Found 379 hits with Last Name = 'guarnieri' and Initial = 'f' 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 |
|---|
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50117177
(1N-[2-hydroxy-1-methyl-(1R)-ethyl]-2-methyl-(2R,5Z...)Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CC[C@@H](C)C(=O)N[C@H](C)CO Show InChI InChI=1S/C24H41NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22(2)24(27)25-23(3)21-26/h8-9,11-12,14-15,17-18,22-23,26H,4-7,10,13,16,19-21H2,1-3H3,(H,25,27)/b9-8-,12-11-,15-14-,18-17-/t22-,23-/m1/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| 7.42 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kennesaw State University
Curated by ChEMBL
| Assay Description
Compound was evaluated for its binding affinity towards Cannabinoid receptor 1 [Inactive form(R) of CB1 receptor] |
J Med Chem 45: 3649-59 (2002)
BindingDB Entry DOI: 10.7270/Q2DB815G |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM85675
(Anandamide + PMSF | CHEMBL321585)Show InChI InChI=1S/C24H41NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24(27)25-22-23-26/h6-7,9-10,12-13,15-16,26H,2-5,8,11,14,17-23H2,1H3,(H,25,27)/b7-6-,10-9-,13-12-,16-15- | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| PubMed
| 34.4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kennesaw State University
Curated by ChEMBL
| Assay Description
Compound was evaluated for its binding affinity towards Cannabinoid receptor 1 [Inactive form(R) of CB1 receptor] |
J Med Chem 45: 3649-59 (2002)
BindingDB Entry DOI: 10.7270/Q2DB815G |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM22988
((5Z,8Z,11Z,14Z)-N-(2-hydroxyethyl)icosa-5,8,11,14-...)Show InChI InChI=1S/C22H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(25)23-20-21-24/h6-7,9-10,12-13,15-16,24H,2-5,8,11,14,17-21H2,1H3,(H,23,25)/b7-6-,10-9-,13-12-,16-15- | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
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| Purchase
CHEMBL
KEGG
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PubMed
| 39.2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kennesaw State University
Curated by ChEMBL
| Assay Description
Compound was evaluated for its binding affinity towards Cannabinoid receptor 1 [Inactive form(R) of CB1 receptor] |
J Med Chem 45: 3649-59 (2002)
BindingDB Entry DOI: 10.7270/Q2DB815G |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50056457
((8Z,11Z,14Z)-N-(2-hydroxyethyl)icosa-8,11,14-trien...)Show InChI InChI=1S/C22H39NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(25)23-20-21-24/h6-7,9-10,12-13,24H,2-5,8,11,14-21H2,1H3,(H,23,25)/b7-6-,10-9-,13-12- | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
KEGG
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| 53.4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kennesaw State University
Curated by ChEMBL
| Assay Description
Compound was evaluated for its binding affinity towards Cannabinoid receptor 1 [Inactive form(R) of CB1 receptor] |
J Med Chem 45: 3649-59 (2002)
BindingDB Entry DOI: 10.7270/Q2DB815G |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50117178
(1N-[2-hydroxy-1-methyl-(1R)-ethyl]-2-methyl-(2S,5Z...)Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CC[C@H](C)C(=O)N[C@H](C)CO Show InChI InChI=1S/C24H41NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22(2)24(27)25-23(3)21-26/h8-9,11-12,14-15,17-18,22-23,26H,4-7,10,13,16,19-21H2,1-3H3,(H,25,27)/b9-8-,12-11-,15-14-,18-17-/t22-,23+/m0/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 185 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kennesaw State University
Curated by ChEMBL
| Assay Description
Compound was evaluated for its binding affinity towards Cannabinoid receptor 1 [Inactive form(R) of CB1 receptor] |
J Med Chem 45: 3649-59 (2002)
BindingDB Entry DOI: 10.7270/Q2DB815G |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50117180
(1N-[2-hydroxy-1-methyl-(1S)-ethyl]-2-methyl-(2R,5Z...)Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CC[C@@H](C)C(=O)N[C@@H](C)CO Show InChI InChI=1S/C24H41NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22(2)24(27)25-23(3)21-26/h8-9,11-12,14-15,17-18,22-23,26H,4-7,10,13,16,19-21H2,1-3H3,(H,25,27)/b9-8-,12-11-,15-14-,18-17-/t22-,23+/m1/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 233 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kennesaw State University
Curated by ChEMBL
| Assay Description
Compound was evaluated for its binding affinity towards Cannabinoid receptor 1 [Inactive form(R) of CB1 receptor] |
J Med Chem 45: 3649-59 (2002)
BindingDB Entry DOI: 10.7270/Q2DB815G |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50117179
(1N-[2-hydroxy-1-methyl-(1S)-ethyl]-2-methyl-(2S,5Z...)Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CC[C@H](C)C(=O)N[C@@H](C)CO Show InChI InChI=1S/C24H41NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22(2)24(27)25-23(3)21-26/h8-9,11-12,14-15,17-18,22-23,26H,4-7,10,13,16,19-21H2,1-3H3,(H,25,27)/b9-8-,12-11-,15-14-,18-17-/t22-,23-/m0/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 389 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kennesaw State University
Curated by ChEMBL
| Assay Description
