Found 24 hits Enz. Inhib. hit(s) with all data for entry = 50004364 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-3
(Mus musculus) | BDBM50482222
(CHEMBL1164658)Show SMILES CN1CCN(CC1)c1nc(SCc2nc3ccccc3[nH]2)nc(-c2ccccc2)c1C#N Show InChI InChI=1S/C24H23N7S/c1-30-11-13-31(14-12-30)23-18(15-25)22(17-7-3-2-4-8-17)28-24(29-23)32-16-21-26-19-9-5-6-10-20(19)27-21/h2-10H,11-14,16H2,1H3,(H,26,27) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.40E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
National Research Centre
Curated by ChEMBL
| Assay Description
Cytotoxicity against human NB-1 cells after 3 days by MTT assay |
Eur J Med Chem 45: 2336-44 (2010)
Article DOI: 10.1016/j.ejmech.2010.02.011
BindingDB Entry DOI: 10.7270/Q2Z60RW4 |
More data for this
Ligand-Target Pair | |
Stromelysin-3
(Mus musculus) | BDBM50482207
(CHEMBL1164321)Show SMILES [O-][N+](=O)c1ccccc1S(=O)(=O)N1CCN(CC1)c1nc(SCc2nc3ccccc3[nH]2)nc(-c2ccccc2)c1C#N Show InChI InChI=1S/C29H24N8O4S2/c30-18-21-27(20-8-2-1-3-9-20)33-29(42-19-26-31-22-10-4-5-11-23(22)32-26)34-28(21)35-14-16-36(17-15-35)43(40,41)25-13-7-6-12-24(25)37(38)39/h1-13H,14-17,19H2,(H,31,32) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.50E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
National Research Centre
Curated by ChEMBL
| Assay Description
Cytotoxicity against human NB-1 cells after 3 days by MTT assay |
Eur J Med Chem 45: 2336-44 (2010)
Article DOI: 10.1016/j.ejmech.2010.02.011
BindingDB Entry DOI: 10.7270/Q2Z60RW4 |
More data for this
Ligand-Target Pair | |
Stromelysin-3
(Mus musculus) | BDBM50482226
(CHEMBL1164111)Show SMILES N#Cc1c(Nc2ccccc2)nc(SCc2nc3ccccc3[nH]2)nc1-c1ccccc1 Show InChI InChI=1S/C25H18N6S/c26-15-19-23(17-9-3-1-4-10-17)30-25(31-24(19)27-18-11-5-2-6-12-18)32-16-22-28-20-13-7-8-14-21(20)29-22/h1-14H,16H2,(H,28,29)(H,27,30,31) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.50E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
National Research Centre
Curated by ChEMBL
| Assay Description
Cytotoxicity against human NB-1 cells after 3 days by MTT assay |
Eur J Med Chem 45: 2336-44 (2010)
Article DOI: 10.1016/j.ejmech.2010.02.011
BindingDB Entry DOI: 10.7270/Q2Z60RW4 |
More data for this
Ligand-Target Pair | |
Stromelysin-3
(Mus musculus) | BDBM50482208
(CHEMBL1165254)Show SMILES CCNc1nc(SCc2nc3ccccc3[nH]2)nc(-c2ccccc2)c1C#N Show InChI InChI=1S/C21H18N6S/c1-2-23-20-15(12-22)19(14-8-4-3-5-9-14)26-21(27-20)28-13-18-24-16-10-6-7-11-17(16)25-18/h3-11H,2,13H2,1H3,(H,24,25)(H,23,26,27) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.60E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
National Research Centre
Curated by ChEMBL
| Assay Description
Cytotoxicity against human NB-1 cells after 3 days by MTT assay |
Eur J Med Chem 45: 2336-44 (2010)
Article DOI: 10.1016/j.ejmech.2010.02.011
