Found 238 hits with Last Name = 'abbot' and Initial = 's' 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 |
|---|
Bone morphogenetic protein 1
(Homo sapiens (Human)) | BDBM50111856
(CHEMBL21249 | {(R)-2-Amino-4-[benzo[1,3]dioxol-5-y...)Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccc2OCOc2c1)[C@@H](C(=O)NO)C(=O)C(N)CNC(=O)OCC1c2ccccc2-c2ccccc12 Show InChI InChI=1S/C35H34N4O10S/c1-46-22-11-13-23(14-12-22)50(44,45)39(18-21-10-15-30-31(16-21)49-20-48-30)32(34(41)38-43)33(40)29(36)17-37-35(42)47-19-28-26-8-4-2-6-24(26)25-7-3-5-9-27(25)28/h2-16,28-29,32,43H,17-20,36H2,1H3,(H,37,42)(H,38,41)/t29?,32-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 0.0240 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Bioscience
Curated by ChEMBL
| Assay Description
Inhibitory activity against Procollagen C-Proteinase (PCP) |
Bioorg Med Chem Lett 12: 1233-5 (2002)
BindingDB Entry DOI: 10.7270/Q29C6WR3 |
More data for this
Ligand-Target Pair | |
Bone morphogenetic protein 1
(Homo sapiens (Human)) | BDBM50111848
((R)-2-[Benzo[1,3]dioxol-5-ylmethyl-(4-methoxy-benz...)Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccc2OCOc2c1)[C@H](Cc1cccs1)C(=O)NO Show InChI InChI=1S/C22H22N2O7S2/c1-29-16-5-7-18(8-6-16)33(27,28)24(13-15-4-9-20-21(11-15)31-14-30-20)19(22(25)23-26)12-17-3-2-10-32-17/h2-11,19,26H,12-14H2,1H3,(H,23,25)/t19-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| PDB
PubMed
| n/a | n/a | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Bioscience
Curated by ChEMBL
| Assay Description
Inhibitory activity against Procollagen C-Proteinase (PCP) |
Bioorg Med Chem Lett 12: 1233-5 (2002)
BindingDB Entry DOI: 10.7270/Q29C6WR3 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Bone morphogenetic protein 1
(Homo sapiens (Human)) | BDBM50111848
((R)-2-[Benzo[1,3]dioxol-5-ylmethyl-(4-methoxy-benz...)Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccc2OCOc2c1)[C@H](Cc1cccs1)C(=O)NO Show InChI InChI=1S/C22H22N2O7S2/c1-29-16-5-7-18(8-6-16)33(27,28)24(13-15-4-9-20-21(11-15)31-14-30-20)19(22(25)23-26)12-17-3-2-10-32-17/h2-11,19,26H,12-14H2,1H3,(H,23,25)/t19-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| PDB
PubMed
| n/a | n/a | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Bioscience
Curated by ChEMBL
| Assay Description
Inhibitory activity against Procollagen C-Proteinase (PCP) |
Bioorg Med Chem Lett 12: 1233-5 (2002)
BindingDB Entry DOI: 10.7270/Q29C6WR3 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Bone morphogenetic protein 1
(Homo sapiens (Human)) | BDBM50102948
(CHEMBL279023 | {(R)-4-[Benzo[1,3]dioxol-5-ylmethyl...)Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccc2OCOc2c1)[C@H](CCCNC(=O)OCc1ccccc1Cl)C(=O)NO Show InChI InChI=1S/C28H30ClN3O9S/c1-38-21-9-11-22(12-10-21)42(36,37)32(16-19-8-13-25-26(15-19)41-18-40-25)24(27(33)31-35)7-4-14-30-28(34)39-17-20-5-2-3-6-23(20)29/h2-3,5-6,8-13,15,24,35H,4,7,14,16-18H2,1H3,(H,30,34)(H,31,33)/t24-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 3.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Bioscience
Curated by ChEMBL
| Assay Description
Inhibitory activity against Procollagen C-Proteinase (PCP) |
Bioorg Med Chem Lett 12: 1233-5 (2002)
BindingDB Entry DOI: 10.7270/Q29C6WR3 |
More data for this
Ligand-Target Pair | |
Bone morphogenetic protein 1
(Homo sapiens (Human)) | BDBM50111808
(CHEMBL282484 | {(R)-2-Amino-4-[benzo[1,3]dioxol-5-...)Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccc2OCOc2c1)[C@@H](C(=O)NO)C(=O)C(N)CNC(=O)OCc1ccccc1Cl Show InChI InChI=1S/C28H29ClN4O10S/c1-40-19-7-9-20(10-8-19)44(38,39)33(14-17-6-11-23-24(12-17)43-16-42-23)25(27(35)32-37)26(34)22(30)13-31-28(36)41-15-18-4-2-3-5-21(18)29/h2-12,22,25,37H,13-16,30H2,1H3,(H,31,36)(H,32,35)/t22?,25-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 4.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Bioscience
Curated by ChEMBL
| Assay Description
Inhibitory activity against Procollagen C-Proteinase (PCP) |
Bioorg Med Chem Lett 12: 1233-5 (2002)
BindingDB Entry DOI: 10.7270/Q29C6WR3 |
More data for this
Ligand-Target Pair | |
Bone morphogenetic protein 1
(Homo sapiens (Human)) | BDBM50111840
((R)-N-Hydroxy-2-[(4-methoxy-benzenesulfonyl)-(2-tr...)Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccccc1C(F)(F)F)[C@H](C)C(=O)NO Show InChI InChI=1S/C18H19F3N2O5S/c1-12(17(24)22-25)23(11-13-5-3-4-6-16(13)18(19,20)21)29(26,27)15-9-7-14(28-2)8-10-15/h3-10,12,25H,11H2,1-2H3,(H,22,24)/t12-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Bioscience
Curated by ChEMBL
| Assay Description
Inhibitory activity against Procollagen C-Proteinase (PCP) |
Bioorg Med Chem Lett 12: 1233-5 (2002)
BindingDB Entry DOI: 10.7270/Q29C6WR3 |
More data for this
Ligand-Target Pair | |