Compound was evaluated for its binding affinity towards Cannabinoid receptor 1 [Inactive form(R) of CB1 receptor] |
J Med Chem 45: 3649-59 (2002)
BindingDB Entry DOI: 10.7270/Q2DB815G |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50056456
((11Z,14Z)-Icosa-11,14-dienoic acid (2-hydroxy-ethy...)Show InChI InChI=1S/C22H41NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(25)23-20-21-24/h6-7,9-10,24H,2-5,8,11-21H2,1H3,(H,23,25)/b7-6-,10-9- | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
KEGG
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| >1.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kennesaw State University
Curated by ChEMBL
| Assay Description
Compound was evaluated for its binding affinity towards Cannabinoid receptor 1 [Inactive form(R) of CB1 receptor] |
J Med Chem 45: 3649-59 (2002)
BindingDB Entry DOI: 10.7270/Q2DB815G |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM17950
((2S,4S,5S,7S)-5-amino-N-(2-carbamoyl-2,2-dimethyle...)Show SMILES COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@@H](C(C)C)C(=O)NCC(C)(C)C(N)=O)C(C)C)ccc1OC |r| Show InChI InChI=1S/C30H53N3O6/c1-19(2)22(14-21-10-11-26(38-8)27(15-21)39-13-9-12-37-7)16-24(31)25(34)17-23(20(3)4)28(35)33-18-30(5,6)29(32)36/h10-11,15,19-20,22-25,34H,9,12-14,16-18,31H2,1-8H3,(H2,32,36)(H,33,35)/t22-,23-,24-,25-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
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| Purchase
CHEMBL
DrugBank
MCE
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PC cid
PC sid
PDB
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Similars
| DrugBank
MMDB
PDB
Article
PubMed
| n/a | n/a | 0.600 | n/a | n/a | n/a | n/a | n/a | n/a |
BioLeap, Inc., 6350 Quadrangle Drive, Suite 110, Chapel Hill, NC 27517, United States. Electronic address: isclou@gmail.com.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human renin |
Bioorg Med Chem 25: 3947-3963 (2017)
Article DOI: 10.1016/j.bmc.2017.05.032
BindingDB Entry DOI: 10.7270/Q2X63QD8 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Renin
(Homo sapiens (Human)) | BDBM17989
(1,4-benzoxazin-3-one, 26 | N-{2-[6-(2,4-diamino-6-...)Show SMILES CCc1nc(N)nc(N)c1-c1ccc2OC(C)(C(=O)N(CCNC(C)=O)c2c1)c1cc(F)cc(F)c1 Show InChI InChI=1S/C25H26F2N6O3/c1-4-18-21(22(28)32-24(29)31-18)14-5-6-20-19(9-14)33(8-7-30-13(2)34)23(35)25(3,36-20)15-10-16(26)12-17(27)11-15/h5-6,9-12H,4,7-8H2,1-3H3,(H,30,34)(H4,28,29,31,32) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
BioLeap, Inc., 6350 Quadrangle Drive, Suite 110, Chapel Hill, NC 27517, United States. Electronic address: isclou@gmail.com.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human renin |
Bioorg Med Chem 25: 3947-3963 (2017)
Article DOI: 10.1016/j.bmc.2017.05.032
BindingDB Entry DOI: 10.7270/Q2X63QD8 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50359351
(CHEMBL1929230)Show SMILES CC(C)(C)c1cc(C(=O)N2CCNC(=O)CC2)c(NC(=O)Nc2ccc(F)c(Cl)c2Cl)s1 Show InChI InChI=1S/C21H23Cl2FN4O3S/c1-21(2,3)14-10-11(19(30)28-8-6-15(29)25-7-9-28)18(32-14)27-20(31)26-13-5-4-12(24)16(22)17(13)23/h4-5,10H,6-9H2,1-3H3,(H,25,29)(H2,26,27,31) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Ansaris
Curated by ChEMBL
| Assay Description
Inhibition of p38alpha assessed as [33P]gamma-ATP incorporation into GST-ATF2 substrate preincubated for 20 mins before substrate addition measured a... |
Bioorg Med Chem Lett 21: 7155-65 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.078
BindingDB Entry DOI: 10.7270/Q2NC61NH |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM17950
((2S,4S,5S,7S)-5-amino-N-(2-carbamoyl-2,2-dimethyle...)Show SMILES COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@@H](C(C)C)C(=O)NCC(C)(C)C(N)=O)C(C)C)ccc1OC |r| Show InChI InChI=1S/C30H53N3O6/c1-19(2)22(14-21-10-11-26(38-8)27(15-21)39-13-9-12-37-7)16-24(31)25(34)17-23(20(3)4)28(35)33-18-30(5,6)29(32)36/h10-11,15,19-20,22-25,34H,9,12-14,16-18,31H2,1-8H3,(H2,32,36)(H,33,35)/t22-,23-,24-,25-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| DrugBank
MMDB
PDB
Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
BioLeap, Inc., 6350 Quadrangle Drive, Suite 110, Chapel Hill, NC 27517, United States. Electronic address: isclou@gmail.com.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human renin using 5-FAM/QXL 520 as substrate pretreated for 30 mins followed by substrate addition measured at 1 min interv... |
Bioorg Med Chem 25: 3947-3963 (2017)
Article DOI: 10.1016/j.bmc.2017.05.032
BindingDB Entry DOI: 10.7270/Q2X63QD8 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50359344
(CHEMBL1929224)Show SMILES CC(C)(C)c1cc(C(=O)N2CCNC(=O)CC2)c(NC(=O)Nc2ccc(C#N)c3ccccc23)s1 Show InChI InChI=1S/C26H27N5O3S/c1-26(2,3)21-14-19(24(33)31-12-10-22(32)28-11-13-31)23(35-21)30-25(34)29-20-9-8-16(15-27)17-6-4-5-7-18(17)20/h4-9,14H,10-13H2,1-3H3,(H,28,32)(H2,29,30,34) | 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 | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Ansaris
Curated by ChEMBL
| Assay Description
Inhibition of p38alpha assessed as [33P]gamma-ATP incorporation into GST-ATF2 substrate preincubated for 20 mins before substrate addition measured a... |
Bioorg Med Chem Lett 21: 7155-65 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.078
