Found 1746 hits with Last Name = 'schwarz' and Initial = 'j' 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 |
|---|
Mitogen-activated protein kinase 1
(Homo sapiens (Human)) | BDBM120107
(US8697715, 120 | US9259470, 120)Show SMILES OCC(c1cc(F)cc(Cl)c1)n1ccc(cc1=O)-c1ccnc(NC2CCOCC2)n1 Show InChI InChI=1S/C22H22ClFN4O3/c23-16-9-15(10-17(24)12-16)20(13-29)28-6-2-14(11-21(28)30)19-1-5-25-22(27-19)26-18-3-7-31-8-4-18/h1-2,5-6,9-12,18,20,29H,3-4,7-8,13H2,(H,25,26,27) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Array BioPharma Inc
Curated by ChEMBL
| Assay Description
Inhibition of 6-His tagged human ERK2 expressed in Escherichia coli measured over 30 mins by competition assay |
J Med Chem 58: 1976-91 (2015)
Article DOI: 10.1021/jm501921k
BindingDB Entry DOI: 10.7270/Q2TM7CT7 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 1
(Homo sapiens (Human)) | BDBM50072554
(CHEMBL3409600)Show SMILES OCC(c1ccc(Cl)c(F)c1)n1ccc(cc1=O)-c1nc(NC2CCOCC2)ncc1F Show InChI InChI=1S/C22H21ClF2N4O3/c23-16-2-1-13(9-17(16)24)19(12-30)29-6-3-14(10-20(29)31)21-18(25)11-26-22(28-21)27-15-4-7-32-8-5-15/h1-3,6,9-11,15,19,30H,4-5,7-8,12H2,(H,26,27,28) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Array BioPharma Inc
Curated by ChEMBL
| Assay Description
Inhibition of 6-His tagged human ERK2 expressed in Escherichia coli measured over 30 mins by competition assay |
J Med Chem 58: 1976-91 (2015)
Article DOI: 10.1021/jm501921k
BindingDB Entry DOI: 10.7270/Q2TM7CT7 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 1
(Homo sapiens (Human)) | BDBM50072602
(CHEMBL3409573)Show SMILES OCC(c1ccc(Cl)cc1)n1ccc(cc1=O)-c1ccnc(NC2CCOCC2)n1 Show InChI InChI=1S/C22H23ClN4O3/c23-17-3-1-15(2-4-17)20(14-28)27-10-6-16(13-21(27)29)19-5-9-24-22(26-19)25-18-7-11-30-12-8-18/h1-6,9-10,13,18,20,28H,7-8,11-12,14H2,(H,24,25,26) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Array BioPharma Inc
Curated by ChEMBL
| Assay Description
Inhibition of 6-His tagged human ERK2 expressed in Escherichia coli measured over 30 mins by competition assay |
J Med Chem 58: 1976-91 (2015)
Article DOI: 10.1021/jm501921k
BindingDB Entry DOI: 10.7270/Q2TM7CT7 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 1
(Homo sapiens (Human)) | BDBM50072606
(CHEMBL3409578)Show SMILES COc1cccc(c1)C(CO)n1ccc(cc1=O)-c1ccnc(NC2CCOCC2)n1 Show InChI InChI=1S/C23H26N4O4/c1-30-19-4-2-3-17(13-19)21(15-28)27-10-6-16(14-22(27)29)20-5-9-24-23(26-20)25-18-7-11-31-12-8-18/h2-6,9-10,13-14,18,21,28H,7-8,11-12,15H2,1H3,(H,24,25,26) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Array BioPharma Inc
Curated by ChEMBL
| Assay Description
Inhibition of 6-His tagged human ERK2 expressed in Escherichia coli measured over 30 mins by competition assay |
J Med Chem 58: 1976-91 (2015)
Article DOI: 10.1021/jm501921k
BindingDB Entry DOI: 10.7270/Q2TM7CT7 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 1
(Homo sapiens (Human)) | BDBM50072553
(CHEMBL3409599)Show SMILES OCC(c1ccc(Cl)c(F)c1)n1ccc(cc1=O)-c1nc(NC2CCOCC2)ncc1Cl Show InChI InChI=1S/C22H21Cl2FN4O3/c23-16-2-1-13(9-18(16)25)19(12-30)29-6-3-14(10-20(29)31)21-17(24)11-26-22(28-21)27-15-4-7-32-8-5-15/h1-3,6,9-11,15,19,30H,4-5,7-8,12H2,(H,26,27,28) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Array BioPharma Inc
Curated by ChEMBL
| Assay Description
Inhibition of 6-His tagged human ERK2 expressed in Escherichia coli measured over 30 mins by competition assay |
J Med Chem 58: 1976-91 (2015)
Article DOI: 10.1021/jm501921k
BindingDB Entry DOI: 10.7270/Q2TM7CT7 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 1
(Homo sapiens (Human)) | BDBM50072613
(CHEMBL3409587)Show SMILES OC[C@H](c1cccc(F)c1)n1ccc(cc1=O)-c1ccnc(NC2CCOCC2)n1 |r| Show InChI InChI=1S/C22H23FN4O3/c23-17-3-1-2-16(12-17)20(14-28)27-9-5-15(13-21(27)29)19-4-8-24-22(26-19)25-18-6-10-30-11-7-18/h1-5,8-9,12-13,18,20,28H,6-7,10-11,14H2,(H,24,25,26)/t20-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Array BioPharma Inc
Curated by ChEMBL
| Assay Description
Inhibition of 6-His tagged human ERK2 expressed in Escherichia coli measured over 30 mins by competition assay |
J Med Chem 58: 1976-91 (2015)
Article DOI: 10.1021/jm501921k
BindingDB Entry DOI: 10.7270/Q2TM7CT7 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 1
(Homo sapiens (Human)) | BDBM50072612