Bone morphogenetic protein 1
(Homo sapiens (Human)) | BDBM50102988
(CHEMBL21486 | {(R)-4-[Benzo[1,3]dioxol-5-ylmethyl-...)Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccc2OCOc2c1)[C@H](CCCNC(=O)OCc1ccccc1)C(=O)NO Show InChI InChI=1S/C28H31N3O9S/c1-37-22-10-12-23(13-11-22)41(35,36)31(17-21-9-14-25-26(16-21)40-19-39-25)24(27(32)30-34)8-5-15-29-28(33)38-18-20-6-3-2-4-7-20/h2-4,6-7,9-14,16,24,34H,5,8,15,17-19H2,1H3,(H,29,33)(H,30,32)/t24-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Bioscience
Curated by ChEMBL
| Assay Description
Inhibitory activity against Procollagen C-Proteinase (PCP) |
Bioorg Med Chem Lett 12: 1233-5 (2002)
BindingDB Entry DOI: 10.7270/Q29C6WR3 |
More data for this
Ligand-Target Pair | |
Bone morphogenetic protein 1
(Homo sapiens (Human)) | BDBM50111842
((R)-2-[Benzo[1,3]dioxol-5-ylmethyl-(4-methoxy-benz...)Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccc2OCOc2c1)[C@H](CC#C)C(O)=O Show InChI InChI=1S/C20H19NO7S/c1-3-4-17(20(22)23)21(12-14-5-10-18-19(11-14)28-13-27-18)29(24,25)16-8-6-15(26-2)7-9-16/h1,5-11,17H,4,12-13H2,2H3,(H,22,23)/t17-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Bioscience
Curated by ChEMBL
| Assay Description
Inhibitory activity against procollagen C-proteinase (PCP). |
Bioorg Med Chem Lett 12: 1233-5 (2002)
BindingDB Entry DOI: 10.7270/Q29C6WR3 |
More data for this
Ligand-Target Pair | |
Bone morphogenetic protein 1
(Homo sapiens (Human)) | BDBM50111854
(CHEMBL21237 | {(R)-2-Amino-4-[benzo[1,3]dioxol-5-y...)Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccc2OCOc2c1)[C@@H](C(=O)NO)C(=O)C(N)CNC(=O)OCc1ccccc1 Show InChI InChI=1S/C28H30N4O10S/c1-39-20-8-10-21(11-9-20)43(37,38)32(15-19-7-12-23-24(13-19)42-17-41-23)25(27(34)31-36)26(33)22(29)14-30-28(35)40-16-18-5-3-2-4-6-18/h2-13,22,25,36H,14-17,29H2,1H3,(H,30,35)(H,31,34)/t22?,25-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Bioscience
Curated by ChEMBL
| Assay Description
Inhibitory activity against Procollagen C-Proteinase (PCP) |
Bioorg Med Chem Lett 12: 1233-5 (2002)
BindingDB Entry DOI: 10.7270/Q29C6WR3 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 8
(Homo sapiens (Human)) | BDBM50402842
(CHEMBL2208438)Show SMILES COC(=O)c1c(Cc2ccc(cc2)S(C)(=O)=O)c(=O)c2ccc(C)nc2n1-c1cccc(N)c1 Show InChI InChI=1S/C25H23N3O5S/c1-15-7-12-20-23(29)21(13-16-8-10-19(11-9-16)34(3,31)32)22(25(30)33-2)28(24(20)27-15)18-6-4-5-17(26)14-18/h4-12,14H,13,26H2,1-3H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Palo Alto
Curated by ChEMBL
| Assay Description
Inhibition of human JNK1 alpha1 using GST-tagged ATF2 as substrate and [gamma33P]ATP incubated for 10 mins prior to substrate addition measured after... |
Bioorg Med Chem Lett 22: 7381-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.10.066
BindingDB Entry DOI: 10.7270/Q27S7PZ6 |
More data for this
Ligand-Target Pair | |
Bone morphogenetic protein 1
(Homo sapiens (Human)) | BDBM50111861
(CHEMBL281582 | {(R)-5-[Benzo[1,3]dioxol-5-ylmethyl...)Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccc2OCOc2c1)[C@H](CCCCNC(=O)OCc1ccccc1)C(=O)NO Show InChI InChI=1S/C29H33N3O9S/c1-38-23-11-13-24(14-12-23)42(36,37)32(18-22-10-15-26-27(17-22)41-20-40-26)25(28(33)31-35)9-5-6-16-30-29(34)39-19-21-7-3-2-4-8-21/h2-4,7-8,10-15,17,25,35H,5-6,9,16,18-20H2,1H3,(H,30,34)(H,31,33)/t25-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Bioscience
Curated by ChEMBL
| Assay Description
Inhibitory activity against Procollagen C-Proteinase (PCP) |
Bioorg Med Chem Lett 12: 1233-5 (2002)
BindingDB Entry DOI: 10.7270/Q29C6WR3 |
More data for this
Ligand-Target Pair | |
Bone morphogenetic protein 1
(Homo sapiens (Human)) | BDBM50111858
(CHEMBL276883 | {(R)-2-Amino-4-[benzo[1,3]dioxol-5-...)Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccc2OCOc2c1)[C@@H](C(=O)NO)C(=O)C(N)CNC(=O)OCc1ccccc1Br Show InChI InChI=1S/C28H29BrN4O10S/c1-40-19-7-9-20(10-8-19)44(38,39)33(14-17-6-11-23-24(12-17)43-16-42-23)25(27(35)32-37)26(34)22(30)13-31-28(36)41-15-18-4-2-3-5-21(18)29/h2-12,22,25,37H,13-16,30H2,1H3,(H,31,36)(H,32,35)/t22?,25-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Bioscience
Curated by ChEMBL
| Assay Description
Inhibitory activity against Procollagen C-Proteinase (PCP) |
Bioorg Med Chem Lett 12: 1233-5 (2002)
BindingDB Entry DOI: 10.7270/Q29C6WR3 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 8
(Homo sapiens (Human)) | BDBM50402843
(CHEMBL2204113)Show SMILES COC(=O)c1c(Cc2ccc(cc2)S(=O)(=O)N2CCNCC2)c(=O)c2ccc(C)nc2n1-c1ccccc1 Show InChI InChI=1S/C28H28N4O5S/c1-19-8-13-23-26(33)24(25(28(34)37-2)32(27(23)30-19)21-6-4-3-5-7-21)18-20-9-11-22(12-10-20)38(35,36)31-16-14-29-15-17-31/h3-13,29H,14-18H2,1-2H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Palo Alto