BindingDB Entry DOI: 10.7270/Q2NC61NH |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50330347
(6-(2,4-diamino-6-ethyl-pyrimidin-5-yl)-2-(3,5-difl...)Show SMILES CCc1nc(N)nc(N)c1-c1ccc2OC(C)(C(=O)N(CCCOC)c2c1)c1cc(F)cc(F)c1 |w:15.16| Show InChI InChI=1S/C25H27F2N5O3/c1-4-18-21(22(28)31-24(29)30-18)14-6-7-20-19(10-14)32(8-5-9-34-3)23(33)25(2,35-20)15-11-16(26)13-17(27)12-15/h6-7,10-13H,4-5,8-9H2,1-3H3,(H4,28,29,30,31) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
BioLeap, Inc., 6350 Quadrangle Drive, Suite 110, Chapel Hill, NC 27517, United States. Electronic address: isclou@gmail.com.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human renin |
Bioorg Med Chem 25: 3947-3963 (2017)
Article DOI: 10.1016/j.bmc.2017.05.032
BindingDB Entry DOI: 10.7270/Q2X63QD8 |
More data for this
Ligand-Target Pair |
3D Structure (docked) |
Mitogen-activated protein kinase 11
(Homo sapiens (Human)) | BDBM13533
(1-[2-(4-methylphenyl)-5-tert-butyl-pyrazol-3-yl]-3...)Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(OCCN2CCOCC2)c2ccccc12)C(C)(C)C Show InChI InChI=1S/C31H37N5O3/c1-22-9-11-23(12-10-22)36-29(21-28(34-36)31(2,3)4)33-30(37)32-26-13-14-27(25-8-6-5-7-24(25)26)39-20-17-35-15-18-38-19-16-35/h5-14,21H,15-20H2,1-4H3,(H2,32,33,37) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
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| Purchase
CHEMBL
DrugBank
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
Ansaris
Curated by ChEMBL
| Assay Description
Inhibition of P38beta2 |
Bioorg Med Chem Lett 21: 7155-65 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.078
BindingDB Entry DOI: 10.7270/Q2NC61NH |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50359346
(CHEMBL1926710)Show SMILES CC(C)(C)c1cc(C(=O)N2CCNC(=O)CC2)c(NC(=O)Nc2cccc(Cl)c2Cl)s1 Show InChI InChI=1S/C21H24Cl2N4O3S/c1-21(2,3)15-11-12(19(29)27-9-7-16(28)24-8-10-27)18(31-15)26-20(30)25-14-6-4-5-13(22)17(14)23/h4-6,11H,7-10H2,1-3H3,(H,24,28)(H2,25,26,30) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Ansaris
Curated by ChEMBL
| Assay Description
Inhibition of p38alpha assessed as [33P]gamma-ATP incorporation into GST-ATF2 substrate preincubated for 20 mins before substrate addition measured a... |
Bioorg Med Chem Lett 21: 7155-65 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.078
BindingDB Entry DOI: 10.7270/Q2NC61NH |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 9
(Homo sapiens (Human)) | BDBM13533
(1-[2-(4-methylphenyl)-5-tert-butyl-pyrazol-3-yl]-3...)Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(OCCN2CCOCC2)c2ccccc12)C(C)(C)C Show InChI InChI=1S/C31H37N5O3/c1-22-9-11-23(12-10-22)36-29(21-28(34-36)31(2,3)4)33-30(37)32-26-13-14-27(25-8-6-5-7-24(25)26)39-20-17-35-15-18-38-19-16-35/h5-14,21H,15-20H2,1-4H3,(H2,32,33,37) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
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Ansaris
Curated by ChEMBL
| Assay Description
Inhibition of JNK2alpha2 |
Bioorg Med Chem Lett 21: 7155-65 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.078
BindingDB Entry DOI: 10.7270/Q2NC61NH |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50359336
(CHEMBL1929216)Show SMILES CC(C)(C)c1cc(C(=O)N2CCNC(=O)CC2)c(NC(=O)Nc2ccc3ccccc3c2)s1 Show InChI InChI=1S/C25H28N4O3S/c1-25(2,3)20-15-19(23(31)29-12-10-21(30)26-11-13-29)22(33-20)28-24(32)27-18-9-8-16-6-4-5-7-17(16)14-18/h4-9,14-15H,10-13H2,1-3H3,(H,26,30)(H2,27,28,32) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
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B.MOAD
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| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Ansaris
Curated by ChEMBL
| Assay Description
Inhibition of p38alpha assessed as [33P]gamma-ATP incorporation into GST-ATF2 substrate preincubated for 20 mins before substrate addition measured a... |
Bioorg Med Chem Lett 21: 7155-65 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.078
BindingDB Entry DOI: 10.7270/Q2NC61NH |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50359342
(CHEMBL1929222)Show SMILES CC(C)(C)c1cc(C(=O)N2CCNC(=O)C2)c(NC(=O)Nc2ccc3ccccc3c2)s1 Show InChI InChI=1S/C24H26N4O3S/c1-24(2,3)19-13-18(22(30)28-11-10-25-20(29)14-28)21(32-19)27-23(31)26-17-9-8-15-6-4-5-7-16(15)12-17/h4-9,12-13H,10-11,14H2,1-3H3,(H,25,29)(H2,26,27,31) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
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| CHEMBL
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PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Ansaris
Curated by ChEMBL
| Assay Description
Inhibition of p38alpha assessed as [33P]gamma-ATP incorporation into GST-ATF2 substrate preincubated for 20 mins before substrate addition measured a... |
Bioorg Med Chem Lett 21: 7155-65 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.078
BindingDB Entry DOI: 10.7270/Q2NC61NH |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50359347
(CHEMBL1929226)Show SMILES CC(C)(C)c1cc(C(=O)N2CCNC(=O)CC2)c(NC(=O)Nc2ccc(Cl)c(Cl)c2)s1 Show InChI InChI=1S/C21H24Cl2N4O3S/c1-21(2,3)16-11-13(19(29)27-8-6-17(28)24-7-9-27)18(31-16)26-20(30)25-12-4-5-14(22)15(23)10-12/h4-5,10-11H,6-9H2,1-3H3,(H,24,28)(H2,25,26,30) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