(CHEMBL3409584)Show SMILES OCC(c1cc(Cl)cc(Cl)c1)n1ccc(cc1=O)-c1ccnc(NC2CCOCC2)n1 Show InChI InChI=1S/C22H22Cl2N4O3/c23-16-9-15(10-17(24)12-16)20(13-29)28-6-2-14(11-21(28)30)19-1-5-25-22(27-19)26-18-3-7-31-8-4-18/h1-2,5-6,9-12,18,20,29H,3-4,7-8,13H2,(H,25,26,27) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Array BioPharma Inc
Curated by ChEMBL
| Assay Description
Inhibition of 6-His tagged human ERK2 expressed in Escherichia coli measured over 30 mins by competition assay |
J Med Chem 58: 1976-91 (2015)
Article DOI: 10.1021/jm501921k
BindingDB Entry DOI: 10.7270/Q2TM7CT7 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50547978
(CHEMBL4758147)Show SMILES Cc1nn(C)cc1-c1cc(C(=O)Nc2c(Cl)ccc(NS(=O)(=O)c3ccccc3Cl)c2F)c2ncnc(N)c2c1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.25 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of of human recombinant His6-tagged B-Raf V600E mutant expressed in baculovirus infected cells co-expresing CDC37 in presence of [gamma33P... |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.0c00344
BindingDB Entry DOI: 10.7270/Q24Q7ZMD |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 1
(Homo sapiens (Human)) | BDBM120098
(US8697715, 57 | US9259470, 57)Show SMILES OC[C@H](c1cccc(Cl)c1)n1ccc(cc1=O)-c1ccnc(NC2CCOCC2)n1 |r| Show InChI InChI=1S/C22H23ClN4O3/c23-17-3-1-2-16(12-17)20(14-28)27-9-5-15(13-21(27)29)19-4-8-24-22(26-19)25-18-6-10-30-11-7-18/h1-5,8-9,12-13,18,20,28H,6-7,10-11,14H2,(H,24,25,26)/t20-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Array BioPharma Inc
Curated by ChEMBL
| Assay Description
Inhibition of 6-His tagged human ERK2 expressed in Escherichia coli measured over 30 mins by competition assay |
J Med Chem 58: 1976-91 (2015)
Article DOI: 10.1021/jm501921k
BindingDB Entry DOI: 10.7270/Q2TM7CT7 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 1
(Homo sapiens (Human)) | BDBM50072599
(CHEMBL3409589)Show SMILES OC[C@H](c1ccc(F)c(Cl)c1)n1ccc(cc1=O)-c1ccnc(NC2CCOCC2)n1 |r| Show InChI InChI=1S/C22H22ClFN4O3/c23-17-11-15(1-2-18(17)24)20(13-29)28-8-4-14(12-21(28)30)19-3-7-25-22(27-19)26-16-5-9-31-10-6-16/h1-4,7-8,11-12,16,20,29H,5-6,9-10,13H2,(H,25,26,27)/t20-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Array BioPharma Inc
Curated by ChEMBL
| Assay Description
Inhibition of 6-His tagged human ERK2 expressed in Escherichia coli measured over 30 mins by competition assay |
J Med Chem 58: 1976-91 (2015)
Article DOI: 10.1021/jm501921k
BindingDB Entry DOI: 10.7270/Q2TM7CT7 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 1
(Homo sapiens (Human)) | BDBM50072610
(CHEMBL3409582)Show SMILES OCC(c1ccc(F)c(Cl)c1)n1ccc(cc1=O)-c1ccnc(NC2CCOCC2)n1 Show InChI InChI=1S/C22H22ClFN4O3/c23-17-11-15(1-2-18(17)24)20(13-29)28-8-4-14(12-21(28)30)19-3-7-25-22(27-19)26-16-5-9-31-10-6-16/h1-4,7-8,11-12,16,20,29H,5-6,9-10,13H2,(H,25,26,27) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Array BioPharma Inc
Curated by ChEMBL
| Assay Description
Inhibition of 6-His tagged human ERK2 expressed in Escherichia coli measured over 30 mins by competition assay |
J Med Chem 58: 1976-91 (2015)
Article DOI: 10.1021/jm501921k
BindingDB Entry DOI: 10.7270/Q2TM7CT7 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 1
(Homo sapiens (Human)) | BDBM50072557
(CHEMBL3409408)Show SMILES Clc1ccc(Cn2ccc(cc2=O)-c2ccnc(NC3CCOCC3)n2)cc1 Show InChI InChI=1S/C21H21ClN4O2/c22-17-3-1-15(2-4-17)14-26-10-6-16(13-20(26)27)19-5-9-23-21(25-19)24-18-7-11-28-12-8-18/h1-6,9-10,13,18H,7-8,11-12,14H2,(H,23,24,25) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Array BioPharma Inc
Curated by ChEMBL
| Assay Description
Inhibition of 6-His tagged human ERK2 expressed in Escherichia coli measured over 30 mins by competition assay |
J Med Chem 58: 1976-91 (2015)
Article DOI: 10.1021/jm501921k
BindingDB Entry DOI: 10.7270/Q2TM7CT7 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 1
(Homo sapiens (Human)) | BDBM50072609
(CHEMBL3409581)Show SMILES OCC(c1ccc(Cl)c(F)c1)n1ccc(cc1=O)-c1ccnc(NC2CCOCC2)n1 Show InChI InChI=1S/C22H22ClFN4O3/c23-17-2-1-15(11-18(17)24)20(13-29)28-8-4-14(12-21(28)30)19-3-7-25-22(27-19)26-16-5-9-31-10-6-16/h1-4,7-8,11-12,16,20,29H,5-6,9-10,13H2,(H,25,26,27) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| 0.400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Array BioPharma Inc
Curated by ChEMBL
| Assay Description