BindingDB Entry DOI: 10.7270/Q2Z60RW4 |
More data for this
Ligand-Target Pair | |
Stromelysin-3
(Mus musculus) | BDBM50482211
(CHEMBL1164678)Show SMILES Clc1nc(SCc2nc3ccccc3[nH]2)nc(-c2ccccc2)c1C#N Show InChI InChI=1S/C19H12ClN5S/c20-18-13(10-21)17(12-6-2-1-3-7-12)24-19(25-18)26-11-16-22-14-8-4-5-9-15(14)23-16/h1-9H,11H2,(H,22,23) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.87E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
National Research Centre
Curated by ChEMBL
| Assay Description
Cytotoxicity against human NB-1 cells after 3 days by MTT assay |
Eur J Med Chem 45: 2336-44 (2010)
Article DOI: 10.1016/j.ejmech.2010.02.011
BindingDB Entry DOI: 10.7270/Q2Z60RW4 |
More data for this
Ligand-Target Pair | |
Stromelysin-3
(Mus musculus) | BDBM50482225
(CHEMBL1165091)Show SMILES O=C(CN1CCN(CC1)c1nc(SCc2nc3ccccc3[nH]2)nc(-c2ccccc2)c1C#N)c1ccccc1 Show InChI InChI=1S/C31H27N7OS/c32-19-24-29(23-11-5-2-6-12-23)35-31(40-21-28-33-25-13-7-8-14-26(25)34-28)36-30(24)38-17-15-37(16-18-38)20-27(39)22-9-3-1-4-10-22/h1-14H,15-18,20-21H2,(H,33,34) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.90E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
National Research Centre
Curated by ChEMBL
| Assay Description
Cytotoxicity against human NB-1 cells after 3 days by MTT assay |
Eur J Med Chem 45: 2336-44 (2010)
Article DOI: 10.1016/j.ejmech.2010.02.011
BindingDB Entry DOI: 10.7270/Q2Z60RW4 |
More data for this
Ligand-Target Pair | |
Stromelysin-3
(Mus musculus) | BDBM50482216
(CHEMBL1163925)Show SMILES N#Cc1c(Nc2nccs2)nc(SCc2nc3ccccc3[nH]2)nc1-c1ccccc1 Show InChI InChI=1S/C22H15N7S2/c23-12-15-19(14-6-2-1-3-7-14)27-22(29-20(15)28-21-24-10-11-30-21)31-13-18-25-16-8-4-5-9-17(16)26-18/h1-11H,13H2,(H,25,26)(H,24,27,28,29) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.20E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
National Research Centre
Curated by ChEMBL
| Assay Description
Cytotoxicity against human NB-1 cells after 3 days by MTT assay |
Eur J Med Chem 45: 2336-44 (2010)
Article DOI: 10.1016/j.ejmech.2010.02.011
BindingDB Entry DOI: 10.7270/Q2Z60RW4 |
More data for this
Ligand-Target Pair | |
Stromelysin-3
(Mus musculus) | BDBM50482228
(CHEMBL1164842)Show SMILES Cl.N=c1[nH]c(=S)[nH]c2nc(SCc3nc4ccccc4[nH]3)nc(-c3ccccc3)c12 Show InChI InChI=1S/C20H15N7S2/c21-17-15-16(11-6-2-1-3-7-11)24-20(27-18(15)26-19(28)25-17)29-10-14-22-12-8-4-5-9-13(12)23-14/h1-9H,10H2,(H,22,23)(H3,21,24,25,26,27,28) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.30E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
National Research Centre
Curated by ChEMBL
| Assay Description
Cytotoxicity against human NB-1 cells after 3 days by MTT assay |
Eur J Med Chem 45: 2336-44 (2010)
Article DOI: 10.1016/j.ejmech.2010.02.011
BindingDB Entry DOI: 10.7270/Q2Z60RW4 |
More data for this
Ligand-Target Pair | |
Stromelysin-3
