Found 76 hits with Last Name = 'raut' 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 |
|---|
Bile salt export pump
(Homo sapiens (Human)) | BDBM50375590
(CHEMBL1552)Show SMILES C[C@H](CCC(=O)NCC(O)=O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C Show InChI InChI=1S/C26H43NO5/c1-15(4-7-22(30)27-14-23(31)32)18-5-6-19-24-20(9-11-26(18,19)3)25(2)10-8-17(28)12-16(25)13-21(24)29/h15-21,24,28-29H,4-14H2,1-3H3,(H,27,30)(H,31,32)/t15-,16+,17-,18-,19+,20+,21-,24+,25+,26-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
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MCE
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MMDB
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PC sid
PDB
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Similars
| Article
PubMed
| 7.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
King's College Hospital
Curated by ChEMBL
| Assay Description
TP_TRANSPORTER: competitive inhibition of Taurocholate uptake in membrane vesicles prepared from High Five cells infected with the ABCB11 baculovirus |
Gastroenterology 123: 1649-58 (2002)
Article DOI: 10.1053/gast.2002.36591
BindingDB Entry DOI: 10.7270/Q2542RF7 |
More data for this
Ligand-Target Pair | |
Bile salt export pump
(Homo sapiens (Human)) | BDBM50022815
((3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33...)Show SMILES CC[C@@H]1NC(=O)[C@H]([C@H](O)[C@H](C)C\C=C\C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C1=O)C(C)C |r| Show InChI InChI=1S/C62H111N11O12/c1-25-27-28-40(15)52(75)51-56(79)65-43(26-2)58(81)67(18)33-48(74)68(19)44(29-34(3)4)55(78)66-49(38(11)12)61(84)69(20)45(30-35(5)6)54(77)63-41(16)53(76)64-42(17)57(80)70(21)46(31-36(7)8)59(82)71(22)47(32-37(9)10)60(83)72(23)50(39(13)14)62(85)73(51)24/h25,27,34-47,49-52,75H,26,28-33H2,1-24H3,(H,63,77)(H,64,76)(H,65,79)(H,66,78)/b27-25+/t40-,41+,42-,43+,44+,45+,46+,47+,49+,50+,51+,52-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
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MCE
KEGG
MMDB
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| Article
PubMed
| 9.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
King's College Hospital
Curated by ChEMBL
| Assay Description
TP_TRANSPORTER: inhibition of Taurochenodeoxycholate uptake(CsA 30uM, 30 % of control) in membrane vesicles prepared from High Five cells infected wi... |
Gastroenterology 123: 1649-58 (2002)
Article DOI: 10.1053/gast.2002.36591
BindingDB Entry DOI: 10.7270/Q2542RF7 |
More data for this
Ligand-Target Pair | |
Bile salt export pump
(Homo sapiens (Human)) | BDBM50375589
(CHEMBL411070)Show SMILES C[C@H](CCC(=O)NCC(O)=O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C |r| Show InChI InChI=1S/C26H43NO6/c1-14(4-7-22(31)27-13-23(32)33)17-5-6-18-24-19(12-21(30)26(17,18)3)25(2)9-8-16(28)10-15(25)11-20(24)29/h14-21,24,28-30H,4-13H2,1-3H3,(H,27,31)(H,32,33)/t14-,15+,16-,17-,18+,19+,20-,21+,24+,25+,26-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
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CHEMBL
MCE
KEGG
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PC sid
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UniChem
Similars
| Article
PubMed
| 1.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
King's College Hospital
Curated by ChEMBL
| Assay Description
TP_TRANSPORTER: competitive inhibition of Taurocholate uptake in membrane vesicles prepared from High Five cells infected with the ABCB11 baculovirus |
Gastroenterology 123: 1649-58 (2002)
Article DOI: 10.1053/gast.2002.36591
BindingDB Entry DOI: 10.7270/Q2542RF7 |
More data for this
Ligand-Target Pair | |
Bile salt export pump
(Homo sapiens (Human)) | BDBM50012957
(1-((p-(2-(5-chloro-o-anisamido)ethyl)phenyl)sulfon...)Show SMILES COc1ccc(Cl)cc1C(=O)NCCc1ccc(cc1)S(=O)(=O)NC(=O)NC1CCCCC1 Show InChI InChI=1S/C23H28ClN3O5S/c1-32-21-12-9-17(24)15-20(21)22(28)25-14-13-16-7-10-19(11-8-16)33(30,31)27-23(29)26-18-5-3-2-4-6-18/h7-12,15,18H,2-6,13-14H2,1H3,(H,25,28)(H2,26,27,29) | PDB