Curated by ChEMBL
| Assay Description
Inhibition of human JNK1 alpha1 using GST-tagged ATF2 as substrate and [gamma33P]ATP incubated for 10 mins prior to substrate addition measured after... |
Bioorg Med Chem Lett 22: 7381-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.10.066
BindingDB Entry DOI: 10.7270/Q27S7PZ6 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 8
(Homo sapiens (Human)) | BDBM50402836
(CHEMBL2204096)Show SMILES COC(=O)c1c(CN2CCC(CC2)S(C)(=O)=O)c(=O)c2ccc(F)cc2n1-c1ccccc1 Show InChI InChI=1S/C24H25FN2O5S/c1-32-24(29)22-20(15-26-12-10-18(11-13-26)33(2,30)31)23(28)19-9-8-16(25)14-21(19)27(22)17-6-4-3-5-7-17/h3-9,14,18H,10-13,15H2,1-2H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 23 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Palo Alto
Curated by ChEMBL
| Assay Description
Inhibition of human JNK1 alpha1 using GST-tagged ATF2 as substrate and [gamma33P]ATP incubated for 10 mins prior to substrate addition measured after... |
Bioorg Med Chem Lett 22: 7381-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.10.066
BindingDB Entry DOI: 10.7270/Q27S7PZ6 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50344131
(6-(2,4-difluorophenoxy)-N-isopropyl-1H-pyrazolo[3,...)Show InChI InChI=1S/C14H13F2N5O/c1-7(2)18-12-9-6-17-14(19-13(9)21-20-12)22-11-4-3-8(15)5-10(11)16/h3-7H,1-2H3,(H2,17,18,19,20,21) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 23 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Palo Alto
Curated by ChEMBL
| Assay Description
Inhibition of p38alpha assessed as [33P]gamma-ATP incorporation into myelin basic protein |
Bioorg Med Chem Lett 21: 3452-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.03.098
BindingDB Entry DOI: 10.7270/Q26H4HR7 |
More data for this
Ligand-Target Pair | |
Bone morphogenetic protein 1
(Homo sapiens (Human)) | BDBM50111839
(CHEMBL277252 | {(R)-2-Amino-4-[benzo[1,3]dioxol-5-...)Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccc2OCOc2c1)[C@@H](C(=O)NO)C(=O)C(N)CNC(=O)OCC=C Show InChI InChI=1S/C24H28N4O10S/c1-3-10-36-24(31)26-12-18(25)22(29)21(23(30)27-32)28(13-15-4-9-19-20(11-15)38-14-37-19)39(33,34)17-7-5-16(35-2)6-8-17/h3-9,11,18,21,32H,1,10,12-14,25H2,2H3,(H,26,31)(H,27,30)/t18?,21-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 23 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Bioscience
Curated by ChEMBL
| Assay Description
Inhibitory activity against Procollagen C-Proteinase (PCP) |
Bioorg Med Chem Lett 12: 1233-5 (2002)
BindingDB Entry DOI: 10.7270/Q29C6WR3 |
More data for this
Ligand-Target Pair | |
Bone morphogenetic protein 1
(Homo sapiens (Human)) | BDBM50111845
((R)-2-[Benzo[1,3]dioxol-5-ylmethyl-(4-methoxy-benz...)Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccc2OCOc2c1)[C@H](COC(C)(C)C)C(=O)NO Show InChI InChI=1S/C22H28N2O8S/c1-22(2,3)32-13-18(21(25)23-26)24(12-15-5-10-19-20(11-15)31-14-30-19)33(27,28)17-8-6-16(29-4)7-9-17/h5-11,18,26H,12-14H2,1-4H3,(H,23,25)/t18-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 23 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Bioscience
Curated by ChEMBL
| Assay Description
Inhibitory activity against Procollagen C-Proteinase (PCP) |
Bioorg Med Chem Lett 12: 1233-5 (2002)
BindingDB Entry DOI: 10.7270/Q29C6WR3 |
More data for this
Ligand-Target Pair | |
Bone morphogenetic protein 1
(Homo sapiens (Human)) | BDBM50111857
((R)-2-[Benzo[1,3]dioxol-5-ylmethyl-(4-methoxy-benz...)Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccc2OCOc2c1)[C@H](Cc1cccs1)C(O)=O Show InChI InChI=1S/C22H21NO7S2/c1-28-16-5-7-18(8-6-16)32(26,27)23(19(22(24)25)12-17-3-2-10-31-17)13-15-4-9-20-21(11-15)30-14-29-20/h2-11,19H,12-14H2,1H3,(H,24,25)/t19-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 24 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Bioscience
Curated by ChEMBL
| Assay Description
Inhibitory activity against procollagen C-proteinase (PCP). |
Bioorg Med Chem Lett 12: 1233-5 (2002)
BindingDB Entry DOI: 10.7270/Q29C6WR3 |
More data for this
Ligand-Target Pair | |
Bone morphogenetic protein 1
(Homo sapiens (Human)) | BDBM50102969
(CHEMBL21073 | {(R)-4-[Benzo[1,3]dioxol-5-ylmethyl-...)Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccc2OCOc2c1)[C@H](CCCNC(=O)OCc1ccccc1Br)C(=O)NO Show InChI InChI=1S/C28H30BrN3O9S/c1-38-21-9-11-22(12-10-21)42(36,37)32(16-19-8-13-25-26(15-19)41-18-40-25)24(27(33)31-35)7-4-14-30-28(34)39-17-20-5-2-3-6-23(20)29/h2-3,5-6,8-13,15,24,35H,4,7,14,16-18H2,1H3,(H,30,34)(H,31,33)/t24-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 24 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Bioscience
Curated by ChEMBL
| Assay Description
Inhibitory activity against Procollagen C-Proteinase (PCP) |
Bioorg Med Chem Lett 12: 1233-5 (2002)