(Mus musculus) | BDBM50482215
(CHEMBL1164611)Show SMILES O=S(=O)(N1CCN(CC1)c1nc(SCc2nc3ccccc3[nH]2)nc(-c2ccccc2)c1C#N)c1ccccc1 Show InChI InChI=1S/C29H25N7O2S2/c30-19-23-27(21-9-3-1-4-10-21)33-29(39-20-26-31-24-13-7-8-14-25(24)32-26)34-28(23)35-15-17-36(18-16-35)40(37,38)22-11-5-2-6-12-22/h1-14H,15-18,20H2,(H,31,32) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.30E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
National Research Centre
Curated by ChEMBL
| Assay Description
Cytotoxicity against human NB-1 cells after 3 days by MTT assay |
Eur J Med Chem 45: 2336-44 (2010)
Article DOI: 10.1016/j.ejmech.2010.02.011
BindingDB Entry DOI: 10.7270/Q2Z60RW4 |
More data for this
Ligand-Target Pair | |
Stromelysin-3
(Mus musculus) | BDBM50482220
(CHEMBL1163926)Show SMILES N#Cc1c(Nc2ccccn2)nc(SCc2nc3ccccc3[nH]2)nc1-c1ccccc1 Show InChI InChI=1S/C24H17N7S/c25-14-17-22(16-8-2-1-3-9-16)30-24(31-23(17)29-20-12-6-7-13-26-20)32-15-21-27-18-10-4-5-11-19(18)28-21/h1-13H,15H2,(H,27,28)(H,26,29,30,31) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.90E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
National Research Centre
Curated by ChEMBL
| Assay Description
Cytotoxicity against human NB-1 cells after 3 days by MTT assay |
Eur J Med Chem 45: 2336-44 (2010)
Article DOI: 10.1016/j.ejmech.2010.02.011
BindingDB Entry DOI: 10.7270/Q2Z60RW4 |
More data for this
Ligand-Target Pair | |
Stromelysin-3
(Mus musculus) | BDBM50482214
(CHEMBL1165174)Show SMILES O=C(Cc1ccccc1)N1CCN(CC1)c1nc(SCc2nc3ccccc3[nH]2)nc(-c2ccccc2)c1C#N Show InChI InChI=1S/C31H27N7OS/c32-20-24-29(23-11-5-2-6-12-23)35-31(40-21-27-33-25-13-7-8-14-26(25)34-27)36-30(24)38-17-15-37(16-18-38)28(39)19-22-9-3-1-4-10-22/h1-14H,15-19,21H2,(H,33,34) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 4.50E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
National Research Centre
Curated by ChEMBL
| Assay Description
Cytotoxicity against human NB-1 cells after 3 days by MTT assay |
Eur J Med Chem 45: 2336-44 (2010)
Article DOI: 10.1016/j.ejmech.2010.02.011
BindingDB Entry DOI: 10.7270/Q2Z60RW4 |
More data for this
Ligand-Target Pair | |
Stromelysin-3
(Mus musculus) | BDBM50482227
(CHEMBL1163287)Show SMILES CNc1nc(SCc2nc3ccccc3[nH]2)nc(-c2ccccc2)c1C#N Show InChI InChI=1S/C20H16N6S/c1-22-19-14(11-21)18(13-7-3-2-4-8-13)25-20(26-19)27-12-17-23-15-9-5-6-10-16(15)24-17/h2-10H,12H2,1H3,(H,23,24)(H,22,25,26) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 4.50E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
National Research Centre
Curated by ChEMBL
| Assay Description
Cytotoxicity against human NB-1 cells after 3 days by MTT assay |
Eur J Med Chem 45: 2336-44 (2010)
Article DOI: 10.1016/j.ejmech.2010.02.011
BindingDB Entry DOI: 10.7270/Q2Z60RW4 |
More data for this
Ligand-Target Pair | |
Stromelysin-3
(Mus musculus) | BDBM22984