Inhibition of 6-His tagged human ERK2 expressed in Escherichia coli measured over 30 mins by competition assay |
J Med Chem 58: 1976-91 (2015)
Article DOI: 10.1021/jm501921k
BindingDB Entry DOI: 10.7270/Q2TM7CT7 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Mitogen-activated protein kinase 1
(Homo sapiens (Human)) | BDBM50021717
(CHEMBL3298414)Show SMILES OC[C@@H](NC(=O)N1CCc2cnc(NC3CCOCC3)nc2C1)c1ccc(F)c(Cl)c1 |r| Show InChI InChI=1S/C21H25ClFN5O3/c22-16-9-13(1-2-17(16)23)19(12-29)27-21(30)28-6-3-14-10-24-20(26-18(14)11-28)25-15-4-7-31-8-5-15/h1-2,9-10,15,19,29H,3-8,11-12H2,(H,27,30)(H,24,25,26)/t19-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
Article
PubMed
| 0.400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Array BioPharma Inc
Curated by ChEMBL
| Assay Description
Inhibition of 6-His tagged human ERK2 expressed in Escherichia coli measured over 30 mins by competition assay |
J Med Chem 58: 1976-91 (2015)
Article DOI: 10.1021/jm501921k
BindingDB Entry DOI: 10.7270/Q2TM7CT7 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Mitogen-activated protein kinase 1
(Homo sapiens (Human)) | BDBM50072460
(CHEMBL3409603)Show SMILES OC[C@H](c1ccc(Cl)c(F)c1)n1ccc(cc1=O)-c1ccnc(NC2COC2)n1 |r| Show InChI InChI=1S/C20H18ClFN4O3/c21-15-2-1-13(7-16(15)22)18(9-27)26-6-4-12(8-19(26)28)17-3-5-23-20(25-17)24-14-10-29-11-14/h1-8,14,18,27H,9-11H2,(H,23,24,25)/t18-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Array BioPharma Inc
Curated by ChEMBL
| Assay Description
Inhibition of 6-His tagged human ERK2 expressed in Escherichia coli measured over 30 mins by competition assay |
J Med Chem 58: 1976-91 (2015)
Article DOI: 10.1021/jm501921k
BindingDB Entry DOI: 10.7270/Q2TM7CT7 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 1
(Homo sapiens (Human)) | BDBM50072601
(CHEMBL3409572)Show SMILES OCC(c1ccccc1Cl)n1ccc(cc1=O)-c1ccnc(NC2CCOCC2)n1 Show InChI InChI=1S/C22H23ClN4O3/c23-18-4-2-1-3-17(18)20(14-28)27-10-6-15(13-21(27)29)19-5-9-24-22(26-19)25-16-7-11-30-12-8-16/h1-6,9-10,13,16,20,28H,7-8,11-12,14H2,(H,24,25,26) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Array BioPharma Inc
Curated by ChEMBL
| Assay Description
Inhibition of 6-His tagged human ERK2 expressed in Escherichia coli measured over 30 mins by competition assay |
J Med Chem 58: 1976-91 (2015)
Article DOI: 10.1021/jm501921k
BindingDB Entry DOI: 10.7270/Q2TM7CT7 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 1
(Homo sapiens (Human)) | BDBM50072556
(CHEMBL3409407)Show SMILES Clc1cccc(Cn2ccc(cc2=O)-c2ccnc(NC3CCOCC3)n2)c1 Show InChI InChI=1S/C21H21ClN4O2/c22-17-3-1-2-15(12-17)14-26-9-5-16(13-20(26)27)19-4-8-23-21(25-19)24-18-6-10-28-11-7-18/h1-5,8-9,12-13,18H,6-7,10-11,14H2,(H,23,24,25) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Array BioPharma Inc
Curated by ChEMBL
| Assay Description
Inhibition of 6-His tagged human ERK2 expressed in Escherichia coli measured over 30 mins by competition assay |
J Med Chem 58: 1976-91 (2015)
Article DOI: 10.1021/jm501921k
BindingDB Entry DOI: 10.7270/Q2TM7CT7 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 1
(Homo sapiens (Human)) | BDBM50072611
(CHEMBL3409583)Show SMILES OCC(c1cc(F)cc(F)c1)n1ccc(cc1=O)-c1ccnc(NC2CCOCC2)n1 Show InChI InChI=1S/C22H22F2N4O3/c23-16-9-15(10-17(24)12-16)20(13-29)28-6-2-14(11-21(28)30)19-1-5-25-22(27-19)26-18-3-7-31-8-4-18/h1-2,5-6,9-12,18,20,29H,3-4,7-8,13H2,(H,25,26,27) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Array BioPharma Inc
Curated by ChEMBL
| Assay Description
Inhibition of 6-His tagged human ERK2 expressed in Escherichia coli measured over 30 mins by competition assay |
J Med Chem 58: 1976-91 (2015)
Article DOI: 10.1021/jm501921k
BindingDB Entry DOI: 10.7270/Q2TM7CT7 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 1
(Homo sapiens (Human)) | BDBM50072608
(CHEMBL3409580)Show SMILES OCC(c1ccc(F)c(F)c1)n1ccc(cc1=O)-c1ccnc(NC2CCOCC2)n1 Show InChI InChI=1S/C22H22F2N4O3/c23-17-2-1-15(11-18(17)24)20(13-29)28-8-4-14(12-21(28)30)19-3-7-25-22(27-19)26-16-5-9-31-10-6-16/h1-4,7-8,11-12,16,20,29H,5-6,9-10,13H2,(H,25,26,27) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Array BioPharma Inc
Curated by ChEMBL
| Assay Description
Inhibition of 6-His tagged human ERK2 expressed in Escherichia coli measured over 30 mins by competition assay |
J Med Chem 58: 1976-91 (2015)
Article DOI: 10.1021/jm501921k