BindingDB Entry DOI: 10.7270/Q29C6WR3 |
More data for this
Ligand-Target Pair | |
Bone morphogenetic protein 1
(Homo sapiens (Human)) | BDBM50111815
(4-{(R)-[Benzo[1,3]dioxol-5-ylmethyl-(4-methoxy-ben...)Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccc2OCOc2c1)[C@H](C1CCN(CC1)C(=O)OC(C)(C)C)C(O)=O Show InChI InChI=1S/C27H34N2O9S/c1-27(2,3)38-26(32)28-13-11-19(12-14-28)24(25(30)31)29(16-18-5-10-22-23(15-18)37-17-36-22)39(33,34)21-8-6-20(35-4)7-9-21/h5-10,15,19,24H,11-14,16-17H2,1-4H3,(H,30,31)/t24-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 26 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Bioscience
Curated by ChEMBL
| Assay Description
Inhibitory activity against procollagen C-proteinase (PCP). |
Bioorg Med Chem Lett 12: 1233-5 (2002)
BindingDB Entry DOI: 10.7270/Q29C6WR3 |
More data for this
Ligand-Target Pair | |
Bone morphogenetic protein 1
(Homo sapiens (Human)) | BDBM50093836
(CHEMBL310992 | {(S)-2-[(2S,3S)-2-(3,4-Dibromo-benz...)Show SMILES CC[C@H](C)[C@H](NS(=O)(=O)c1ccc(Br)c(Br)c1)C(=O)N[C@@H](CNC(=O)OCc1ccccc1)C(=O)NO Show InChI InChI=1S/C23H28Br2N4O7S/c1-3-14(2)20(29-37(34,35)16-9-10-17(24)18(25)11-16)22(31)27-19(21(30)28-33)12-26-23(32)36-13-15-7-5-4-6-8-15/h4-11,14,19-20,29,33H,3,12-13H2,1-2H3,(H,26,32)(H,27,31)(H,28,30)/t14-,19-,20-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 26 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Bioscience
Curated by ChEMBL
| Assay Description
Inhibitory effect against Procollagen C-terminal proteinase |
Bioorg Med Chem Lett 10: 2513-6 (2001)
BindingDB Entry DOI: 10.7270/Q2KP81F2 |
More data for this
Ligand-Target Pair | |
Bone morphogenetic protein 1
(Homo sapiens (Human)) | BDBM50111867
((R)-2-[Benzo[1,3]dioxol-5-ylmethyl-(4-methoxy-benz...)Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccc2OCOc2c1)[C@H](Cc1cncn1Cc1ccccc1)C(=O)NO Show InChI InChI=1S/C28H28N4O7S/c1-37-23-8-10-24(11-9-23)40(35,36)32(17-21-7-12-26-27(13-21)39-19-38-26)25(28(33)30-34)14-22-15-29-18-31(22)16-20-5-3-2-4-6-20/h2-13,15,18,25,34H,14,16-17,19H2,1H3,(H,30,33)/t25-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 27 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Bioscience
Curated by ChEMBL
| Assay Description
Inhibitory activity against Procollagen C-Proteinase (PCP) |
Bioorg Med Chem Lett 12: 1233-5 (2002)
BindingDB Entry DOI: 10.7270/Q29C6WR3 |
More data for this
Ligand-Target Pair | |
Bone morphogenetic protein 1
(Homo sapiens (Human)) | BDBM50111805
((R)-2-[Benzo[1,3]dioxol-5-ylmethyl-(4-methoxy-benz...)Show SMILES CCN(CC)C(=N)NCCC[C@@H](N(Cc1ccc2OCOc2c1)S(=O)(=O)c1ccc(OC)cc1)C(O)=O Show InChI InChI=1S/C25H34N4O7S/c1-4-28(5-2)25(26)27-14-6-7-21(24(30)31)29(16-18-8-13-22-23(15-18)36-17-35-22)37(32,33)20-11-9-19(34-3)10-12-20/h8-13,15,21H,4-7,14,16-17H2,1-3H3,(H2,26,27)(H,30,31)/t21-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 28 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Bioscience
Curated by ChEMBL
| Assay Description
Inhibitory activity against procollagen C-proteinase (PCP). |
Bioorg Med Chem Lett 12: 1233-5 (2002)
BindingDB Entry DOI: 10.7270/Q29C6WR3 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 9
(Homo sapiens (Human)) | BDBM50402843
(CHEMBL2204113)Show SMILES COC(=O)c1c(Cc2ccc(cc2)S(=O)(=O)N2CCNCC2)c(=O)c2ccc(C)nc2n1-c1ccccc1 Show InChI InChI=1S/C28H28N4O5S/c1-19-8-13-23-26(33)24(25(28(34)37-2)32(27(23)30-19)21-6-4-3-5-7-21)18-20-9-11-22(12-10-20)38(35,36)31-16-14-29-15-17-31/h3-13,29H,14-18H2,1-2H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 28 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Palo Alto
Curated by ChEMBL
| Assay Description
Inhibition of human JNK2 alpha2 using GST-tagged ATF2 as substrate and [gamma33P]ATP incubated for 10 mins prior to substrate addition measured after... |
Bioorg Med Chem Lett 22: 7381-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.10.066
BindingDB Entry DOI: 10.7270/Q27S7PZ6 |
More data for this
Ligand-Target Pair | |
Bone morphogenetic protein 1
(Homo sapiens (Human)) | BDBM50093871
((2R,3R)-2-(2,5-Dichloro-benzenesulfonylamino)-3-me...)Show SMILES CC[C@@H](C)[C@@H](NS(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)N[C@H](Cc1cscn1)C(=O)NO Show InChI InChI=1S/C18H22Cl2N4O5S2/c1-3-10(2)16(24-31(28,29)15-6-11(19)4-5-13(15)20)18(26)22-14(17(25)23-27)7-12-8-30-9-21-12/h4-6,8-10,14,16,24,27H,3,7H2,1-2H3,(H,22,26)(H,23,25)/t10-,14-,16-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 29 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Bioscience
Curated by ChEMBL
| Assay Description
Inhibitory effect against Procollagen C-terminal proteinase |
Bioorg Med Chem Lett 10: 2513-6 (2001)
BindingDB Entry DOI: 10.7270/Q2KP81F2 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 8