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| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Ansaris
Curated by ChEMBL
| Assay Description
Inhibition of p38alpha assessed as [33P]gamma-ATP incorporation into GST-ATF2 substrate preincubated for 20 mins before substrate addition measured a... |
Bioorg Med Chem Lett 21: 7155-65 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.078
BindingDB Entry DOI: 10.7270/Q2NC61NH |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50359354
(CHEMBL1929233)Show SMILES CC(C)(C)c1cc(C(=O)N2CCN(CC(N)=O)C(=O)CC2)c(NC(=O)Nc2cccc(Cl)c2Cl)s1 Show InChI InChI=1S/C23H27Cl2N5O4S/c1-23(2,3)16-11-13(21(33)29-8-7-18(32)30(10-9-29)12-17(26)31)20(35-16)28-22(34)27-15-6-4-5-14(24)19(15)25/h4-6,11H,7-10,12H2,1-3H3,(H2,26,31)(H2,27,28,34) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
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| CHEMBL
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PC sid
UniChem
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PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Ansaris
Curated by ChEMBL
| Assay Description
Inhibition of p38alpha assessed as [33P]gamma-ATP incorporation into GST-ATF2 substrate preincubated for 20 mins before substrate addition measured a... |
Bioorg Med Chem Lett 21: 7155-65 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.078
BindingDB Entry DOI: 10.7270/Q2NC61NH |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50359352
(CHEMBL1929231)Show SMILES COCCOCCN1CCN(CCC1=O)C(=O)c1cc(sc1NC(=O)Nc1cccc(Cl)c1Cl)C(C)(C)C Show InChI InChI=1S/C26H34Cl2N4O5S/c1-26(2,3)20-16-17(23(38-20)30-25(35)29-19-7-5-6-18(27)22(19)28)24(34)32-9-8-21(33)31(10-11-32)12-13-37-15-14-36-4/h5-7,16H,8-15H2,1-4H3,(H2,29,30,35) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
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| CHEMBL
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UniChem
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| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
Ansaris
Curated by ChEMBL
| Assay Description
Inhibition of p38alpha assessed as [33P]gamma-ATP incorporation into GST-ATF2 substrate preincubated for 20 mins before substrate addition measured a... |
Bioorg Med Chem Lett 21: 7155-65 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.078
BindingDB Entry DOI: 10.7270/Q2NC61NH |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50359339
(CHEMBL1929219)Show SMILES CC(C)(C)c1cc(C(=O)N2CCNS(=O)(=O)CC2)c(NC(=O)Nc2ccc3ccccc3c2)s1 Show InChI InChI=1S/C24H28N4O4S2/c1-24(2,3)20-15-19(22(29)28-11-10-25-34(31,32)13-12-28)21(33-20)27-23(30)26-18-9-8-16-6-4-5-7-17(16)14-18/h4-9,14-15,25H,10-13H2,1-3H3,(H2,26,27,30) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
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| CHEMBL
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UniChem
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| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
Ansaris
Curated by ChEMBL
| Assay Description
Inhibition of p38alpha assessed as [33P]gamma-ATP incorporation into GST-ATF2 substrate preincubated for 20 mins before substrate addition measured a... |
Bioorg Med Chem Lett 21: 7155-65 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.078
BindingDB Entry DOI: 10.7270/Q2NC61NH |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50359361
(CHEMBL1929215)Show SMILES CC(C)(C)c1cc(C(=O)N2CCNC(=O)CC2)c(NC(=O)Nc2cccc3ccccc23)s1 Show InChI InChI=1S/C25H28N4O3S/c1-25(2,3)20-15-18(23(31)29-13-11-21(30)26-12-14-29)22(33-20)28-24(32)27-19-10-6-8-16-7-4-5-9-17(16)19/h4-10,15H,11-14H2,1-3H3,(H,26,30)(H2,27,28,32) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
PDB
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Patents
Similars
| PDB
Article
PubMed
| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
Ansaris
Curated by ChEMBL
| Assay Description
Inhibition of p38alpha assessed as [33P]gamma-ATP incorporation into GST-ATF2 substrate preincubated for 20 mins before substrate addition measured a... |
Bioorg Med Chem Lett 21: 7155-65 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.078
BindingDB Entry DOI: 10.7270/Q2NC61NH |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50359356
(CHEMBL1929235)Show SMILES CC(C)(C)c1cc(C(=O)N2CCN(CCC(N)=O)C(=O)CC2)c(NC(=O)Nc2cccc(Cl)c2Cl)s1 Show InChI InChI=1S/C24H29Cl2N5O4S/c1-24(2,3)17-13-14(21(36-17)29-23(35)28-16-6-4-5-15(25)20(16)26)22(34)31-10-8-19(33)30(11-12-31)9-7-18(27)32/h4-6,13H,7-12H2,1-3H3,(H2,27,32)(H2,28,29,35) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
Ansaris
Curated by ChEMBL
| Assay Description
Inhibition of p38alpha assessed as [33P]gamma-ATP incorporation into GST-ATF2 substrate preincubated for 20 mins before substrate addition measured a... |
Bioorg Med Chem Lett 21: 7155-65 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.078
BindingDB Entry DOI: 10.7270/Q2NC61NH |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM17983
(1,4-benzoxazin-3-one, 20 | N-{2-[6-(2,4-diamino-6-...)Show SMILES CCc1nc(N)nc(N)c1-c1ccc2OC(C)(C)C(=O)N(CCNC(C)=O)c2c1 Show InChI InChI=1S/C20H26N6O3/c1-5-13-16(17(21)25-19(22)24-13)12-6-7-15-14(10-12)26(9-8-23-11(2)27)18(28)20(3,4)29-15/h6-7,10H,5,8-9H2,1-4H3,(H,23,27)(H4,21,22,24,25) | PDB