BindingDB Entry DOI: 10.7270/Q2TM7CT7 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 1
(Homo sapiens (Human)) | BDBM50072607
(CHEMBL3409579)Show SMILES OCC(c1cccc(c1)C#N)n1ccc(cc1=O)-c1ccnc(NC2CCOCC2)n1 Show InChI InChI=1S/C23H23N5O3/c24-14-16-2-1-3-18(12-16)21(15-29)28-9-5-17(13-22(28)30)20-4-8-25-23(27-20)26-19-6-10-31-11-7-19/h1-5,8-9,12-13,19,21,29H,6-7,10-11,15H2,(H,25,26,27) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Array BioPharma Inc
Curated by ChEMBL
| Assay Description
Inhibition of 6-His tagged human ERK2 expressed in Escherichia coli measured over 30 mins by competition assay |
J Med Chem 58: 1976-91 (2015)
Article DOI: 10.1021/jm501921k
BindingDB Entry DOI: 10.7270/Q2TM7CT7 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 1
(Homo sapiens (Human)) | BDBM50072550
(CHEMBL3409595)Show SMILES OCC(c1ccc(Cl)c(F)c1)n1ncc(cc1=O)-c1ccnc(NC2CCOCC2)n1 Show InChI InChI=1S/C21H21ClFN5O3/c22-16-2-1-13(9-17(16)23)19(12-29)28-20(30)10-14(11-25-28)18-3-6-24-21(27-18)26-15-4-7-31-8-5-15/h1-3,6,9-11,15,19,29H,4-5,7-8,12H2,(H,24,26,27) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Array BioPharma Inc
Curated by ChEMBL
| Assay Description
Inhibition of 6-His tagged human ERK2 expressed in Escherichia coli measured over 30 mins by competition assay |
J Med Chem 58: 1976-91 (2015)
Article DOI: 10.1021/jm501921k
BindingDB Entry DOI: 10.7270/Q2TM7CT7 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 1
(Homo sapiens (Human)) | BDBM120086
(US8697715, 1 | US9259470, 1)Show SMILES OC[C@H](c1ccc(Cl)c(F)c1)n1ccc(cc1=O)-c1ccnc(NC2CCOCC2)n1 |r| Show InChI InChI=1S/C22H22ClFN4O3/c23-17-2-1-15(11-18(17)24)20(13-29)28-8-4-14(12-21(28)30)19-3-7-25-22(27-19)26-16-5-9-31-10-6-16/h1-4,7-8,11-12,16,20,29H,5-6,9-10,13H2,(H,25,26,27)/t20-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| 0.600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Array BioPharma Inc
Curated by ChEMBL
| Assay Description
Inhibition of 6-His tagged human ERK2 expressed in Escherichia coli measured over 30 mins by competition assay |
J Med Chem 58: 1976-91 (2015)
Article DOI: 10.1021/jm501921k
BindingDB Entry DOI: 10.7270/Q2TM7CT7 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM28586
(1-{3-[(3-chlorophenyl)methoxy]-2-methylphenyl}pipe...)Show InChI InChI=1S/C18H21ClN2O/c1-14-17(21-10-8-20-9-11-21)6-3-7-18(14)22-13-15-4-2-5-16(19)12-15/h2-7,12,20H,8-11,13H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.600 | -52.1 | n/a | n/a | n/a | n/a | n/a | 7.5 | 22 |
Pfizer
| Assay Description
Competition experiments were performed in the presence radioligand with membrane protein (obtained from cells expressing the receptor) and test compo... |
Bioorg Med Chem Lett 19: 2409-12 (2009)
Article DOI: 10.1016/j.bmcl.2009.03.077
BindingDB Entry DOI: 10.7270/Q24T6GP5 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 1
(Homo sapiens (Human)) | BDBM50021718
(CHEMBL3298678)Show SMILES OC[C@@H](NC(=O)N1CCc2cnc(NC3CCOCC3)nc2C1)c1ccc(Cl)c(F)c1 |r| Show InChI InChI=1S/C21H25ClFN5O3/c22-16-2-1-13(9-17(16)23)19(12-29)27-21(30)28-6-3-14-10-24-20(26-18(14)11-28)25-15-4-7-31-8-5-15/h1-2,9-10,15,19,29H,3-8,11-12H2,(H,27,30)(H,24,25,26)/t19-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Array BioPharma Inc
Curated by ChEMBL
| Assay Description
Inhibition of 6-His tagged human ERK2 expressed in Escherichia coli measured over 30 mins by competition assay |
J Med Chem 58: 1976-91 (2015)
Article DOI: 10.1021/jm501921k
BindingDB Entry DOI: 10.7270/Q2TM7CT7 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM28583
(5-chloro-N-[4-methoxy-3-(piperazin-1-yl)phenyl]-3-...)Show SMILES COc1ccc(NS(=O)(=O)c2sc3ccc(Cl)cc3c2C)cc1N1CCNCC1 Show InChI InChI=1S/C20H22ClN3O3S2/c1-13-16-11-14(21)3-6-19(16)28-20(13)29(25,26)23-15-4-5-18(27-2)17(12-15)24-9-7-22-8-10-24/h3-6,11-12,22-23H,7-10H2,1-2H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.660 | -51.9 | n/a | n/a | n/a | n/a | n/a | 7.5 | 22 |
Pfizer
| Assay Description
Competition experiments were performed in the presence radioligand with membrane protein (obtained from cells expressing the receptor) and test compo... |
Bioorg Med Chem Lett 19: 2409-12 (2009)
Article DOI: 10.1016/j.bmcl.2009.03.077
BindingDB Entry DOI: 10.7270/Q24T6GP5 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 1
(Homo sapiens (Human)) | BDBM50072559