(Homo sapiens (Human)) | BDBM50402840
(CHEMBL2204112)Show SMILES COC(=O)c1c(Cc2ccc(cc2)C(=O)NCCO)c(=O)c2ccc(C)nc2n1-c1ccccc1 Show InChI InChI=1S/C27H25N3O5/c1-17-8-13-21-24(32)22(16-18-9-11-19(12-10-18)26(33)28-14-15-31)23(27(34)35-2)30(25(21)29-17)20-6-4-3-5-7-20/h3-13,31H,14-16H2,1-2H3,(H,28,33) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Palo Alto
Curated by ChEMBL
| Assay Description
Inhibition of human JNK1 alpha1 using GST-tagged ATF2 as substrate and [gamma33P]ATP incubated for 10 mins prior to substrate addition measured after... |
Bioorg Med Chem Lett 22: 7381-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.10.066
BindingDB Entry DOI: 10.7270/Q27S7PZ6 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 8
(Homo sapiens (Human)) | BDBM50402839
(CHEMBL2204109)Show SMILES COC(=O)c1c(Cc2ccc(cc2)S(=O)(=O)N2CCNCC2)c(=O)c2ccc(F)cc2n1-c1ccccc1 Show InChI InChI=1S/C28H26FN3O5S/c1-37-28(34)26-24(17-19-7-10-22(11-8-19)38(35,36)31-15-13-30-14-16-31)27(33)23-12-9-20(29)18-25(23)32(26)21-5-3-2-4-6-21/h2-12,18,30H,13-17H2,1H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Palo Alto
Curated by ChEMBL
| Assay Description
Inhibition of human JNK1 alpha1 using GST-tagged ATF2 as substrate and [gamma33P]ATP incubated for 10 mins prior to substrate addition measured after... |
Bioorg Med Chem Lett 22: 7381-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.10.066
BindingDB Entry DOI: 10.7270/Q27S7PZ6 |
More data for this
Ligand-Target Pair | |
Bone morphogenetic protein 1
(Homo sapiens (Human)) | BDBM50111849
((R)-2-[(4-Chloro-3-nitro-benzyl)-(4-methoxy-benzen...)Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccc(Cl)c(c1)[N+]([O-])=O)[C@H](C)C(=O)NO Show InChI InChI=1S/C17H18ClN3O7S/c1-11(17(22)19-23)20(10-12-3-8-15(18)16(9-12)21(24)25)29(26,27)14-6-4-13(28-2)5-7-14/h3-9,11,23H,10H2,1-2H3,(H,19,22)/t11-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Bioscience
Curated by ChEMBL
| Assay Description
Inhibitory activity against Procollagen C-Proteinase (PCP) |
Bioorg Med Chem Lett 12: 1233-5 (2002)
BindingDB Entry DOI: 10.7270/Q29C6WR3 |
More data for this
Ligand-Target Pair | |
Bone morphogenetic protein 1
(Homo sapiens (Human)) | BDBM50093834
((2R,3R)-2-(3,4-Dibromo-benzenesulfonylamino)-3-met...)Show SMILES CC[C@@H](C)[C@@H](NS(=O)(=O)c1ccc(Br)c(Br)c1)C(=O)N[C@H](Cc1cscn1)C(=O)NO Show InChI InChI=1S/C18H22Br2N4O5S2/c1-3-10(2)16(24-31(28,29)12-4-5-13(19)14(20)7-12)18(26)22-15(17(25)23-27)6-11-8-30-9-21-11/h4-5,7-10,15-16,24,27H,3,6H2,1-2H3,(H,22,26)(H,23,25)/t10-,15-,16-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Bioscience
Curated by ChEMBL
| Assay Description
Inhibitory effect against Procollagen C-terminal proteinase |
Bioorg Med Chem Lett 10: 2513-6 (2001)
BindingDB Entry DOI: 10.7270/Q2KP81F2 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 8
(Homo sapiens (Human)) | BDBM50402841
(CHEMBL2204108)Show SMILES COC(=O)c1c(Cc2ccc(cc2)S(=O)(=O)N2CCNCC2)c(=O)c2ccc(Cl)cc2n1-c1ccccc1 Show InChI InChI=1S/C28H26ClN3O5S/c1-37-28(34)26-24(17-19-7-10-22(11-8-19)38(35,36)31-15-13-30-14-16-31)27(33)23-12-9-20(29)18-25(23)32(26)21-5-3-2-4-6-21/h2-12,18,30H,13-17H2,1H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Palo Alto
Curated by ChEMBL
| Assay Description
Inhibition of human JNK1 alpha1 using GST-tagged ATF2 as substrate and [gamma33P]ATP incubated for 10 mins prior to substrate addition measured after... |
Bioorg Med Chem Lett 22: 7381-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.10.066
BindingDB Entry DOI: 10.7270/Q27S7PZ6 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 9
(Homo sapiens (Human)) | BDBM50402842
(CHEMBL2208438)Show SMILES COC(=O)c1c(Cc2ccc(cc2)S(C)(=O)=O)c(=O)c2ccc(C)nc2n1-c1cccc(N)c1 Show InChI InChI=1S/C25H23N3O5S/c1-15-7-12-20-23(29)21(13-16-8-10-19(11-9-16)34(3,31)32)22(25(30)33-2)28(24(20)27-15)18-6-4-5-17(26)14-18/h4-12,14H,13,26H2,1-3H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 32 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Palo Alto
Curated by ChEMBL
| Assay Description
Inhibition of human JNK2 alpha2 using GST-tagged ATF2 as substrate and [gamma33P]ATP incubated for 10 mins prior to substrate addition measured after... |
Bioorg Med Chem Lett 22: 7381-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.10.066
BindingDB Entry DOI: 10.7270/Q27S7PZ6 |
More data for this
Ligand-Target Pair | |
Bone morphogenetic protein 1
(Homo sapiens (Human)) | BDBM50111841
((S)-2-[Benzo[1,3]dioxol-5-ylmethyl-(4-methoxy-benz...)Show SMILES COc1ccc(CSC[C@@H](N(Cc2ccc3OCOc3c2)S(=O)(=O)c2ccc(OC)cc2)C(=O)NO)cc1 Show InChI InChI=1S/C26H28N2O8S2/c1-33-20-6-3-18(4-7-20)15-37-16-23(26(29)27-30)28(14-19-5-12-24-25(13-19)36-17-35-24)38(31,32)22-10-8-21(34-2)9-11-22/h3-13,23,30H,14-17H2,1-2H3,(H,27,29)/t23-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 32 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Bioscience