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| PDB
Article
PubMed
| 2.75E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
King's College Hospital
Curated by ChEMBL
| Assay Description
TP_TRANSPORTER: inhibition of Taurocholate uptake(Glibenclamide 30uM, 50 % of control) in membrane vesicles prepared from High Five cells infected wi... |
Gastroenterology 123: 1649-58 (2002)
Article DOI: 10.1053/gast.2002.36591
BindingDB Entry DOI: 10.7270/Q2542RF7 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Bile salt export pump
(Homo sapiens (Human)) | BDBM50375595
(CHEMBL185878 | Taurochenodeoxycholate)Show SMILES C[C@H](CCC(=O)NCCS(O)(=O)=O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C Show InChI InChI=1S/C26H45NO6S/c1-16(4-7-23(30)27-12-13-34(31,32)33)19-5-6-20-24-21(9-11-26(19,20)3)25(2)10-8-18(28)14-17(25)15-22(24)29/h16-22,24,28-29H,4-15H2,1-3H3,(H,27,30)(H,31,32,33)/t16-,17+,18-,19-,20+,21+,22-,24+,25+,26-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
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| Purchase
CHEMBL
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| 2.80E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
King's College Hospital
Curated by ChEMBL
| Assay Description
TP_TRANSPORTER: competitive inhibition of Taurocholate uptake in membrane vesicles prepared from High Five cells infected with the ABCB11 baculovirus |
Gastroenterology 123: 1649-58 (2002)
Article DOI: 10.1053/gast.2002.36591
BindingDB Entry DOI: 10.7270/Q2542RF7 |
More data for this
Ligand-Target Pair | |
Bile salt export pump
(Homo sapiens (Human)) | BDBM50391000
(CB-01-11 | RIFAMYCIN)Show SMILES CO[C@H]1\C=C\O[C@@]2(C)Oc3c(C2=O)c2c(O)cc(NC(=O)\C(C)=C/C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)c(O)c2c(O)c3C |r,c:23,t:3,25| Show InChI InChI=1S/C37H47NO12/c1-16-11-10-12-17(2)36(46)38-23-15-24(40)26-27(32(23)44)31(43)21(6)34-28(26)35(45)37(8,50-34)48-14-13-25(47-9)18(3)33(49-22(7)39)20(5)30(42)19(4)29(16)41/h10-16,18-20,25,29-30,33,40-44H,1-9H3,(H,38,46)/b11-10+,14-13+,17-12-/t16-,18+,19+,20+,25-,29-,30+,33+,37-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
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MCE
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
King's College Hospital
Curated by ChEMBL
| Assay Description
TP_TRANSPORTER: inhibition of Taurocholate uptake(Rifampicin SV 30uM, 50 % of control) in membrane vesicles prepared from High Five cells infected wi... |
Gastroenterology 123: 1649-58 (2002)
Article DOI: 10.1053/gast.2002.36591
BindingDB Entry DOI: 10.7270/Q2542RF7 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 1
(Rattus norvegicus (rat)) | BDBM50437406
(CHEMBL2408788 | US9023865, 9)Show SMILES Cc1cc(ccn1)-c1n[nH]c2cc(NC(=O)NCc3ccccc3)ncc12 Show InChI InChI=1S/C20H18N6O/c1-13-9-15(7-8-21-13)19-16-12-22-18(10-17(16)25-26-19)24-20(27)23-11-14-5-3-2-4-6-14/h2-10,12H,11H2,1H3,(H,25,26)(H2,22,23,24,27) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| n/a | n/a | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co., Inc.
Curated by ChEMBL
| Assay Description
Inhibition of mouse ERK2 preincubated for 15 mins followed by addition of IMAP peptide substrate and ATP measured after 60 mins by IMAP-FP assay |
J Med Chem 59: 6501-11 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00708
BindingDB Entry DOI: 10.7270/Q2J969VW |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Mitogen-activated protein kinase 1
(Rattus norvegicus (rat)) | BDBM50437406
(CHEMBL2408788 | US9023865, 9)Show SMILES Cc1cc(ccn1)-c1n[nH]c2cc(NC(=O)NCc3ccccc3)ncc12 Show InChI InChI=1S/C20H18N6O/c1-13-9-15(7-8-21-13)19-16-12-22-18(10-17(16)25-26-19)24-20(27)23-11-14-5-3-2-4-6-14/h2-10,12H,11H2,1H3,(H,25,26)(H2,22,23,24,27) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| n/a | n/a | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co., Inc.