(CHEMBL3409569)Show SMILES Fc1cc(Cn2ccc(cc2=O)-c2ccnc(NC3CCOCC3)n2)ccc1Cl Show InChI InChI=1S/C21H20ClFN4O2/c22-17-2-1-14(11-18(17)23)13-27-8-4-15(12-20(27)28)19-3-7-24-21(26-19)25-16-5-9-29-10-6-16/h1-4,7-8,11-12,16H,5-6,9-10,13H2,(H,24,25,26) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.700 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Array BioPharma Inc
Curated by ChEMBL
| Assay Description
Inhibition of 6-His tagged human ERK2 expressed in Escherichia coli measured over 30 mins by competition assay |
J Med Chem 58: 1976-91 (2015)
Article DOI: 10.1021/jm501921k
BindingDB Entry DOI: 10.7270/Q2TM7CT7 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 1
(Homo sapiens (Human)) | BDBM50072555
(CHEMBL3409406)Show InChI InChI=1S/C21H22N4O2/c26-20-14-17(7-11-25(20)15-16-4-2-1-3-5-16)19-6-10-22-21(24-19)23-18-8-12-27-13-9-18/h1-7,10-11,14,18H,8-9,12-13,15H2,(H,22,23,24) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Array BioPharma Inc
Curated by ChEMBL
| Assay Description
Inhibition of 6-His tagged human ERK2 expressed in Escherichia coli measured over 30 mins by competition assay |
J Med Chem 58: 1976-91 (2015)
Article DOI: 10.1021/jm501921k
BindingDB Entry DOI: 10.7270/Q2TM7CT7 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 1
(Homo sapiens (Human)) | BDBM50072560
(CHEMBL3409570)Show SMILES Fc1cc(CCn2ccc(cc2=O)-c2ccnc(NC3CCOCC3)n2)ccc1Cl Show InChI InChI=1S/C22H22ClFN4O2/c23-18-2-1-15(13-19(18)24)4-9-28-10-5-16(14-21(28)29)20-3-8-25-22(27-20)26-17-6-11-30-12-7-17/h1-3,5,8,10,13-14,17H,4,6-7,9,11-12H2,(H,25,26,27) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Array BioPharma Inc
Curated by ChEMBL
| Assay Description
Inhibition of 6-His tagged human ERK2 expressed in Escherichia coli measured over 30 mins by competition assay |
J Med Chem 58: 1976-91 (2015)
Article DOI: 10.1021/jm501921k
BindingDB Entry DOI: 10.7270/Q2TM7CT7 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 1
(Homo sapiens (Human)) | BDBM50072461
(CHEMBL3409604)Show SMILES OC[C@H](c1ccc(Cl)c(F)c1)n1ccc(cc1=O)-c1ccnc(NC2CC(F)(F)C2)n1 |r| Show InChI InChI=1S/C21H18ClF3N4O2/c22-15-2-1-13(7-16(15)23)18(11-30)29-6-4-12(8-19(29)31)17-3-5-26-20(28-17)27-14-9-21(24,25)10-14/h1-8,14,18,30H,9-11H2,(H,26,27,28)/t18-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Array BioPharma Inc
Curated by ChEMBL
| Assay Description
Inhibition of 6-His tagged human ERK2 expressed in Escherichia coli measured over 30 mins by competition assay |
J Med Chem 58: 1976-91 (2015)
Article DOI: 10.1021/jm501921k
BindingDB Entry DOI: 10.7270/Q2TM7CT7 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM28584
(1-[3-(benzyloxy)-2-methylphenyl]piperazine | tolyl...)Show InChI InChI=1S/C18H22N2O/c1-15-17(20-12-10-19-11-13-20)8-5-9-18(15)21-14-16-6-3-2-4-7-16/h2-9,19H,10-14H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.30 | -50.2 | n/a | n/a | n/a | n/a | n/a | 7.5 | 22 |
Pfizer
| Assay Description
Competition experiments were performed in the presence radioligand with membrane protein (obtained from cells expressing the receptor) and test compo... |
Bioorg Med Chem Lett 19: 2409-12 (2009)
Article DOI: 10.1016/j.bmcl.2009.03.077
BindingDB Entry DOI: 10.7270/Q24T6GP5 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 1
(Homo sapiens (Human)) | BDBM50072604
(CHEMBL3409575)Show SMILES OCC(c1cccc(F)c1)n1ccc(cc1=O)-c1ccnc(NC2CCOCC2)n1 Show InChI InChI=1S/C22H23FN4O3/c23-17-3-1-2-16(12-17)20(14-28)27-9-5-15(13-21(27)29)19-4-8-24-22(26-19)25-18-6-10-30-11-7-18/h1-5,8-9,12-13,18,20,28H,6-7,10-11,14H2,(H,24,25,26) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Array BioPharma Inc
Curated by ChEMBL
| Assay Description
Inhibition of 6-His tagged human ERK2 expressed in Escherichia coli measured over 30 mins by competition assay |
J Med Chem 58: 1976-91 (2015)
Article DOI: 10.1021/jm501921k
BindingDB Entry DOI: 10.7270/Q2TM7CT7 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 1
(Homo sapiens (Human)) | BDBM50072603
(CHEMBL3409574)Show SMILES OCC(c1cccc(Cl)c1)n1ccc(cc1=O)-c1ccnc(NC2CCOCC2)n1 Show InChI InChI=1S/C22H23ClN4O3/c23-17-3-1-2-16(12-17)20(14-28)27-9-5-15(13-21(27)29)19-4-8-24-22(26-19)25-18-6-10-30-11-7-18/h1-5,8-9,12-13,18,20,28H,6-7,10-11,14H2,(H,24,25,26) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Array BioPharma Inc
Curated by ChEMBL
| Assay Description