Curated by ChEMBL
| Assay Description
Inhibitory activity against Procollagen C-Proteinase (PCP) |
Bioorg Med Chem Lett 12: 1233-5 (2002)
BindingDB Entry DOI: 10.7270/Q29C6WR3 |
More data for this
Ligand-Target Pair | |
Bone morphogenetic protein 1
(Homo sapiens (Human)) | BDBM50111835
((R)-2-[Benzo[1,3]dioxol-5-ylmethyl-(4-methoxy-benz...)Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccc2OCOc2c1)[C@H](Cc1ccc(cc1)[N+]([O-])=O)C(=O)NO Show InChI InChI=1S/C24H23N3O9S/c1-34-19-7-9-20(10-8-19)37(32,33)26(14-17-4-11-22-23(13-17)36-15-35-22)21(24(28)25-29)12-16-2-5-18(6-3-16)27(30)31/h2-11,13,21,29H,12,14-15H2,1H3,(H,25,28)/t21-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 32 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Bioscience
Curated by ChEMBL
| Assay Description
Inhibitory activity against Procollagen C-Proteinase (PCP) |
Bioorg Med Chem Lett 12: 1233-5 (2002)
BindingDB Entry DOI: 10.7270/Q29C6WR3 |
More data for this
Ligand-Target Pair | |
Bone morphogenetic protein 1
(Homo sapiens (Human)) | BDBM50093840
((2S,3S)-2-(4,5-Dibromo-thiophene-2-sulfonylamino)-...)Show SMILES CC[C@H](C)[C@H](NS(=O)(=O)c1cc(Br)c(Br)s1)C(=O)NC(Cc1cscn1)C(=O)NO Show InChI InChI=1S/C16H20Br2N4O5S3/c1-3-8(2)13(22-30(26,27)12-5-10(17)14(18)29-12)16(24)20-11(15(23)21-25)4-9-6-28-7-19-9/h5-8,11,13,22,25H,3-4H2,1-2H3,(H,20,24)(H,21,23)/t8-,11?,13-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| n/a | n/a | 32 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Bioscience
Curated by ChEMBL
| Assay Description
Inhibitory effect against Procollagen C-terminal proteinase |
Bioorg Med Chem Lett 10: 2513-6 (2001)
BindingDB Entry DOI: 10.7270/Q2KP81F2 |
More data for this
Ligand-Target Pair | |
Bone morphogenetic protein 1
(Homo sapiens (Human)) | BDBM50111824
((R)-2-[Benzo[1,3]dioxol-5-ylmethyl-(4-methoxy-benz...)Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccc2OCOc2c1)[C@H](Cc1cncn1C(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)NO Show InChI InChI=1S/C40H36N4O7S/c1-49-34-18-20-35(21-19-34)52(47,48)44(26-29-17-22-37-38(23-29)51-28-50-37)36(39(45)42-46)24-33-25-41-27-43(33)40(30-11-5-2-6-12-30,31-13-7-3-8-14-31)32-15-9-4-10-16-32/h2-23,25,27,36,46H,24,26,28H2,1H3,(H,42,45)/t36-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 36 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Bioscience
Curated by ChEMBL
| Assay Description
Inhibitory activity against Procollagen C-Proteinase (PCP) |
Bioorg Med Chem Lett 12: 1233-5 (2002)
BindingDB Entry DOI: 10.7270/Q29C6WR3 |
More data for this
Ligand-Target Pair | |
Bone morphogenetic protein 1
(Homo sapiens (Human)) | BDBM50111822
((R)-2-[(4-Bromo-benzyl)-(4-methoxy-benzenesulfonyl...)Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccc(Br)cc1)[C@H](C)C(=O)NO Show InChI InChI=1S/C17H19BrN2O5S/c1-12(17(21)19-22)20(11-13-3-5-14(18)6-4-13)26(23,24)16-9-7-15(25-2)8-10-16/h3-10,12,22H,11H2,1-2H3,(H,19,21)/t12-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 37 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Bioscience
Curated by ChEMBL
| Assay Description
Inhibitory activity against Procollagen C-Proteinase (PCP) |
Bioorg Med Chem Lett 12: 1233-5 (2002)
BindingDB Entry DOI: 10.7270/Q29C6WR3 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50344129
(6-(2,4-difluorophenoxy)-N-(1-(methylsulfonyl)piper...)Show SMILES CS(=O)(=O)N1CCC(CC1)Nc1[nH]nc2nc(Oc3ccc(F)cc3F)ncc12 Show InChI InChI=1S/C17H18F2N6O3S/c1-29(26,27)25-6-4-11(5-7-25)21-15-12-9-20-17(22-16(12)24-23-15)28-14-3-2-10(18)8-13(14)19/h2-3,8-9,11H,4-7H2,1H3,(H2,20,21,22,23,24) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | 38 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Palo Alto
Curated by ChEMBL
| Assay Description
Inhibition of p38alpha assessed as [33P]gamma-ATP incorporation into myelin basic protein |
Bioorg Med Chem Lett 21: 3452-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.03.098
BindingDB Entry DOI: 10.7270/Q26H4HR7 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 8
(Homo sapiens (Human)) | BDBM50402837
(CHEMBL2204107)Show SMILES CCNC(=O)c1ccc(Cc2c(C(=O)OC)n(-c3ccccc3)c3cc(Cl)ccc3c2=O)cc1 Show InChI InChI=1S/C27H23ClN2O4/c1-3-29-26(32)18-11-9-17(10-12-18)15-22-24(27(33)34-2)30(20-7-5-4-6-8-20)23-16-19(28)13-14-21(23)25(22)31/h4-14,16H,3,15H2,1-2H3,(H,29,32) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 38 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Palo Alto
Curated by ChEMBL
| Assay Description