((8S,10S)-10-{[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-me...)Show SMILES COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](O[C@H]5C[C@H](N)[C@H](O)[C@H](C)O5)c4c(O)c3C(=O)c12)C(=O)CO |r| Show InChI InChI=1S/C27H29NO11/c1-10-22(31)13(28)6-17(38-10)39-15-8-27(36,16(30)9-29)7-12-19(15)26(35)21-20(24(12)33)23(32)11-4-3-5-14(37-2)18(11)25(21)34/h3-5,10,13,15,17,22,29,31,33,35-36H,6-9,28H2,1-2H3/t10-,13-,15-,17-,22+,27-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 5.20E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
National Research Centre
Curated by ChEMBL
| Assay Description
Cytotoxicity against human NB-1 cells after 3 days by MTT assay |
Eur J Med Chem 45: 2336-44 (2010)
Article DOI: 10.1016/j.ejmech.2010.02.011
BindingDB Entry DOI: 10.7270/Q2Z60RW4 |
More data for this
Ligand-Target Pair | |
Stromelysin-3
(Mus musculus) | BDBM50482212
(CHEMBL1165809)Show SMILES NNc1nc(SCc2nc3ccccc3[nH]2)nc(-c2ccccc2)c1C#N Show InChI InChI=1S/C19H15N7S/c20-10-13-17(12-6-2-1-3-7-12)24-19(25-18(13)26-21)27-11-16-22-14-8-4-5-9-15(14)23-16/h1-9H,11,21H2,(H,22,23)(H,24,25,26) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 5.40E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
National Research Centre
Curated by ChEMBL
| Assay Description
Cytotoxicity against human NB-1 cells after 3 days by MTT assay |
Eur J Med Chem 45: 2336-44 (2010)
Article DOI: 10.1016/j.ejmech.2010.02.011
BindingDB Entry DOI: 10.7270/Q2Z60RW4 |
More data for this
Ligand-Target Pair | |
Stromelysin-3
(Mus musculus) | BDBM50482217
(CHEMBL1163847)Show SMILES NC(=S)NNc1nc(SCc2nc3ccccc3[nH]2)nc(-c2ccccc2)c1C#N Show InChI InChI=1S/C20H16N8S2/c21-10-13-17(12-6-2-1-3-7-12)25-20(26-18(13)27-28-19(22)29)30-11-16-23-14-8-4-5-9-15(14)24-16/h1-9H,11H2,(H,23,24)(H3,22,28,29)(H,25,26,27) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 5.80E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
National Research Centre
Curated by ChEMBL
| Assay Description
Cytotoxicity against human NB-1 cells after 3 days by MTT assay |
Eur J Med Chem 45: 2336-44 (2010)
Article DOI: 10.1016/j.ejmech.2010.02.011
BindingDB Entry DOI: 10.7270/Q2Z60RW4 |
More data for this
Ligand-Target Pair | |
Stromelysin-3
(Mus musculus) | BDBM50482210
(CHEMBL1165090)Show SMILES Oc1nc(SCc2nc3ccccc3[nH]2)nc(-c2ccccc2)c1C#N Show InChI InChI=1S/C19H13N5OS/c20-10-13-17(12-6-2-1-3-7-12)23-19(24-18(13)25)26-11-16-21-14-8-4-5-9-15(14)22-16/h1-9H,11H2,(H,21,22)(H,23,24,25) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 6.57E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
National Research Centre
Curated by ChEMBL
| Assay Description
Cytotoxicity against human NB-1 cells after 3 days by MTT assay |
Eur J Med Chem 45: 2336-44 (2010)
Article DOI: 10.1016/j.ejmech.2010.02.011
BindingDB Entry DOI: 10.7270/Q2Z60RW4 |
More data for this
Ligand-Target Pair | |