MMDB
Reactome pathway
KEGG
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B.MOAD
DrugBank
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| DrugBank
MMDB
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PC sid
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| MMDB
PDB
Article
PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
BioLeap, Inc., 6350 Quadrangle Drive, Suite 110, Chapel Hill, NC 27517, United States. Electronic address: isclou@gmail.com.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human renin |
Bioorg Med Chem 25: 3947-3963 (2017)
Article DOI: 10.1016/j.bmc.2017.05.032
BindingDB Entry DOI: 10.7270/Q2X63QD8 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM13533
(1-[2-(4-methylphenyl)-5-tert-butyl-pyrazol-3-yl]-3...)Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(OCCN2CCOCC2)c2ccccc12)C(C)(C)C Show InChI InChI=1S/C31H37N5O3/c1-22-9-11-23(12-10-22)36-29(21-28(34-36)31(2,3)4)33-30(37)32-26-13-14-27(25-8-6-5-7-24(25)26)39-20-17-35-15-18-38-19-16-35/h5-14,21H,15-20H2,1-4H3,(H2,32,33,37) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
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B.MOAD
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CHEMBL
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PC sid
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| DrugBank
MMDB
PDB
Article
PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Ansaris
Curated by ChEMBL
| Assay Description
Inhibition of P38alpha |
Bioorg Med Chem Lett 21: 7155-65 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.078
BindingDB Entry DOI: 10.7270/Q2NC61NH |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50359359
(CHEMBL1929238)Show SMILES CN(C)CCN1CCN(CCC1=O)C(=O)c1cc(sc1NC(=O)Nc1cccc(Cl)c1Cl)C(C)(C)C Show InChI InChI=1S/C25H33Cl2N5O3S/c1-25(2,3)19-15-16(22(36-19)29-24(35)28-18-8-6-7-17(26)21(18)27)23(34)32-10-9-20(33)31(13-14-32)12-11-30(4)5/h6-8,15H,9-14H2,1-5H3,(H2,28,29,35) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
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| PDB
Article
PubMed
| n/a | n/a | 22 | n/a | n/a | n/a | n/a | n/a | n/a |
Ansaris
Curated by ChEMBL
| Assay Description
Inhibition of p38alpha assessed as [33P]gamma-ATP incorporation into GST-ATF2 substrate preincubated for 20 mins before substrate addition measured a... |
Bioorg Med Chem Lett 21: 7155-65 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.078
BindingDB Entry DOI: 10.7270/Q2NC61NH |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50359348
(CHEMBL1929227)Show SMILES CC(C)(C)c1cc(C(=O)N2CCNC(=O)CC2)c(NC(=O)Nc2ccc3OCOc3c2)s1 Show InChI InChI=1S/C22H26N4O5S/c1-22(2,3)17-11-14(20(28)26-8-6-18(27)23-7-9-26)19(32-17)25-21(29)24-13-4-5-15-16(10-13)31-12-30-15/h4-5,10-11H,6-9,12H2,1-3H3,(H,23,27)(H2,24,25,29) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
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| Article
PubMed
| n/a | n/a | 22 | n/a | n/a | n/a | n/a | n/a | n/a |
Ansaris
Curated by ChEMBL
| Assay Description
Inhibition of p38alpha assessed as [33P]gamma-ATP incorporation into GST-ATF2 substrate preincubated for 20 mins before substrate addition measured a... |
Bioorg Med Chem Lett 21: 7155-65 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.078
BindingDB Entry DOI: 10.7270/Q2NC61NH |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50359359
(CHEMBL1929238)Show SMILES CN(C)CCN1CCN(CCC1=O)C(=O)c1cc(sc1NC(=O)Nc1cccc(Cl)c1Cl)C(C)(C)C Show InChI InChI=1S/C25H33Cl2N5O3S/c1-25(2,3)19-15-16(22(36-19)29-24(35)28-18-8-6-7-17(26)21(18)27)23(34)32-10-9-20(33)31(13-14-32)12-11-30(4)5/h6-8,15H,9-14H2,1-5H3,(H2,28,29,35) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
Article
PubMed
| n/a | n/a | 22 | n/a | n/a | n/a | n/a | n/a | n/a |
Ansaris
Curated by ChEMBL
| Assay Description
Inhibition of P38alpha |
Bioorg Med Chem Lett 21: 7155-65 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.078
BindingDB Entry DOI: 10.7270/Q2NC61NH |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50359341
(CHEMBL1929221)Show SMILES CC(C)(C)c1cc(C(=O)N2CCNC(=O)C2)c(NC(=O)Nc2cccc3ccccc23)s1 Show InChI InChI=1S/C24H26N4O3S/c1-24(2,3)19-13-17(22(30)28-12-11-25-20(29)14-28)21(32-19)27-23(31)26-18-10-6-8-15-7-4-5-9-16(15)18/h4-10,13H,11-12,14H2,1-3H3,(H,25,29)(H2,26,27,31) | 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 | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
Ansaris
Curated by ChEMBL
| Assay Description
Inhibition of p38alpha assessed as [33P]gamma-ATP incorporation into GST-ATF2 substrate preincubated for 20 mins before substrate addition measured a... |
Bioorg Med Chem Lett 21: 7155-65 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.078
BindingDB Entry DOI: 10.7270/Q2NC61NH |
More data for this
Ligand-Target Pair | |
Angiopoietin-1 receptor
(Homo sapiens (Human)) | BDBM13533
(1-[2-(4-methylphenyl)-5-tert-butyl-pyrazol-3-yl]-3...)Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(OCCN2CCOCC2)c2ccccc12)C(C)(C)C Show InChI InChI=1S/C31H37N5O3/c1-22-9-11-23(12-10-22)36-29(21-28(34-36)31(2,3)4)33-30(37)32-26-13-14-27(25-8-6-5-7-24(25)26)39-20-17-35-15-18-38-19-16-35/h5-14,21H,15-20H2,1-4H3,(H2,32,33,37) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