Inhibition of human JNK1 alpha1 using GST-tagged ATF2 as substrate and [gamma33P]ATP incubated for 10 mins prior to substrate addition measured after... |
Bioorg Med Chem Lett 22: 7381-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.10.066
BindingDB Entry DOI: 10.7270/Q27S7PZ6 |
More data for this
Ligand-Target Pair | |
Bone morphogenetic protein 1
(Homo sapiens (Human)) | BDBM50111860
((R)-N-Hydroxy-2-[(4-methoxy-benzenesulfonyl)-(3-ph...)Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1sccc1Oc1ccccc1)[C@H](C)C(=O)NO Show InChI InChI=1S/C21H22N2O6S2/c1-15(21(24)22-25)23(31(26,27)18-10-8-16(28-2)9-11-18)14-20-19(12-13-30-20)29-17-6-4-3-5-7-17/h3-13,15,25H,14H2,1-2H3,(H,22,24)/t15-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Bioscience
Curated by ChEMBL
| Assay Description
Inhibitory activity against Procollagen C-Proteinase (PCP) |
Bioorg Med Chem Lett 12: 1233-5 (2002)
BindingDB Entry DOI: 10.7270/Q29C6WR3 |
More data for this
Ligand-Target Pair | |
Bone morphogenetic protein 1
(Homo sapiens (Human)) | BDBM50111843
((R)-2-[Benzo[1,3]dioxol-5-ylmethyl-(4-methoxy-benz...)Show SMILES COc1ccc(C[C@@H](N(Cc2ccc3OCOc3c2)S(=O)(=O)c2ccc(OC)cc2)C(=O)NO)cc1 Show InChI InChI=1S/C25H26N2O8S/c1-32-19-6-3-17(4-7-19)13-22(25(28)26-29)27(15-18-5-12-23-24(14-18)35-16-34-23)36(30,31)21-10-8-20(33-2)9-11-21/h3-12,14,22,29H,13,15-16H2,1-2H3,(H,26,28)/t22-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Bioscience
Curated by ChEMBL
| Assay Description
Inhibitory activity against Procollagen C-Proteinase (PCP) |
Bioorg Med Chem Lett 12: 1233-5 (2002)
BindingDB Entry DOI: 10.7270/Q29C6WR3 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 8
(Homo sapiens (Human)) | BDBM50373215
(CHEMBL259060)Show SMILES COC(=O)c1c(-c2ccccc2)c2cc(Br)ccc2c(=O)n1Cc1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C25H20BrNO5S/c1-32-25(29)23-22(17-6-4-3-5-7-17)21-14-18(26)10-13-20(21)24(28)27(23)15-16-8-11-19(12-9-16)33(2,30)31/h3-14H,15H2,1-2H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 43 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Palo Alto
Curated by ChEMBL
| Assay Description
Inhibition of human JNK1 alpha1 using GST-tagged ATF2 as substrate and [gamma33P]ATP incubated for 10 mins prior to substrate addition measured after... |
Bioorg Med Chem Lett 22: 7381-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.10.066
BindingDB Entry DOI: 10.7270/Q27S7PZ6 |
More data for this
Ligand-Target Pair | |
Bone morphogenetic protein 1
(Homo sapiens (Human)) | BDBM50093876
(CHEMBL83127 | {1-[(1S,2R)-1-((S)-1-Hydroxycarbamoy...)Show SMILES CC[C@@H](C)[C@H](NC(=O)C(CCSC)NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1cscn1)C(=O)NO Show InChI InChI=1S/C25H35N5O6S2/c1-4-16(2)21(24(33)27-20(23(32)30-35)12-18-14-38-15-26-18)29-22(31)19(10-11-37-3)28-25(34)36-13-17-8-6-5-7-9-17/h5-9,14-16,19-21,35H,4,10-13H2,1-3H3,(H,27,33)(H,28,34)(H,29,31)(H,30,32)/t16-,19?,20+,21+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 43 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Bioscience
Curated by ChEMBL
| Assay Description
Inhibitory effect against Procollagen C-terminal proteinase |
Bioorg Med Chem Lett 10: 2513-6 (2001)
BindingDB Entry DOI: 10.7270/Q2KP81F2 |
More data for this
Ligand-Target Pair | |
Bone morphogenetic protein 1
(Homo sapiens (Human)) | BDBM50093837
((2R,3R)-2-(4-Chloro-4,6-dimethyl-cyclohexa-1,5-die...)Show SMILES CC[C@@H](C)[C@@H](NS(=O)(=O)C1=CCC(C)(Cl)C=C1C)C(=O)N[C@H](Cc1cscn1)C(=O)NO |c:15,t:9| Show InChI InChI=1S/C20H29ClN4O5S2/c1-5-12(2)17(25-32(29,30)16-6-7-20(4,21)9-13(16)3)19(27)23-15(18(26)24-28)8-14-10-31-11-22-14/h6,9-12,15,17,25,28H,5,7-8H2,1-4H3,(H,23,27)(H,24,26)/t12-,15-,17-,20?/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| n/a | n/a | 43 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Bioscience
Curated by ChEMBL
| Assay Description
Inhibitory effect against Procollagen C-terminal proteinase |
Bioorg Med Chem Lett 10: 2513-6 (2001)
BindingDB Entry DOI: 10.7270/Q2KP81F2 |
More data for this
Ligand-Target Pair | |
Bone morphogenetic protein 1
(Homo sapiens (Human)) | BDBM50093869
(CHEMBL86076 | {1-[(1S,2R)-1-((S)-1-Hydroxycarbamoy...)Show SMILES CC[C@@H](C)[C@H](NC(=O)C(Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1cscn1)C(=O)NO Show InChI InChI=1S/C29H35N5O6S/c1-3-19(2)25(28(37)31-24(27(36)34-39)15-22-17-41-18-30-22)33-26(35)23(14-20-10-6-4-7-11-20)32-29(38)40-16-21-12-8-5-9-13-21/h4-13,17-19,23-25,39H,3,14-16H2,1-2H3,(H,31,37)(H,32,38)(H,33,35)(H,34,36)/t19-,23?,24+,25+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 44 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Bioscience
Curated by ChEMBL
| Assay Description
Inhibitory effect against Procollagen C-terminal proteinase |
Bioorg Med Chem Lett 10: 2513-6 (2001)