Stromelysin-3
(Mus musculus) | BDBM50482221
(CHEMBL1163277)Show SMILES Cc1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1nc(SCc2nc3ccccc3[nH]2)nc(-c2ccccc2)c1C#N Show InChI InChI=1S/C30H27N7O2S2/c1-21-11-13-23(14-12-21)41(38,39)37-17-15-36(16-18-37)29-24(19-31)28(22-7-3-2-4-8-22)34-30(35-29)40-20-27-32-25-9-5-6-10-26(25)33-27/h2-14H,15-18,20H2,1H3,(H,32,33) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 6.80E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
National Research Centre
Curated by ChEMBL
| Assay Description
Cytotoxicity against human NB-1 cells after 3 days by MTT assay |
Eur J Med Chem 45: 2336-44 (2010)
Article DOI: 10.1016/j.ejmech.2010.02.011
BindingDB Entry DOI: 10.7270/Q2Z60RW4 |
More data for this
Ligand-Target Pair | |
Stromelysin-3
(Mus musculus) | BDBM50482219
(CHEMBL1164763)Show SMILES N#Cc1c(nc(SCc2nc3ccccc3[nH]2)nc1-c1ccccc1)N1CCNCC1 Show InChI InChI=1S/C23H21N7S/c24-14-17-21(16-6-2-1-3-7-16)28-23(29-22(17)30-12-10-25-11-13-30)31-15-20-26-18-8-4-5-9-19(18)27-20/h1-9,25H,10-13,15H2,(H,26,27) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 6.80E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
National Research Centre
Curated by ChEMBL
| Assay Description
Cytotoxicity against human NB-1 cells after 3 days by MTT assay |
Eur J Med Chem 45: 2336-44 (2010)
Article DOI: 10.1016/j.ejmech.2010.02.011
BindingDB Entry DOI: 10.7270/Q2Z60RW4 |
More data for this
Ligand-Target Pair | |
Stromelysin-3
(Mus musculus) | BDBM50482213
(CHEMBL1165679)Show SMILES N#Cc1c(Nc2ccncc2)nc(SCc2nc3ccccc3[nH]2)nc1-c1ccccc1 Show InChI InChI=1S/C24H17N7S/c25-14-18-22(16-6-2-1-3-7-16)30-24(31-23(18)27-17-10-12-26-13-11-17)32-15-21-28-19-8-4-5-9-20(19)29-21/h1-13H,15H2,(H,28,29)(H,26,27,30,31) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 6.80E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
National Research Centre
Curated by ChEMBL
| Assay Description
Cytotoxicity against human NB-1 cells after 3 days by MTT assay |
Eur J Med Chem 45: 2336-44 (2010)
Article DOI: 10.1016/j.ejmech.2010.02.011
BindingDB Entry DOI: 10.7270/Q2Z60RW4 |
More data for this
Ligand-Target Pair | |
Stromelysin-3
(Mus musculus) | BDBM50482218
(CHEMBL1163262)Show SMILES NC(=O)Nc1nc(SCc2nc3ccccc3[nH]2)nc(-c2ccccc2)c1C#N Show InChI InChI=1S/C20H15N7OS/c21-10-13-17(12-6-2-1-3-7-12)25-20(27-18(13)26-19(22)28)29-11-16-23-14-8-4-5-9-15(14)24-16/h1-9H,11H2,(H,23,24)(H3,22,25,26,27,28) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 7.40E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
National Research Centre
Curated by ChEMBL
| Assay Description
Cytotoxicity against human NB-1 cells after 3 days by MTT assay |
Eur J Med Chem 45: 2336-44 (2010)
Article DOI: 10.1016/j.ejmech.2010.02.011
BindingDB Entry DOI: 10.7270/Q2Z60RW4 |
More data for this
Ligand-Target Pair | |
Stromelysin-3