Curated by ChEMBL
| Assay Description
Inhibition of mouse ERK2 preincubated for 15 mins followed by addition of IMAP peptide substrate and ATP measured after 60 mins by IMAP-FP assay |
J Med Chem 59: 6501-11 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00708
BindingDB Entry DOI: 10.7270/Q2J969VW |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Mitogen-activated protein kinase 1
(Homo sapiens (Human)) | BDBM50437407
(CHEMBL2408789 | US9023865, 6)Show SMILES C[C@@H](NC(=O)Nc1cc2[nH]nc(-c3ccnc(C)c3)c2cn1)c1ccccc1 |r| Show InChI InChI=1S/C21H20N6O/c1-13-10-16(8-9-22-13)20-17-12-23-19(11-18(17)26-27-20)25-21(28)24-14(2)15-6-4-3-5-7-15/h3-12,14H,1-2H3,(H,26,27)(H2,23,24,25,28)/t14-/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
| n/a | n/a | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co., Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human ERK2 preincubated for 15 mins followed by addition of IMAP peptide substrate and ATP measured after 60 mins by IMAP-FP assay |
J Med Chem 59: 6501-11 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00708
BindingDB Entry DOI: 10.7270/Q2J969VW |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 1
(Homo sapiens (Human)) | BDBM50437407
(CHEMBL2408789 | US9023865, 6)Show SMILES C[C@@H](NC(=O)Nc1cc2[nH]nc(-c3ccnc(C)c3)c2cn1)c1ccccc1 |r| Show InChI InChI=1S/C21H20N6O/c1-13-10-16(8-9-22-13)20-17-12-23-19(11-18(17)26-27-20)25-21(28)24-14(2)15-6-4-3-5-7-15/h3-12,14H,1-2H3,(H,26,27)(H2,23,24,25,28)/t14-/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
| n/a | n/a | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co., Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human ERK2 preincubated for 15 mins followed by addition of IMAP peptide substrate and ATP measured after 60 mins by IMAP-FP assay |
J Med Chem 59: 6501-11 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00708
BindingDB Entry DOI: 10.7270/Q2J969VW |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 1
(Homo sapiens (Human)) | BDBM157183
(US9023865, 29)Show SMILES C[C@@H](NC(=O)Nc1cc2[nH]nc(-c3cnn(C)c3)c2cn1)c1ccccc1 |r| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.300 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co., Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human ERK2 preincubated for 15 mins followed by addition of IMAP peptide substrate and ATP measured after 60 mins by IMAP-FP assay |
J Med Chem 59: 6501-11 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00708
BindingDB Entry DOI: 10.7270/Q2J969VW |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 1
(Homo sapiens (Human)) | BDBM157185
(US9023865, 31)Show SMILES C[C@@H](NC(=O)Nc1cc2[nH]nc(-c3cc(C)nc(C)c3)c2cn1)c1ccccc1 |r| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.300 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co., Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human ERK2 preincubated for 15 mins followed by addition of IMAP peptide substrate and ATP measured after 60 mins by IMAP-FP assay |
J Med Chem 59: 6501-11 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00708
BindingDB Entry DOI: 10.7270/Q2J969VW |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 1
(Homo sapiens (Human)) | BDBM157795
(US9023865, 636)Show SMILES C[C@@H](NC(=O)Nc1cc2[nH]nc(-c3ccnc(F)c3)c2cn1)c1ccccc1 |r| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.300 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co., Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human ERK2 preincubated for 15 mins followed by addition of IMAP peptide substrate and ATP measured after 60 mins by IMAP-FP assay |
J Med Chem 59: 6501-11 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00708
BindingDB Entry DOI: 10.7270/Q2J969VW |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 1
(Homo sapiens (Human)) | BDBM157795
(US9023865, 636)Show SMILES C[C@@H](NC(=O)Nc1cc2[nH]nc(-c3ccnc(F)c3)c2cn1)c1ccccc1 |r| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.300 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co., Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human ERK2 preincubated for 15 mins followed by addition of IMAP peptide substrate and ATP measured after 60 mins by IMAP-FP assay |