Inhibition of 6-His tagged human ERK2 expressed in Escherichia coli measured over 30 mins by competition assay |
J Med Chem 58: 1976-91 (2015)
Article DOI: 10.1021/jm501921k
BindingDB Entry DOI: 10.7270/Q2TM7CT7 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50547986
(CHEMBL4786638)Show SMILES N[C@H]1CC[C@@H](CC1)Nc1ncnc2c(csc12)C(=O)Nc1c(Cl)ccc(NS(=O)(=O)c2cc(F)ccc2F)c1F |r,wU:1.0,wD:4.7,(28.77,-6.56,;30.27,-6.89,;31.31,-5.75,;32.81,-6.07,;33.28,-7.54,;32.26,-8.68,;30.75,-8.35,;34.79,-7.86,;35.82,-6.71,;35.34,-5.26,;36.37,-4.11,;37.87,-4.43,;38.34,-5.89,;39.74,-6.51,;39.58,-8.04,;38.08,-8.36,;37.31,-7.03,;41.07,-5.74,;41.07,-4.2,;42.41,-6.51,;43.74,-5.74,;43.74,-4.2,;42.41,-3.43,;45.07,-3.43,;46.4,-4.19,;46.41,-5.74,;47.74,-6.51,;49.07,-5.73,;48.29,-4.39,;49.84,-4.39,;50.41,-6.5,;50.4,-8.05,;51.74,-8.82,;51.74,-10.36,;53.08,-8.05,;53.08,-6.49,;51.74,-5.73,;51.73,-4.19,;45.07,-6.51,;45.07,-8.05,)| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
| Article
PubMed
| 1.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of of human recombinant His6-tagged B-Raf V600E mutant expressed in baculovirus infected cells co-expresing CDC37 in presence of [gamma33P... |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.0c00344
BindingDB Entry DOI: 10.7270/Q24Q7ZMD |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 1
(Homo sapiens (Human)) | BDBM50072600
(CHEMBL3409571)Show SMILES OCC(c1ccccc1)n1ccc(cc1=O)-c1ccnc(NC2CCOCC2)n1 Show InChI InChI=1S/C22H24N4O3/c27-15-20(16-4-2-1-3-5-16)26-11-7-17(14-21(26)28)19-6-10-23-22(25-19)24-18-8-12-29-13-9-18/h1-7,10-11,14,18,20,27H,8-9,12-13,15H2,(H,23,24,25) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Array BioPharma Inc
Curated by ChEMBL
| Assay Description
Inhibition of 6-His tagged human ERK2 expressed in Escherichia coli measured over 30 mins by competition assay |
J Med Chem 58: 1976-91 (2015)
Article DOI: 10.1021/jm501921k
BindingDB Entry DOI: 10.7270/Q2TM7CT7 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 1
(Homo sapiens (Human)) | BDBM50072558
(CHEMBL3409568)Show SMILES Fc1ccc(Cn2ccc(cc2=O)-c2ccnc(NC3CCOCC3)n2)cc1Cl Show InChI InChI=1S/C21H20ClFN4O2/c22-17-11-14(1-2-18(17)23)13-27-8-4-15(12-20(27)28)19-3-7-24-21(26-19)25-16-5-9-29-10-6-16/h1-4,7-8,11-12,16H,5-6,9-10,13H2,(H,24,25,26) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Array BioPharma Inc
Curated by ChEMBL
| Assay Description
Inhibition of 6-His tagged human ERK2 expressed in Escherichia coli measured over 30 mins by competition assay |
J Med Chem 58: 1976-91 (2015)
Article DOI: 10.1021/jm501921k
BindingDB Entry DOI: 10.7270/Q2TM7CT7 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM28635
(2-methyl-3-(piperidin-4-yl)phenyl naphthalene-1-su...)Show SMILES Cc1c(OS(=O)(=O)c2cccc3ccccc23)cccc1C1CCNCC1 Show InChI InChI=1S/C22H23NO3S/c1-16-19(18-12-14-23-15-13-18)9-5-10-21(16)26-27(24,25)22-11-4-7-17-6-2-3-8-20(17)22/h2-11,18,23H,12-15H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.5 | -50.4 | n/a | n/a | n/a | n/a | n/a | n/a | 25 |
Pfizer
| Assay Description
Competition experiments were performed in the presence radioligand with membrane protein (obtained from cells expressing the receptor) and test compo... |
Bioorg Med Chem Lett 19: 2409-12 (2009)
Article DOI: 10.1016/j.bmcl.2009.03.077
BindingDB Entry DOI: 10.7270/Q24T6GP5 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 1
(Homo sapiens (Human)) | BDBM50072459
(CHEMBL3409602)Show SMILES OC[C@H](c1ccc(Cl)c(F)c1)n1ccc(cc1=O)-c1ccnc(N[C@H]2CCOC2)n1 |r| Show InChI InChI=1S/C21H20ClFN4O3/c22-16-2-1-14(9-17(16)23)19(11-28)27-7-4-13(10-20(27)29)18-3-6-24-21(26-18)25-15-5-8-30-12-15/h1-4,6-7,9-10,15,19,28H,5,8,11-12H2,(H,24,25,26)/t15-,19+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Array BioPharma Inc
Curated by ChEMBL
| Assay Description
Inhibition of 6-His tagged human ERK2 expressed in Escherichia coli measured over 30 mins by competition assay |
J Med Chem 58: 1976-91 (2015)
Article DOI: 10.1021/jm501921k
BindingDB Entry DOI: 10.7270/Q2TM7CT7 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 1
(Homo sapiens (Human)) | BDBM120103
(US8697715, 87 | US9259470, 87)Show SMILES Cc1cccc(c1)C(CO)n1ccc(cc1=O)-c1ccnc(NC2CCOCC2)n1 Show InChI InChI=1S/C23H26N4O3/c1-16-3-2-4-18(13-16)21(15-28)27-10-6-17(14-22(27)29)20-5-9-24-23(26-20)25-19-7-11-30-12-8-19/h2-6,9-10,13-14,19,21,28H,7-8,11-12,15H2,1H3,(H,24,25,26) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Array BioPharma Inc