(Mus musculus) | BDBM50482223
(CHEMBL1165818)Show SMILES O=C(N1CCN(CC1)c1nc(SCc2nc3ccccc3[nH]2)nc(-c2ccccc2)c1C#N)c1ccccc1 Show InChI InChI=1S/C30H25N7OS/c31-19-23-27(21-9-3-1-4-10-21)34-30(39-20-26-32-24-13-7-8-14-25(24)33-26)35-28(23)36-15-17-37(18-16-36)29(38)22-11-5-2-6-12-22/h1-14H,15-18,20H2,(H,32,33) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 7.40E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
National Research Centre
Curated by ChEMBL
| Assay Description
Cytotoxicity against human NB-1 cells after 3 days by MTT assay |
Eur J Med Chem 45: 2336-44 (2010)
Article DOI: 10.1016/j.ejmech.2010.02.011
BindingDB Entry DOI: 10.7270/Q2Z60RW4 |
More data for this
Ligand-Target Pair | |
Stromelysin-3
(Mus musculus) | BDBM50482209
(CHEMBL1165176)Show SMILES Cl.N=c1[nH]c(=O)[nH]c2nc(SCc3nc4ccccc4[nH]3)nc(-c3ccccc3)c12 Show InChI InChI=1S/C20H15N7OS/c21-17-15-16(11-6-2-1-3-7-11)24-20(27-18(15)26-19(28)25-17)29-10-14-22-12-8-4-5-9-13(12)23-14/h1-9H,10H2,(H,22,23)(H3,21,24,25,26,27,28) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.13E+7 | n/a | n/a | n/a | n/a | n/a | n/a |
National Research Centre
Curated by ChEMBL
| Assay Description
Cytotoxicity against human NB-1 cells after 3 days by MTT assay |
Eur J Med Chem 45: 2336-44 (2010)
Article DOI: 10.1016/j.ejmech.2010.02.011
BindingDB Entry DOI: 10.7270/Q2Z60RW4 |
More data for this
Ligand-Target Pair | |
Stromelysin-3
(Mus musculus) | BDBM50482229
(CHEMBL1164764)Show SMILES NC(=S)Nc1nc(SCc2nc3ccccc3[nH]2)nc(-c2ccccc2)c1C#N Show InChI InChI=1S/C20H15N7S2/c21-10-13-17(12-6-2-1-3-7-12)25-20(27-18(13)26-19(22)28)29-11-16-23-14-8-4-5-9-15(14)24-16/h1-9H,11H2,(H,23,24)(H3,22,25,26,27,28) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.19E+7 | n/a | n/a | n/a | n/a | n/a | n/a |
National Research Centre
Curated by ChEMBL
| Assay Description
Cytotoxicity against human NB-1 cells after 3 days by MTT assay |
Eur J Med Chem 45: 2336-44 (2010)
Article DOI: 10.1016/j.ejmech.2010.02.011
BindingDB Entry DOI: 10.7270/Q2Z60RW4 |
More data for this
Ligand-Target Pair | |
Stromelysin-3
(Mus musculus) | BDBM50482224
(CHEMBL1163280)Show SMILES [O-][N+](=O)c1ccc(cc1)C(=O)N1CCN(CC1)c1nc(SCc2nc3ccccc3[nH]2)nc(-c2ccccc2)c1C#N Show InChI InChI=1S/C30H24N8O3S/c31-18-23-27(20-6-2-1-3-7-20)34-30(42-19-26-32-24-8-4-5-9-25(24)33-26)35-28(23)36-14-16-37(17-15-36)29(39)21-10-12-22(13-11-21)38(40)41/h1-13H,14-17,19H2,(H,32,33) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.32E+7 | n/a | n/a | n/a | n/a | n/a | n/a |
National Research Centre
Curated by ChEMBL
| Assay Description
Cytotoxicity against human NB-1 cells after 3 days by MTT assay |
Eur J Med Chem 45: 2336-44 (2010)
Article DOI: 10.1016/j.ejmech.2010.02.011
BindingDB Entry DOI: 10.7270/Q2Z60RW4 |
More data for this
Ligand-Target Pair | |
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