J Med Chem 59: 6501-11 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00708
BindingDB Entry DOI: 10.7270/Q2J969VW |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 1
(Homo sapiens (Human)) | BDBM157185
(US9023865, 31)Show SMILES C[C@@H](NC(=O)Nc1cc2[nH]nc(-c3cc(C)nc(C)c3)c2cn1)c1ccccc1 |r| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.300 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co., Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human ERK2 preincubated for 15 mins followed by addition of IMAP peptide substrate and ATP measured after 60 mins by IMAP-FP assay |
J Med Chem 59: 6501-11 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00708
BindingDB Entry DOI: 10.7270/Q2J969VW |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 1
(Homo sapiens (Human)) | BDBM157183
(US9023865, 29)Show SMILES C[C@@H](NC(=O)Nc1cc2[nH]nc(-c3cnn(C)c3)c2cn1)c1ccccc1 |r| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.300 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co., Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human ERK2 preincubated for 15 mins followed by addition of IMAP peptide substrate and ATP measured after 60 mins by IMAP-FP assay |
J Med Chem 59: 6501-11 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00708
BindingDB Entry DOI: 10.7270/Q2J969VW |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 1
(Homo sapiens (Human)) | BDBM50094464
(CHEMBL3590107 | US10525036, Example SCH772984 | US...)Show SMILES O=C(CN1CC[C@H](C1)C(=O)Nc1ccc2[nH]nc(-c3ccncc3)c2c1)N1CCN(CC1)c1ccc(cc1)-c1ncccn1 |r| Show InChI InChI=1S/C22H27NO3/c1-2-15-23-16-13-20(14-17-23)26-21(24)22(25,18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-12,20,25H,2,13-17H2,1H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| n/a | n/a | 0.400 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co., Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human ERK2 preincubated for 15 mins followed by addition of IMAP peptide substrate and ATP measured after 60 mins by IMAP-FP assay |
J Med Chem 59: 6501-11 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00708
BindingDB Entry DOI: 10.7270/Q2J969VW |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Mitogen-activated protein kinase 1
(Homo sapiens (Human)) | BDBM50094464
(CHEMBL3590107 | US10525036, Example SCH772984 | US...)Show SMILES O=C(CN1CC[C@H](C1)C(=O)Nc1ccc2[nH]nc(-c3ccncc3)c2c1)N1CCN(CC1)c1ccc(cc1)-c1ncccn1 |r| Show InChI InChI=1S/C22H27NO3/c1-2-15-23-16-13-20(14-17-23)26-21(24)22(25,18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-12,20,25H,2,13-17H2,1H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| n/a | n/a | 0.400 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co., Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human ERK2 preincubated for 15 mins followed by addition of IMAP peptide substrate and ATP measured after 60 mins by IMAP-FP assay |
J Med Chem 59: 6501-11 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00708
BindingDB Entry DOI: 10.7270/Q2J969VW |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Mitogen-activated protein kinase 1
(Rattus norvegicus (rat)) | BDBM157161
(US9023865, 5)Show SMILES Cc1cc(ccn1)-c1n[nH]c2cc(NC(=O)NCCc3ccccc3)ncc12 Show InChI InChI=1S/C21H20N6O/c1-14-11-16(8-10-22-14)20-17-13-24-19(12-18(17)26-27-20)25-21(28)23-9-7-15-5-3-2-4-6-15/h2-6,8,10-13H,7,9H2,1H3,(H,26,27)(H2,23,24,25,28) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co., Inc.
Curated by ChEMBL
| Assay Description
Inhibition of mouse ERK2 preincubated for 15 mins followed by addition of IMAP peptide substrate and ATP measured after 60 mins by IMAP-FP assay |
J Med Chem 59: 6501-11 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00708
BindingDB Entry DOI: 10.7270/Q2J969VW |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 1
(Rattus norvegicus (rat)) | BDBM157161
(US9023865, 5)Show SMILES Cc1cc(ccn1)-c1n[nH]c2cc(NC(=O)NCCc3ccccc3)ncc12 Show InChI InChI=1S/C21H20N6O/c1-14-11-16(8-10-22-14)20-17-13-24-19(12-18(17)26-27-20)25-21(28)23-9-7-15-5-3-2-4-6-15/h2-6,8,10-13H,7,9H2,1H3,(H,26,27)(H2,23,24,25,28) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co., Inc.