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| Purchase
CHEMBL
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MCE
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PC sid
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| Article
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| n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
Ansaris
Curated by ChEMBL
| Assay Description
Inhibition of TIE2 |
Bioorg Med Chem Lett 21: 7155-65 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.078
BindingDB Entry DOI: 10.7270/Q2NC61NH |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50359357
(CHEMBL1929236)Show SMILES CC(C)(C)c1cc(C(=O)N2CCN(Cc3nnn[nH]3)C(=O)CC2)c(NC(=O)Nc2cccc(Cl)c2Cl)s1 Show InChI InChI=1S/C23H26Cl2N8O3S/c1-23(2,3)16-11-13(20(37-16)27-22(36)26-15-6-4-5-14(24)19(15)25)21(35)32-8-7-18(34)33(10-9-32)12-17-28-30-31-29-17/h4-6,11H,7-10,12H2,1-3H3,(H2,26,27,36)(H,28,29,30,31) | 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 | 29 | n/a | n/a | n/a | n/a | n/a | n/a |
Ansaris
Curated by ChEMBL
| Assay Description
Inhibition of p38alpha assessed as [33P]gamma-ATP incorporation into GST-ATF2 substrate preincubated for 20 mins before substrate addition measured a... |
Bioorg Med Chem Lett 21: 7155-65 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.078
BindingDB Entry DOI: 10.7270/Q2NC61NH |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase receptor Ret
(Homo sapiens (Human)) | BDBM13533
(1-[2-(4-methylphenyl)-5-tert-butyl-pyrazol-3-yl]-3...)Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(OCCN2CCOCC2)c2ccccc12)C(C)(C)C Show InChI InChI=1S/C31H37N5O3/c1-22-9-11-23(12-10-22)36-29(21-28(34-36)31(2,3)4)33-30(37)32-26-13-14-27(25-8-6-5-7-24(25)26)39-20-17-35-15-18-38-19-16-35/h5-14,21H,15-20H2,1-4H3,(H2,32,33,37) | PDB
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| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
Ansaris
Curated by ChEMBL
| Assay Description
Inhibition of RET |
Bioorg Med Chem Lett 21: 7155-65 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.078
BindingDB Entry DOI: 10.7270/Q2NC61NH |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50359337
(CHEMBL1929217)Show SMILES CC(C)(C)c1cc(C(=O)N2CCNC(=O)CC2)c(NC(=O)Nc2ccc(Cl)cc2)s1 Show InChI InChI=1S/C21H25ClN4O3S/c1-21(2,3)16-12-15(19(28)26-10-8-17(27)23-9-11-26)18(30-16)25-20(29)24-14-6-4-13(22)5-7-14/h4-7,12H,8-11H2,1-3H3,(H,23,27)(H2,24,25,29) | PDB
MMDB
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| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
Ansaris
Curated by ChEMBL
| Assay Description
Inhibition of p38alpha assessed as [33P]gamma-ATP incorporation into GST-ATF2 substrate preincubated for 20 mins before substrate addition measured a... |
Bioorg Med Chem Lett 21: 7155-65 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.078
BindingDB Entry DOI: 10.7270/Q2NC61NH |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 12
(Homo sapiens (Human)) | BDBM13533
(1-[2-(4-methylphenyl)-5-tert-butyl-pyrazol-3-yl]-3...)Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(OCCN2CCOCC2)c2ccccc12)C(C)(C)C Show InChI InChI=1S/C31H37N5O3/c1-22-9-11-23(12-10-22)36-29(21-28(34-36)31(2,3)4)33-30(37)32-26-13-14-27(25-8-6-5-7-24(25)26)39-20-17-35-15-18-38-19-16-35/h5-14,21H,15-20H2,1-4H3,(H2,32,33,37) | PDB
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| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
Ansaris
Curated by ChEMBL
| Assay Description
Inhibition of P38gamma |
Bioorg Med Chem Lett 21: 7155-65 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.078
BindingDB Entry DOI: 10.7270/Q2NC61NH |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50359355
(CHEMBL1929234)Show SMILES CC(C)(C)c1cc(C(=O)N2CCN(CC3COC(C)(C)O3)C(=O)CC2)c(NC(=O)Nc2cccc(Cl)c2Cl)s1 Show InChI InChI=1S/C27H34Cl2N4O5S/c1-26(2,3)20-13-17(23(39-20)31-25(36)30-19-8-6-7-18(28)22(19)29)24(35)32-10-9-21(34)33(12-11-32)14-16-15-37-27(4,5)38-16/h6-8,13,16H,9-12,14-15H2,1-5H3,(H2,30,31,36) | PDB
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| n/a | n/a | 31 | n/a | n/a | n/a | n/a | n/a | n/a |
Ansaris
Curated by ChEMBL
| Assay Description
Inhibition of p38alpha assessed as [33P]gamma-ATP incorporation into GST-ATF2 substrate preincubated for 20 mins before substrate addition measured a... |
Bioorg Med Chem Lett 21: 7155-65 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.078
BindingDB Entry DOI: 10.7270/Q2NC61NH |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50359358
(CHEMBL1929237)Show SMILES CN1CCN(CCC1=O)C(=O)c1cc(sc1NC(=O)Nc1cccc(Cl)c1Cl)C(C)(C)C Show InChI InChI=1S/C22H26Cl2N4O3S/c1-22(2,3)16-12-13(20(30)28-9-8-17(29)27(4)10-11-28)19(32-16)26-21(31)25-15-7-5-6-14(23)18(15)24/h5-7,12H,8-11H2,1-4H3,(H2,25,26,31) | PDB
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| n/a | n/a | 39 | n/a | n/a | n/a | n/a | n/a | n/a |
Ansaris
Curated by ChEMBL
| Assay Description
Inhibition of p38alpha assessed as [33P]gamma-ATP incorporation into GST-ATF2 substrate preincubated for 20 mins before substrate addition measured a... |
Bioorg Med Chem Lett 21: 7155-65 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.078
BindingDB Entry DOI: 10.7270/Q2NC61NH |