Curated by ChEMBL
| Assay Description
Inhibition of 6-His tagged human ERK2 expressed in Escherichia coli measured over 30 mins by competition assay |
J Med Chem 58: 1976-91 (2015)
Article DOI: 10.1021/jm501921k
BindingDB Entry DOI: 10.7270/Q2TM7CT7 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 1
(Homo sapiens (Human)) | BDBM120092
(US8697715, 14 | US9259470, 14)Show SMILES OCC(c1ccc(Cl)c(F)c1)n1ccc(nc1=O)-c1ccnc(NC2CCOCC2)n1 Show InChI InChI=1S/C21H21ClFN5O3/c22-15-2-1-13(11-16(15)23)19(12-29)28-8-4-18(27-21(28)30)17-3-7-24-20(26-17)25-14-5-9-31-10-6-14/h1-4,7-8,11,14,19,29H,5-6,9-10,12H2,(H,24,25,26) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 1.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Array BioPharma Inc
Curated by ChEMBL
| Assay Description
Inhibition of 6-His tagged human ERK2 expressed in Escherichia coli measured over 30 mins by competition assay |
J Med Chem 58: 1976-91 (2015)
Article DOI: 10.1021/jm501921k
BindingDB Entry DOI: 10.7270/Q2TM7CT7 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 1
(Homo sapiens (Human)) | BDBM50072614
(CHEMBL3409601)Show SMILES OC[C@H](c1ccc(Cl)c(F)c1)n1ccc(cc1=O)-c1ccnc(N[C@@H]2CCOC2)n1 |r| Show InChI InChI=1S/C21H20ClFN4O3/c22-16-2-1-14(9-17(16)23)19(11-28)27-7-4-13(10-20(27)29)18-3-6-24-21(26-18)25-15-5-8-30-12-15/h1-4,6-7,9-10,15,19,28H,5,8,11-12H2,(H,24,25,26)/t15-,19-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Array BioPharma Inc
Curated by ChEMBL
| Assay Description
Inhibition of 6-His tagged human ERK2 expressed in Escherichia coli measured over 30 mins by competition assay |
J Med Chem 58: 1976-91 (2015)
Article DOI: 10.1021/jm501921k
BindingDB Entry DOI: 10.7270/Q2TM7CT7 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 1
(Homo sapiens (Human)) | BDBM50072551
(CHEMBL3409596)Show SMILES OCC(c1ccc(Cl)c(F)c1)n1ccc(cc1=O)-c1ccnc(NC2CCOCC2)c1 Show InChI InChI=1S/C23H23ClFN3O3/c24-19-2-1-17(11-20(19)25)21(14-29)28-8-4-16(13-23(28)30)15-3-7-26-22(12-15)27-18-5-9-31-10-6-18/h1-4,7-8,11-13,18,21,29H,5-6,9-10,14H2,(H,26,27) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Array BioPharma Inc
Curated by ChEMBL
| Assay Description
Inhibition of 6-His tagged human ERK2 expressed in Escherichia coli measured over 30 mins by competition assay |
J Med Chem 58: 1976-91 (2015)
Article DOI: 10.1021/jm501921k
BindingDB Entry DOI: 10.7270/Q2TM7CT7 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 1
(Homo sapiens (Human)) | BDBM120091
(US8697715, 12 | US9259470, 12)Show SMILES Cc1cnc(NC2CCOCC2)nc1-c1ccn(C(CO)c2ccc(Cl)c(F)c2)c(=O)c1 Show InChI InChI=1S/C23H24ClFN4O3/c1-14-12-26-23(27-17-5-8-32-9-6-17)28-22(14)16-4-7-29(21(31)11-16)20(13-30)15-2-3-18(24)19(25)10-15/h2-4,7,10-12,17,20,30H,5-6,8-9,13H2,1H3,(H,26,27,28) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Array BioPharma Inc
Curated by ChEMBL
| Assay Description
Inhibition of 6-His tagged human ERK2 expressed in Escherichia coli measured over 30 mins by competition assay |
J Med Chem 58: 1976-91 (2015)
Article DOI: 10.1021/jm501921k
BindingDB Entry DOI: 10.7270/Q2TM7CT7 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 1
(Homo sapiens (Human)) | BDBM50072605
(CHEMBL3409577)Show SMILES OCC(c1cccc(c1)C(F)(F)F)n1ccc(cc1=O)-c1ccnc(NC2CCOCC2)n1 Show InChI InChI=1S/C23H23F3N4O3/c24-23(25,26)17-3-1-2-16(12-17)20(14-31)30-9-5-15(13-21(30)32)19-4-8-27-22(29-19)28-18-6-10-33-11-7-18/h1-5,8-9,12-13,18,20,31H,6-7,10-11,14H2,(H,27,28,29) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Array BioPharma Inc
Curated by ChEMBL
| Assay Description
Inhibition of 6-His tagged human ERK2 expressed in Escherichia coli measured over 30 mins by competition assay |
J Med Chem 58: 1976-91 (2015)
Article DOI: 10.1021/jm501921k
BindingDB Entry DOI: 10.7270/Q2TM7CT7 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50547968
(CHEMBL4780489)Show SMILES Nc1ncnc2c(cccc12)C(=O)Nc1c(Cl)ccc(NS(=O)(=O)N2CCCC2)c1F | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
| Article
PubMed
| 2.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of of human recombinant His6-tagged B-Raf V600E mutant expressed in baculovirus infected cells co-expresing CDC37 in presence of [gamma33P... |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.0c00344