Curated by ChEMBL
| Assay Description
Inhibition of mouse ERK2 preincubated for 15 mins followed by addition of IMAP peptide substrate and ATP measured after 60 mins by IMAP-FP assay |
J Med Chem 59: 6501-11 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00708
BindingDB Entry DOI: 10.7270/Q2J969VW |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 1
(Homo sapiens (Human)) | BDBM157184
(US9023865, 30)Show SMILES C[C@@H](NC(=O)Nc1cc2[nH]nc(-c3ccc(F)cc3)c2cn1)c1ccccc1 |r| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.800 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co., Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human ERK2 preincubated for 15 mins followed by addition of IMAP peptide substrate and ATP measured after 60 mins by IMAP-FP assay |
J Med Chem 59: 6501-11 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00708
BindingDB Entry DOI: 10.7270/Q2J969VW |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 1
(Homo sapiens (Human)) | BDBM157184
(US9023865, 30)Show SMILES C[C@@H](NC(=O)Nc1cc2[nH]nc(-c3ccc(F)cc3)c2cn1)c1ccccc1 |r| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.800 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co., Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human ERK2 preincubated for 15 mins followed by addition of IMAP peptide substrate and ATP measured after 60 mins by IMAP-FP assay |
J Med Chem 59: 6501-11 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00708
BindingDB Entry DOI: 10.7270/Q2J969VW |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 1
(Homo sapiens (Human)) | BDBM157820
(US9023865, 661)Show SMILES COc1cc(ccn1)-c1n[nH]c2cc(NC(=O)N[C@H](C)c3ccccc3)ncc12 |r| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.900 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co., Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human ERK2 preincubated for 15 mins followed by addition of IMAP peptide substrate and ATP measured after 60 mins by IMAP-FP assay |
J Med Chem 59: 6501-11 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00708
BindingDB Entry DOI: 10.7270/Q2J969VW |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 1
(Homo sapiens (Human)) | BDBM157245
(US9023865, 91)Show SMILES C[C@@H](NC(=O)Nc1cc2[nH]nc(-c3cnnc(C)c3)c2cn1)c1ccccc1 |r| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.900 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co., Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human ERK2 preincubated for 15 mins followed by addition of IMAP peptide substrate and ATP measured after 60 mins by IMAP-FP assay |
J Med Chem 59: 6501-11 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00708
BindingDB Entry DOI: 10.7270/Q2J969VW |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 1
(Homo sapiens (Human)) | BDBM50437406
(CHEMBL2408788 | US9023865, 9)Show SMILES Cc1cc(ccn1)-c1n[nH]c2cc(NC(=O)NCc3ccccc3)ncc12 Show InChI InChI=1S/C20H18N6O/c1-13-9-15(7-8-21-13)19-16-12-22-18(10-17(16)25-26-19)24-20(27)23-11-14-5-3-2-4-6-14/h2-10,12H,11H2,1H3,(H,25,26)(H2,22,23,24,27) | 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
| n/a | n/a | 0.900 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co., Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human ERK2 preincubated for 15 mins followed by addition of IMAP peptide substrate and ATP measured after 60 mins by IMAP-FP assay |
J Med Chem 59: 6501-11 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00708
BindingDB Entry DOI: 10.7270/Q2J969VW |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Mitogen-activated protein kinase 1
(Homo sapiens (Human)) | BDBM157820
(US9023865, 661)Show SMILES COc1cc(ccn1)-c1n[nH]c2cc(NC(=O)N[C@H](C)c3ccccc3)ncc12 |r| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.900 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co., Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human ERK2 preincubated for 15 mins followed by addition of IMAP peptide substrate and ATP measured after 60 mins by IMAP-FP assay |
J Med Chem 59: 6501-11 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00708
BindingDB Entry DOI: 10.7270/Q2J969VW |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 1
(Homo sapiens (Human)) | BDBM50437406
(CHEMBL2408788 | US9023865, 9)Show SMILES Cc1cc(ccn1)-c1n[nH]c2cc(NC(=O)NCc3ccccc3)ncc12 Show InChI InChI=1S/C20H18N6O/c1-13-9-15(7-8-21-13)19-16-12-22-18(10-17(16)25-26-19)24-20(27)23-11-14-5-3-2-4-6-14/h2-10,12H,11H2,1H3,(H,25,26)(H2,22,23,24,27) | 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
| n/a | n/a | 0.900 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co., Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human ERK2 preincubated for 15 mins followed by addition of IMAP peptide substrate and ATP measured after 60 mins by IMAP-FP assay |
J Med Chem 59: 6501-11 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00708
BindingDB Entry DOI: 10.7270/Q2J969VW |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Mitogen-activated protein kinase 1
(Homo sapiens (Human)) | BDBM157245