More data for this
Ligand-Target Pair | |
Misshapen-like kinase 1
(Homo sapiens (Human)) | BDBM13533
(1-[2-(4-methylphenyl)-5-tert-butyl-pyrazol-3-yl]-3...)Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(OCCN2CCOCC2)c2ccccc12)C(C)(C)C Show InChI InChI=1S/C31H37N5O3/c1-22-9-11-23(12-10-22)36-29(21-28(34-36)31(2,3)4)33-30(37)32-26-13-14-27(25-8-6-5-7-24(25)26)39-20-17-35-15-18-38-19-16-35/h5-14,21H,15-20H2,1-4H3,(H2,32,33,37) | PDB
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| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
Ansaris
Curated by ChEMBL
| Assay Description
Inhibition of MINK |
Bioorg Med Chem Lett 21: 7155-65 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.078
BindingDB Entry DOI: 10.7270/Q2NC61NH |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50359345
(CHEMBL1929225)Show SMILES CC(C)(C)c1cc(C(=O)N2CCNC(=O)CC2)c(NC(=O)Nc2cccc(Cl)c2)s1 Show InChI InChI=1S/C21H25ClN4O3S/c1-21(2,3)16-12-15(19(28)26-9-7-17(27)23-8-10-26)18(30-16)25-20(29)24-14-6-4-5-13(22)11-14/h4-6,11-12H,7-10H2,1-3H3,(H,23,27)(H2,24,25,29) | PDB
MMDB
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Reactome pathway
KEGG
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| n/a | n/a | 42 | n/a | n/a | n/a | n/a | n/a | n/a |
Ansaris
Curated by ChEMBL
| Assay Description
Inhibition of p38alpha assessed as [33P]gamma-ATP incorporation into GST-ATF2 substrate preincubated for 20 mins before substrate addition measured a... |
Bioorg Med Chem Lett 21: 7155-65 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.078
BindingDB Entry DOI: 10.7270/Q2NC61NH |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50268115
(CHEMBL4080664)Show SMILES CCc1nc(N)cc(OC)c1-c1ccc2OC(C)(C)C(=O)N(CCNC(C)=O)c2c1 Show InChI InChI=1S/C22H28N4O4/c1-6-15-20(18(29-5)12-19(23)25-15)14-7-8-17-16(11-14)26(10-9-24-13(2)27)21(28)22(3,4)30-17/h7-8,11-12H,6,9-10H2,1-5H3,(H2,23,25)(H,24,27) | PDB
MMDB
Reactome pathway
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| PC cid
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| n/a | n/a | 45 | n/a | n/a | n/a | n/a | n/a | n/a |
BioLeap, Inc., 6350 Quadrangle Drive, Suite 110, Chapel Hill, NC 27517, United States. Electronic address: isclou@gmail.com.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human renin using 5-FAM/QXL 520 as substrate pretreated for 30 mins followed by substrate addition measured at 1 min interv... |
Bioorg Med Chem 25: 3947-3963 (2017)
Article DOI: 10.1016/j.bmc.2017.05.032
BindingDB Entry DOI: 10.7270/Q2X63QD8 |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM18011
((2S)-6-(2,4-diamino-6-ethylpyrimidin-5-yl)-2-(3,5-...)Show SMILES CCc1nc(N)nc(N)c1-c1ccc2O[C@](C)(C(=O)N(CCCC(F)(F)F)c2c1)c1cc(F)cc(F)c1 |r| Show InChI InChI=1S/C25H24F5N5O2/c1-3-17-20(21(31)34-23(32)33-17)13-5-6-19-18(9-13)35(8-4-7-25(28,29)30)22(36)24(2,37-19)14-10-15(26)12-16(27)11-14/h5-6,9-12H,3-4,7-8H2,1-2H3,(H4,31,32,33,34)/t24-/m0/s1 | PDB
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| n/a | n/a | 48 | n/a | n/a | n/a | n/a | n/a | n/a |
BioLeap, Inc., 6350 Quadrangle Drive, Suite 110, Chapel Hill, NC 27517, United States. Electronic address: isclou@gmail.com.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human renin |
Bioorg Med Chem 25: 3947-3963 (2017)
Article DOI: 10.1016/j.bmc.2017.05.032
BindingDB Entry DOI: 10.7270/Q2X63QD8 |
More data for this
Ligand-Target Pair |
3D Structure (docked) |
BDNF/NT-3 growth factors receptor
(Homo sapiens (Human)) | BDBM13533
(1-[2-(4-methylphenyl)-5-tert-butyl-pyrazol-3-yl]-3...)Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(OCCN2CCOCC2)c2ccccc12)C(C)(C)C Show InChI InChI=1S/C31H37N5O3/c1-22-9-11-23(12-10-22)36-29(21-28(34-36)31(2,3)4)33-30(37)32-26-13-14-27(25-8-6-5-7-24(25)26)39-20-17-35-15-18-38-19-16-35/h5-14,21H,15-20H2,1-4H3,(H2,32,33,37) | PDB
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| n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
Ansaris
Curated by ChEMBL
| Assay Description
Inhibition of TRKB |
Bioorg Med Chem Lett 21: 7155-65 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.078
BindingDB Entry DOI: 10.7270/Q2NC61NH |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 11
(Homo sapiens (Human)) | BDBM50359359
(CHEMBL1929238)Show SMILES CN(C)CCN1CCN(CCC1=O)C(=O)c1cc(sc1NC(=O)Nc1cccc(Cl)c1Cl)C(C)(C)C Show InChI InChI=1S/C25H33Cl2N5O3S/c1-25(2,3)19-15-16(22(36-19)29-24(35)28-18-8-6-7-17(26)21(18)27)23(34)32-10-9-20(33)31(13-14-32)12-11-30(4)5/h6-8,15H,9-14H2,1-5H3,(H2,28,29,35) | PDB
MMDB
Reactome pathway
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| n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
Ansaris
Curated by ChEMBL
| Assay Description
Inhibition of P38beta2 |
Bioorg Med Chem Lett 21: 7155-65 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.078
BindingDB Entry DOI: 10.7270/Q2NC61NH |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50268089
(CHEMBL4075401)Show SMILES CCc1nc(N)cc(C)c1-c1ccc(F)c2c(C)c(CCOC)[nH]c12 |(16.59,-20.94,;17.92,-21.71,;17.92,-23.25,;16.59,-24.02,;16.59,-25.56,;15.25,-26.33,;17.92,-26.33,;19.26,-25.56,;20.59,-26.33,;19.26,-24.02,;20.59,-23.25,;20.59,-21.71,;21.92,-20.94,;23.25,-21.71,;24.59,-20.94,;23.25,-23.25,;24.4,-24.28,;25.9,-23.96,;23.77,-25.69,;24.54,-27.02,;26.08,-27.02,;26.85,-28.35,;28.39,-28.35,;22.24,-25.53,;21.92,-24.02,)| Show InChI InChI=1S/C20H24FN3O/c1-5-15-18(11(2)10-17(22)23-15)13-6-7-14(21)19-12(3)16(8-9-25-4)24-20(13)19/h6-7,10,24H,5,8-9H2,1-4H3,(H2,22,23) | PDB
