)22-10-8-11-25(31)19-22/h8,10-13,15-16,19,23-24,26H,6-7,9,14,17-18H2,1-5H3,(H,32,35)(H,33,34)(H,36,37)/t23-,24+,26-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 21 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human stromelysin-1 (Matrix metalloproteinase-3) |
J Med Chem 40: 1026-40 (1997)
Article DOI: 10.1021/jm960465t
BindingDB Entry DOI: 10.7270/Q2H70DXR |
More data for this
Ligand-Target Pair | |
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