BindingDB Entry DOI: 10.7270/Q2KP81F2 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 8
(Homo sapiens (Human)) | BDBM50402838
(CHEMBL2204114)Show SMILES CCNC(=O)c1ccc(Cc2c(C(=O)OC)n(-c3ccccc3)c3nc(C)ccc3c2=O)cc1 Show InChI InChI=1S/C27H25N3O4/c1-4-28-26(32)19-13-11-18(12-14-19)16-22-23(27(33)34-3)30(20-8-6-5-7-9-20)25-21(24(22)31)15-10-17(2)29-25/h5-15H,4,16H2,1-3H3,(H,28,32) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 45 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Palo Alto
Curated by ChEMBL
| Assay Description
Inhibition of human JNK1 alpha1 using GST-tagged ATF2 as substrate and [gamma33P]ATP incubated for 10 mins prior to substrate addition measured after... |
Bioorg Med Chem Lett 22: 7381-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.10.066
BindingDB Entry DOI: 10.7270/Q27S7PZ6 |
More data for this
Ligand-Target Pair | |
Bone morphogenetic protein 1
(Homo sapiens (Human)) | BDBM50111859
((S)-2-[Benzo[1,3]dioxol-5-ylmethyl-(4-methoxy-benz...)Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccc2OCOc2c1)[C@H](CSc1ccc(C)cc1)C(=O)NO Show InChI InChI=1S/C25H26N2O7S2/c1-17-3-8-20(9-4-17)35-15-22(25(28)26-29)27(14-18-5-12-23-24(13-18)34-16-33-23)36(30,31)21-10-6-19(32-2)7-11-21/h3-13,22,29H,14-16H2,1-2H3,(H,26,28)/t22-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 45 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Bioscience
Curated by ChEMBL
| Assay Description
Inhibitory activity against Procollagen C-Proteinase (PCP) |
Bioorg Med Chem Lett 12: 1233-5 (2002)
BindingDB Entry DOI: 10.7270/Q29C6WR3 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50344123
((R)-6-(2,4-difluorophenoxy)-N-(1-(methylsulfonyl)p...)Show SMILES C[C@H](CS(C)(=O)=O)Nc1[nH]nc2nc(Oc3ccc(F)cc3F)ncc12 |r| Show InChI InChI=1S/C15H15F2N5O3S/c1-8(7-26(2,23)24)19-13-10-6-18-15(20-14(10)22-21-13)25-12-4-3-9(16)5-11(12)17/h3-6,8H,7H2,1-2H3,(H2,18,19,20,21,22)/t8-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
UniChem
Patents
Similars
| MMDB
Article
PubMed
| n/a | n/a | 45 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Palo Alto
Curated by ChEMBL
| Assay Description
Inhibition of p38alpha assessed as [33P]gamma-ATP incorporation into myelin basic protein |
Bioorg Med Chem Lett 21: 3452-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.03.098
BindingDB Entry DOI: 10.7270/Q26H4HR7 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 8
(Homo sapiens (Human)) | BDBM50402835
(CHEMBL2204106)Show SMILES CNS(=O)(=O)c1ccc(Cc2c(C(=O)OC)n(-c3ccccc3)c3cc(Cl)ccc3c2=O)cc1 Show InChI InChI=1S/C25H21ClN2O5S/c1-27-34(31,32)19-11-8-16(9-12-19)14-21-23(25(30)33-2)28(18-6-4-3-5-7-18)22-15-17(26)10-13-20(22)24(21)29/h3-13,15,27H,14H2,1-2H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 47 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Palo Alto
Curated by ChEMBL
| Assay Description
Inhibition of human JNK1 alpha1 using GST-tagged ATF2 as substrate and [gamma33P]ATP incubated for 10 mins prior to substrate addition measured after... |
Bioorg Med Chem Lett 22: 7381-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.10.066
BindingDB Entry DOI: 10.7270/Q27S7PZ6 |
More data for this
Ligand-Target Pair | |
Bone morphogenetic protein 1
(Homo sapiens (Human)) | BDBM50093872
((2R,3R)-3-Methyl-2-(2,4,5-trichloro-benzenesulfony...)Show SMILES CC[C@@H](C)[C@@H](NS(=O)(=O)c1cc(Cl)c(Cl)cc1Cl)C(=O)N[C@H](Cc1cscn1)C(=O)NO Show InChI InChI=1S/C18H21Cl3N4O5S2/c1-3-9(2)16(25-32(29,30)15-6-12(20)11(19)5-13(15)21)18(27)23-14(17(26)24-28)4-10-7-31-8-22-10/h5-9,14,16,25,28H,3-4H2,1-2H3,(H,23,27)(H,24,26)/t9-,14-,16-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 49 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Bioscience
Curated by ChEMBL
| Assay Description
Inhibitory effect against Procollagen C-terminal proteinase |
Bioorg Med Chem Lett 10: 2513-6 (2001)
BindingDB Entry DOI: 10.7270/Q2KP81F2 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 9
(Homo sapiens (Human)) | BDBM50402841
(CHEMBL2204108)Show SMILES COC(=O)c1c(Cc2ccc(cc2)S(=O)(=O)N2CCNCC2)c(=O)c2ccc(Cl)cc2n1-c1ccccc1 Show InChI InChI=1S/C28H26ClN3O5S/c1-37-28(34)26-24(17-19-7-10-22(11-8-19)38(35,36)31-15-13-30-14-16-31)27(33)23-12-9-20(29)18-25(23)32(26)21-5-3-2-4-6-21/h2-12,18,30H,13-17H2,1H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Palo Alto
Curated by ChEMBL
| Assay Description
Inhibition of human JNK2 alpha2 using GST-tagged ATF2 as substrate and [gamma33P]ATP incubated for 10 mins prior to substrate addition measured after... |
Bioorg Med Chem Lett 22: 7381-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.10.066
BindingDB Entry DOI: 10.7270/Q27S7PZ6 |
More data for this
Ligand-Target Pair | |
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