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| PC cid
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| n/a | n/a | 60 | n/a | n/a | n/a | n/a | n/a | n/a |
BioLeap, Inc., 6350 Quadrangle Drive, Suite 110, Chapel Hill, NC 27517, United States. Electronic address: isclou@gmail.com.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human renin using 5-FAM/QXL 520 as substrate pretreated for 30 mins followed by substrate addition measured at 1 min interv... |
Bioorg Med Chem 25: 3947-3963 (2017)
Article DOI: 10.1016/j.bmc.2017.05.032
BindingDB Entry DOI: 10.7270/Q2X63QD8 |
More data for this
Ligand-Target Pair | |
Discoidin domain-containing receptor 2
(Homo sapiens (Human)) | BDBM13533
(1-[2-(4-methylphenyl)-5-tert-butyl-pyrazol-3-yl]-3...)Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(OCCN2CCOCC2)c2ccccc12)C(C)(C)C Show InChI InChI=1S/C31H37N5O3/c1-22-9-11-23(12-10-22)36-29(21-28(34-36)31(2,3)4)33-30(37)32-26-13-14-27(25-8-6-5-7-24(25)26)39-20-17-35-15-18-38-19-16-35/h5-14,21H,15-20H2,1-4H3,(H2,32,33,37) | PDB
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| n/a | n/a | 60 | n/a | n/a | n/a | n/a | n/a | n/a |
Ansaris
Curated by ChEMBL
| Assay Description
Inhibition of DDR2 |
Bioorg Med Chem Lett 21: 7155-65 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.078
BindingDB Entry DOI: 10.7270/Q2NC61NH |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50268114
(CHEMBL4098706)Show SMILES CCc1nc(N)cc(C)c1-c1ccc2OC(C)(C)C(=O)N(CCNC(C)=O)c2c1 Show InChI InChI=1S/C22H28N4O3/c1-6-16-20(13(2)11-19(23)25-16)15-7-8-18-17(12-15)26(10-9-24-14(3)27)21(28)22(4,5)29-18/h7-8,11-12H,6,9-10H2,1-5H3,(H2,23,25)(H,24,27) | PDB
MMDB
Reactome pathway
KEGG
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| PC cid
PC sid
UniChem
Similars
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PubMed
| n/a | n/a | 69 | n/a | n/a | n/a | n/a | n/a | n/a |
BioLeap, Inc., 6350 Quadrangle Drive, Suite 110, Chapel Hill, NC 27517, United States. Electronic address: isclou@gmail.com.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human renin using 5-FAM/QXL 520 as substrate pretreated for 30 mins followed by substrate addition measured at 1 min interv... |
Bioorg Med Chem 25: 3947-3963 (2017)
Article DOI: 10.1016/j.bmc.2017.05.032
BindingDB Entry DOI: 10.7270/Q2X63QD8 |
More data for this
Ligand-Target Pair | |
Ephrin type-A receptor 4
(Homo sapiens (Human)) | BDBM13533
(1-[2-(4-methylphenyl)-5-tert-butyl-pyrazol-3-yl]-3...)Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(OCCN2CCOCC2)c2ccccc12)C(C)(C)C Show InChI InChI=1S/C31H37N5O3/c1-22-9-11-23(12-10-22)36-29(21-28(34-36)31(2,3)4)33-30(37)32-26-13-14-27(25-8-6-5-7-24(25)26)39-20-17-35-15-18-38-19-16-35/h5-14,21H,15-20H2,1-4H3,(H2,32,33,37) | PDB
MMDB
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| n/a | n/a | 70 | n/a | n/a | n/a | n/a | n/a | n/a |
Ansaris
Curated by ChEMBL
| Assay Description
Inhibition of EPHA4 |
Bioorg Med Chem Lett 21: 7155-65 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.078
BindingDB Entry DOI: 10.7270/Q2NC61NH |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50359360
(CHEMBL1929239)Show SMILES CN(C)CCN1CCN(CCC1=O)C(=O)c1cc(sc1NC(=O)Nc1ccc(F)c(Cl)c1Cl)C(C)(C)C Show InChI InChI=1S/C25H32Cl2FN5O3S/c1-25(2,3)18-14-15(23(35)33-9-8-19(34)32(12-13-33)11-10-31(4)5)22(37-18)30-24(36)29-17-7-6-16(28)20(26)21(17)27/h6-7,14H,8-13H2,1-5H3,(H2,29,30,36) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
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B.MOAD
DrugBank
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| CHEMBL
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PC sid
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PubMed
| n/a | n/a | 73 | n/a | n/a | n/a | n/a | n/a | n/a |
Ansaris
Curated by ChEMBL
| Assay Description
Inhibition of p38alpha assessed as [33P]gamma-ATP incorporation into GST-ATF2 substrate preincubated for 20 mins before substrate addition measured a... |
Bioorg Med Chem Lett 21: 7155-65 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.078
BindingDB Entry DOI: 10.7270/Q2NC61NH |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50359316
(CHEMBL1929195)Show SMILES CC(C)(C)c1cc(C(=O)N2CCS(=O)(=O)CC2)c(NC(=O)Nc2cccc3ccccc23)s1 Show InChI InChI=1S/C24H27N3O4S2/c1-24(2,3)20-15-18(22(28)27-11-13-33(30,31)14-12-27)21(32-20)26-23(29)25-19-10-6-8-16-7-4-5-9-17(16)19/h4-10,15H,11-14H2,1-3H3,(H2,25,26,29) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
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Ansaris
Curated by ChEMBL
| Assay Description
Inhibition of p38alpha assessed as [33P]gamma-ATP incorporation into GST-ATF2 substrate preincubated for 20 mins before substrate addition measured a... |
Bioorg Med Chem Lett 21: 7155-65 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.078
BindingDB Entry DOI: 10.7270/Q2NC61NH |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
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