BindingDB Entry DOI: 10.7270/Q24Q7ZMD |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM28620
(2-[1-(3-chlorophenyl)-2,2,2-trifluoroethoxy]-3-met...)Show SMILES Cc1c(OC(c2cccc(Cl)c2)C(F)(F)F)nccc1C1CCNCC1 Show InChI InChI=1S/C19H20ClF3N2O/c1-12-16(13-5-8-24-9-6-13)7-10-25-18(12)26-17(19(21,22)23)14-3-2-4-15(20)11-14/h2-4,7,10-11,13,17,24H,5-6,8-9H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.40 | -49.2 | n/a | n/a | n/a | n/a | n/a | n/a | 25 |
Pfizer
| Assay Description
Competition experiments were performed in the presence radioligand with membrane protein (obtained from cells expressing the receptor) and test compo... |
Bioorg Med Chem Lett 19: 2409-12 (2009)
Article DOI: 10.1016/j.bmcl.2009.03.077
BindingDB Entry DOI: 10.7270/Q24T6GP5 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 1
(Homo sapiens (Human)) | BDBM50072549
(CHEMBL3409593)Show SMILES Cc1cc(cc(=O)n1C(CO)c1ccc(Cl)c(F)c1)-c1ccnc(NC2CCOCC2)n1 Show InChI InChI=1S/C23H24ClFN4O3/c1-14-10-16(20-4-7-26-23(28-20)27-17-5-8-32-9-6-17)12-22(31)29(14)21(13-30)15-2-3-18(24)19(25)11-15/h2-4,7,10-12,17,21,30H,5-6,8-9,13H2,1H3,(H,26,27,28) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Array BioPharma Inc
Curated by ChEMBL
| Assay Description
Inhibition of 6-His tagged human ERK2 expressed in Escherichia coli measured over 30 mins by competition assay |
J Med Chem 58: 1976-91 (2015)
Article DOI: 10.1021/jm501921k
BindingDB Entry DOI: 10.7270/Q2TM7CT7 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 1
(Homo sapiens (Human)) | BDBM50072462
(CHEMBL3409605)Show SMILES CC1CC(CCO1)Nc1nccc(n1)-c1ccn([C@H](CO)c2ccc(Cl)c(F)c2)c(=O)c1 |r| Show InChI InChI=1S/C23H24ClFN4O3/c1-14-10-17(6-9-32-14)27-23-26-7-4-20(28-23)15-5-8-29(22(31)12-15)21(13-30)16-2-3-18(24)19(25)11-16/h2-5,7-8,11-12,14,17,21,30H,6,9-10,13H2,1H3,(H,26,27,28)/t14?,17?,21-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Array BioPharma Inc
Curated by ChEMBL
| Assay Description
Inhibition of 6-His tagged human ERK2 expressed in Escherichia coli measured over 30 mins by competition assay |
J Med Chem 58: 1976-91 (2015)
Article DOI: 10.1021/jm501921k
BindingDB Entry DOI: 10.7270/Q2TM7CT7 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM28594
(4-{3-[(3-fluorophenyl)methoxy]-2-methylphenyl}pipe...)Show InChI InChI=1S/C19H22FNO/c1-14-18(16-8-10-21-11-9-16)6-3-7-19(14)22-13-15-4-2-5-17(20)12-15/h2-7,12,16,21H,8-11,13H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.5 | -48.6 | n/a | n/a | n/a | n/a | n/a | 7.5 | 22 |
Pfizer
| Assay Description
Competition experiments were performed in the presence radioligand with membrane protein (obtained from cells expressing the receptor) and test compo... |
Bioorg Med Chem Lett 19: 2409-12 (2009)
Article DOI: 10.1016/j.bmcl.2009.03.077
BindingDB Entry DOI: 10.7270/Q24T6GP5 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 1
(Homo sapiens (Human)) | BDBM50072463
(CHEMBL3409606)Show SMILES OC[C@H](c1ccc(Cl)c(F)c1)n1ccc(cc1=O)-c1ccnc(NC2CCS(=O)(=O)C2)n1 |r| Show InChI InChI=1S/C21H20ClFN4O4S/c22-16-2-1-14(9-17(16)23)19(11-28)27-7-4-13(10-20(27)29)18-3-6-24-21(26-18)25-15-5-8-32(30,31)12-15/h1-4,6-7,9-10,15,19,28H,5,8,11-12H2,(H,24,25,26)/t15?,19-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Array BioPharma Inc
Curated by ChEMBL
| Assay Description
Inhibition of 6-His tagged human ERK2 expressed in Escherichia coli measured over 30 mins by competition assay |
J Med Chem 58: 1976-91 (2015)
Article DOI: 10.1021/jm501921k
BindingDB Entry DOI: 10.7270/Q2TM7CT7 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM28636
(2-methyl-3-(piperidin-4-yl)phenyl naphthalene-2-su...)Show SMILES Cc1c(OS(=O)(=O)c2ccc3ccccc3c2)cccc1C1CCNCC1 Show InChI InChI=1S/C22H23NO3S/c1-16-21(18-11-13-23-14-12-18)7-4-8-22(16)26-27(24,25)20-10-9-17-5-2-3-6-19(17)15-20/h2-10,15,18,23H,11-14H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.70 | -48.9 | n/a | n/a | n/a | n/a | n/a | n/a | 25 |
Pfizer
| Assay Description
Competition experiments were performed in the presence radioligand with membrane protein (obtained from cells expressing the receptor) and test compo... |
Bioorg Med Chem Lett 19: 2409-12 (2009)
Article DOI: 10.1016/j.bmcl.2009.03.077
BindingDB Entry DOI: 10.7270/Q24T6GP5 |
More data for this
Ligand-Target Pair | |
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