(US9023865, 91)Show SMILES C[C@@H](NC(=O)Nc1cc2[nH]nc(-c3cnnc(C)c3)c2cn1)c1ccccc1 |r| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.900 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co., Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human ERK2 preincubated for 15 mins followed by addition of IMAP peptide substrate and ATP measured after 60 mins by IMAP-FP assay |
J Med Chem 59: 6501-11 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00708
BindingDB Entry DOI: 10.7270/Q2J969VW |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 1
(Homo sapiens (Human)) | BDBM157179
(US9023865, 25)Show SMILES C[C@@H](NC(=O)Nc1cc2[nH]nc(C3CC3)c2cn1)c1ccccc1 |r| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co., Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human ERK2 preincubated for 15 mins followed by addition of IMAP peptide substrate and ATP measured after 60 mins by IMAP-FP assay |
J Med Chem 59: 6501-11 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00708
BindingDB Entry DOI: 10.7270/Q2J969VW |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 1
(Homo sapiens (Human)) | BDBM157179
(US9023865, 25)Show SMILES C[C@@H](NC(=O)Nc1cc2[nH]nc(C3CC3)c2cn1)c1ccccc1 |r| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co., Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human ERK2 preincubated for 15 mins followed by addition of IMAP peptide substrate and ATP measured after 60 mins by IMAP-FP assay |
J Med Chem 59: 6501-11 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00708
BindingDB Entry DOI: 10.7270/Q2J969VW |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 1
(Homo sapiens (Human)) | BDBM157176
(US9023865, 22)Show SMILES CCCc1n[nH]c2cc(NC(=O)N[C@H](C)c3ccccc3)ncc12 |r| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co., Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human ERK2 preincubated for 15 mins followed by addition of IMAP peptide substrate and ATP measured after 60 mins by IMAP-FP assay |
J Med Chem 59: 6501-11 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00708
BindingDB Entry DOI: 10.7270/Q2J969VW |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 1
(Homo sapiens (Human)) | BDBM157176
(US9023865, 22)Show SMILES CCCc1n[nH]c2cc(NC(=O)N[C@H](C)c3ccccc3)ncc12 |r| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co., Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human ERK2 preincubated for 15 mins followed by addition of IMAP peptide substrate and ATP measured after 60 mins by IMAP-FP assay |
J Med Chem 59: 6501-11 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00708
BindingDB Entry DOI: 10.7270/Q2J969VW |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 1
(Homo sapiens (Human)) | BDBM157812
(US9023865, 653)Show SMILES C[C@@H](NC(=O)Nc1cc2[nH]nc(C3CCCC3)c2cn1)c1ccccc1 |r| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co., Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human ERK2 preincubated for 15 mins followed by addition of IMAP peptide substrate and ATP measured after 60 mins by IMAP-FP assay |
J Med Chem 59: 6501-11 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00708
BindingDB Entry DOI: 10.7270/Q2J969VW |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 1
(Homo sapiens (Human)) | BDBM157812
(US9023865, 653)Show SMILES C[C@@H](NC(=O)Nc1cc2[nH]nc(C3CCCC3)c2cn1)c1ccccc1 |r| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co., Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human ERK2 preincubated for 15 mins followed by addition of IMAP peptide substrate and ATP measured after 60 mins by IMAP-FP assay |
J Med Chem 59: 6501-11 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00708
BindingDB Entry DOI: 10.7270/Q2J969VW |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 1
(Homo sapiens (Human)) | BDBM157232
(US9023865, 78)Show SMILES Cc1cc(ccn1)-c1n[nH]c2cc(NC(=O)NC3CCc4ccccc34)ncc12 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co., Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human ERK2 preincubated for 15 mins followed by addition of IMAP peptide substrate and ATP measured after 60 mins by IMAP-FP assay |
J Med Chem 59: 6501-11 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00708
BindingDB Entry DOI: 10.7270/Q2J969VW |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 1
(Homo sapiens (Human)) | BDBM157232
(US9023865, 78)Show SMILES Cc1cc(ccn1)-c1n[nH]c2cc(NC(=O)NC3CCc4ccccc34)ncc12 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co., Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human ERK2 preincubated for 15 mins followed by addition of IMAP peptide substrate and ATP measured after 60 mins by IMAP-FP assay |
J Med Chem 59: 6501-11 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00708
BindingDB Entry DOI: 10.7270/Q2J969VW |
More data for this
Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 1/2
(Homo sapiens (Human)) | BDBM50094464
(CHEMBL3590107 | US10525036, Example SCH772984 | US...)Show SMILES O=C(CN1CC[C@H](C1)C(=O)Nc1ccc2[nH]nc(-c3ccncc3)c2c1)N1CCN(CC1)c1ccc(cc1)-c1ncccn1 |r| Show InChI InChI=1S/C22H27NO3/c1-2-15-23-16-13-20(14-17-23)26-21(24)22(25,18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-12,20,25H,2,13-17H2,1H3 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co., Inc.
Curated by ChEMBL
| Assay Description
Inhibition of MEK in human A375 cells assessed as inhibition of ERK phosphorylation |
J Med Chem 59: 6501-11 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00708
BindingDB Entry DOI: 10.7270/Q2J969VW |
More data for this
Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 1/2
(Homo sapiens (Human)) | BDBM50094464
(CHEMBL3590107 | US10525036, Example SCH772984 | US...)Show SMILES O=C(CN1CC[C@H](C1)C(=O)Nc1ccc2[nH]nc(-c3ccncc3)c2c1)N1CCN(CC1)c1ccc(cc1)-c1ncccn1 |r| Show InChI InChI=1S/C22H27NO3/c1-2-15-23-16-13-20(14-17-23)26-21(24)22(25,18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-12,20,25H,2,13-17H2,1H3 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co., Inc.
Curated by ChEMBL
| Assay Description
Inhibition of MEK in human A375 cells assessed as inhibition of ERK phosphorylation |
J Med Chem 59: 6501-11 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00708
BindingDB Entry DOI: 10.7270/Q2J969VW |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 1
(Homo sapiens (Human)) | BDBM157248
(US9023865, 94)Show SMILES Cc1cc(ccn1)-c1n[nH]c2cc(NC(=S)NCc3ccccc3)ncc12 Show InChI InChI=1S/C20H18N6S/c1-13-9-15(7-8-21-13)19-16-12-22-18(10-17(16)25-26-19)24-20(27)23-11-14-5-3-2-4-6-14/h2-10,12H,11H2,1H3,(H,25,26)(H2,22,23,24,27) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co., Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human ERK2 preincubated for 15 mins followed by addition of IMAP peptide substrate and ATP measured after 60 mins by IMAP-FP assay |
J Med Chem 59: 6501-11 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00708
BindingDB Entry DOI: 10.7270/Q2J969VW |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 1
(Homo sapiens (Human)) | BDBM157248
(US9023865, 94)Show SMILES Cc1cc(ccn1)-c1n[nH]c2cc(NC(=S)NCc3ccccc3)ncc12 Show InChI InChI=1S/C20H18N6S/c1-13-9-15(7-8-21-13)19-16-12-22-18(10-17(16)25-26-19)24-20(27)23-11-14-5-3-2-4-6-14/h2-10,12H,11H2,1H3,(H,25,26)(H2,22,23,24,27) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co., Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human ERK2 preincubated for 15 mins followed by addition of IMAP peptide substrate and ATP measured after 60 mins by IMAP-FP assay |
J Med Chem 59: 6501-11 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00708
BindingDB Entry DOI: 10.7270/Q2J969VW |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 1
(Rattus norvegicus (rat)) | BDBM157162
(US9023865, 7)Show SMILES C[C@H](NC(=O)Nc1cc2[nH]nc(-c3ccnc(C)c3)c2cn1)c1ccccc1 |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| 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 |
Merck & Co., Inc.
Curated by ChEMBL
| Assay Description
Inhibition of mouse ERK2 preincubated for 15 mins followed by addition of IMAP peptide substrate and ATP measured after 60 mins by IMAP-FP assay |
J Med Chem 59: 6501-11 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00708
BindingDB Entry DOI: 10.7270/Q2J969VW |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 1
(Rattus norvegicus (rat)) | BDBM157162
(US9023865, 7)Show SMILES C[C@H](NC(=O)Nc1cc2[nH]nc(-c3ccnc(C)c3)c2cn1)c1ccccc1 |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| 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 |
Merck & Co., Inc.
Curated by ChEMBL
| Assay Description
Inhibition of mouse ERK2 preincubated for 15 mins followed by addition of IMAP peptide substrate and ATP measured after 60 mins by IMAP-FP assay |
J Med Chem 59: 6501-11 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00708
BindingDB Entry DOI: 10.7270/Q2J969VW |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 1
(Homo sapiens (Human)) | BDBM50532689
(CHEMBL4475587)Show InChI InChI=1S/C15H12N6S/c1-9-6-10(2-3-16-9)14-11-8-18-13(7-12(11)20-21-14)19-15-17-4-5-22-15/h2-8H,1H3,(H,20,21)(H,17,18,19) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 56 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co., Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human ERK2 preincubated for 15 mins followed by addition of IMAP peptide substrate and ATP measured after 60 mins by IMAP-FP assay |
J Med Chem 59: 6501-11 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00708
BindingDB Entry DOI: 10.7270/Q2J969VW |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 1
(Homo sapiens (Human)) | BDBM50532689
(CHEMBL4475587)Show InChI InChI=1S/C15H12N6S/c1-9-6-10(2-3-16-9)14-11-8-18-13(7-12(11)20-21-14)19-15-17-4-5-22-15/h2-8H,1H3,(H,20,21)(H,17,18,19) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 56 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co., Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human ERK2 preincubated for 15 mins followed by addition of IMAP peptide substrate and ATP measured after 60 mins by IMAP-FP assay |
J Med Chem 59: 6501-11 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00708
BindingDB Entry DOI: 10.7270/Q2J969VW |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 1
(Homo sapiens (Human)) | BDBM157215
(US9023865, 61)Show SMILES Cc1cc(ccn1)-c1n[nH]c2cc(NC(=O)Nc3ccccc3)ncc12 Show InChI InChI=1S/C19H16N6O/c1-12-9-13(7-8-20-12)18-15-11-21-17(10-16(15)24-25-18)23-19(26)22-14-5-3-2-4-6-14/h2-11H,1H3,(H,24,25)(H2,21,22,23,26) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 130 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co., Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human ERK2 preincubated for 15 mins followed by addition of IMAP peptide substrate and ATP measured after 60 mins by IMAP-FP assay |
J Med Chem 59: 6501-11 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00708
BindingDB Entry DOI: 10.7270/Q2J969VW |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 1
(Homo sapiens (Human)) | BDBM157215
(US9023865, 61)Show SMILES Cc1cc(ccn1)-c1n[nH]c2cc(NC(=O)Nc3ccccc3)ncc12 Show InChI InChI=1S/C19H16N6O/c1-12-9-13(7-8-20-12)18-15-11-21-17(10-16(15)24-25-18)23-19(26)22-14-5-3-2-4-6-14/h2-11H,1H3,(H,24,25)(H2,21,22,23,26) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 130 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co., Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human ERK2 preincubated for 15 mins followed by addition of IMAP peptide substrate and ATP measured after 60 mins by IMAP-FP assay |
J Med Chem 59: 6501-11 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00708
BindingDB Entry DOI: 10.7270/Q2J969VW |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM157183
(US9023865, 29)Show SMILES C[C@@H](NC(=O)Nc1cc2[nH]nc(-c3cnn(C)c3)c2cn1)c1ccccc1 |r| | 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 | 380 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co., Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 (unknown origin) |
J Med Chem 59: 6501-11 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00708
BindingDB Entry DOI: 10.7270/Q2J969VW |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM157183
(US9023865, 29)Show SMILES C[C@@H](NC(=O)Nc1cc2[nH]nc(-c3cnn(C)c3)c2cn1)c1ccccc1 |r| | 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 | 380 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co., Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 (unknown origin) |
J Med Chem 59: 6501-11 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00708
BindingDB Entry DOI: 10.7270/Q2J969VW |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 1
(Rattus norvegicus (rat)) | BDBM50532690
(CHEMBL4535851)Show SMILES Cc1cc(ccn1)-c1n[nH]c2cc(NC(=O)CCc3ccccc3)ncc12 Show InChI InChI=1S/C21H19N5O/c1-14-11-16(9-10-22-14)21-17-13-23-19(12-18(17)25-26-21)24-20(27)8-7-15-5-3-2-4-6-15/h2-6,9-13H,7-8H2,1H3,(H,25,26)(H,23,24,27) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 420 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co., Inc.
Curated by ChEMBL
| Assay Description
Inhibition of mouse ERK2 preincubated for 15 mins followed by addition of IMAP peptide substrate and ATP measured after 60 mins by IMAP-FP assay |
J Med Chem 59: 6501-11 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00708
BindingDB Entry DOI: 10.7270/Q2J969VW |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 1
(Rattus norvegicus (rat)) | BDBM50532690
(CHEMBL4535851)Show SMILES Cc1cc(ccn1)-c1n[nH]c2cc(NC(=O)CCc3ccccc3)ncc12 Show InChI InChI=1S/C21H19N5O/c1-14-11-16(9-10-22-14)21-17-13-23-19(12-18(17)25-26-21)24-20(27)8-7-15-5-3-2-4-6-15/h2-6,9-13H,7-8H2,1H3,(H,25,26)(H,23,24,27) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 420 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co., Inc.
Curated by ChEMBL
| Assay Description
Inhibition of mouse ERK2 preincubated for 15 mins followed by addition of IMAP peptide substrate and ATP measured after 60 mins by IMAP-FP assay |
J Med Chem 59: 6501-11 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00708
BindingDB Entry DOI: 10.7270/Q2J969VW |
More data for this
Ligand-Target Pair | |
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