Found 257 hits with Last Name = 'appleby' and Initial = 't' 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 |
|---|
Peptidyl-prolyl cis-trans isomerase A
(Homo sapiens (Human)) | BDBM50230294
(CHEMBL4071740)Show SMILES CO[C@@H]1CC\C=C\c2cccc(c2)[C@@H](C)OC(=O)[C@@H]2CCCN(N2)C(=O)[C@H](Cc2cccc(O)c2)NC(=O)[C@@H](NC(=O)[C@@H]1C)C(C)C |r,t:5| Show InChI InChI=1S/C36H48N4O7/c1-22(2)32-34(43)37-30(21-26-13-9-15-28(41)20-26)35(44)40-18-10-16-29(39-40)36(45)47-24(4)27-14-8-12-25(19-27)11-6-7-17-31(46-5)23(3)33(42)38-32/h6,8-9,11-15,19-20,22-24,29-32,39,41H,7,10,16-18,21H2,1-5H3,(H,37,43)(H,38,42)/b11-6+/t23-,24-,29+,30+,31-,32+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Selcia Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of full length recombinant human N-terminal His8-tagged Cyclophilin A (1 to 169 residues) expressed in Escherichia coli BL21(DE3) using Su... |
J Med Chem 60: 1000-1017 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01329
BindingDB Entry DOI: 10.7270/Q2JQ137K |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Peptidyl-prolyl cis-trans isomerase A
(Homo sapiens (Human)) | BDBM50230211
(CHEMBL4063126)Show SMILES CC(C)[C@@H]1NC(=O)CCCC\C=C\c2cccc(c2)[C@@H](C)OC(=O)[C@@H]2CCCN(N2)C(=O)[C@H](C)NC1=O |r,t:11| Show InChI InChI=1S/C28H40N4O5/c1-18(2)25-26(34)29-19(3)27(35)32-16-10-14-23(31-32)28(36)37-20(4)22-13-9-12-21(17-22)11-7-5-6-8-15-24(33)30-25/h7,9,11-13,17-20,23,25,31H,5-6,8,10,14-16H2,1-4H3,(H,29,34)(H,30,33)/b11-7+/t19-,20+,23-,25-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 4.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Selcia Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of full length recombinant human N-terminal His8-tagged Cyclophilin A (1 to 169 residues) expressed in Escherichia coli BL21(DE3) using Su... |
J Med Chem 60: 1000-1017 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01329
BindingDB Entry DOI: 10.7270/Q2JQ137K |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase A
(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
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
KEGG
MMDB
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 6.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Selcia Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of full length recombinant human N-terminal His8-tagged Cyclophilin A (1 to 169 residues) expressed in Escherichia coli BL21(DE3) using Su... |
J Med Chem 60: 1000-1017 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01329
BindingDB Entry DOI: 10.7270/Q2JQ137K |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase A
(Homo sapiens (Human)) | BDBM50230212
(CHEMBL4084776)Show SMILES CO[C@@H]1CC\C=C\c2cccc(c2)[C@@H](C)OC(=O)[C@@H]2CCCN(N2)C(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@@H]1C)C(C)C |r,t:5| Show InChI InChI=1S/C30H44N4O6/c1-18(2)26-28(36)31-20(4)29(37)34-16-10-14-24(33-34)30(38)40-21(5)23-13-9-12-22(17-23)11-7-8-15-25(39-6)19(3)27(35)32-26/h7,9,11-13,17-21,24-26,33H,8,10,14-16H2,1-6H3,(H,31,36)(H,32,35)/b11-7+/t19-,20+,21-,24+,25-,26+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| 7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Selcia Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of full length recombinant human N-terminal His8-tagged Cyclophilin A (1 to 169 residues) expressed in Escherichia coli BL21(DE3) using Su... |
J Med Chem 60: 1000-1017 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01329
BindingDB Entry DOI: 10.7270/Q2JQ137K |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Peptidyl-prolyl cis-trans isomerase A
(Homo sapiens (Human)) | BDBM50230213
(CHEMBL4092526)Show SMILES CO[C@@H]1CC\C=C\c2cccc(COC(=O)[C@@H]3CCCN(N3)C(=O)[C@H](Cc3cccc(O)c3)NC(=O)[C@@H](NC(=O)[C@@H]1C)C(C)C)c2 |r,t:5| Show InChI InChI=1S/C35H46N4O7/c1-22(2)31-33(42)36-29(20-25-12-8-14-27(40)19-25)34(43)39-17-9-15-28(38-39)35(44)46-21-26-13-7-11-24(18-26)10-5-6-16-30(45-4)23(3)32(41)37-31/h5,7-8,10-14,18-19,22-23,28-31,38,40H,6,9,15-17,20-21H2,1-4H3,(H,36,42)(H,37,41)/b10-5+/t23-,28+,29+,30-,31+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| 14 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Selcia Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of full length recombinant human N-terminal His8-tagged Cyclophilin A (1 to 169 residues) expressed in Escherichia coli BL21(DE3) using Su... |
J Med Chem 60: 1000-1017 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01329
BindingDB Entry DOI: 10.7270/Q2JQ137K |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Peptidyl-prolyl cis-trans isomerase A
(Homo sapiens (Human)) | BDBM50230210
(CHEMBL4090107)Show SMILES CO[C@H]1\C=C\C=C\CCOC(=O)[C@@H]2CCCN(N2)C(=O)[C@H](Cc2cccc(O)c2)NC(=O)[C@@H](NC(=O)[C@H](C)[C@H](OC)[C@H]1C)C(C)C |r,t:3,5| Show InChI InChI=1S/C34H50N4O8/c1-21(2)29-32(41)35-27(20-24-13-11-14-25(39)19-24)33(42)38-17-12-15-26(37-38)34(43)46-18-10-8-7-9-16-28(44-5)22(3)30(45-6)23(4)31(40)36-29/h7-9,11,13-14,16,19,21-23,26-30,37,39H,10,12,15,17-18,20H2,1-6H3,(H,35,41)(H,36,40)/b8-7+,16-9+/t22-,23+,26-,27-,28-,29-,30+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
| PDB
Article
PubMed
| 16 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Selcia Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of full length recombinant human N-terminal His8-tagged Cyclophilin A (1 to 169 residues) expressed in Escherichia coli BL21(DE3) using Su... |
J Med Chem 60: 1000-1017 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01329
BindingDB Entry DOI: 10.7270/Q2JQ137K |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Peptidyl-prolyl cis-trans isomerase A
(Homo sapiens (Human)) | BDBM50230209
(CHEMBL4100272)Show SMILES CO[C@@H]1CC\C=C\C=C\CCOC(=O)[C@@H]2CCCN(N2)C(=O)[C@H](Cc2cccc(O)c2)NC(=O)[C@@H](NC(=O)[C@@H]1C)C(C)C |r,t:5,7| Show InChI InChI=1S/C32H46N4O7/c1-21(2)28-30(39)33-26(20-23-13-11-14-24(37)19-23)31(40)36-17-12-15-25(35-36)32(41)43-18-10-8-6-5-7-9-16-27(42-4)22(3)29(38)34-28/h5-8,11,13-14,19,21-22,25-28,35,37H,9-10,12,15-18,20H2,1-4H3,(H,33,39)(H,34,38)/b7-5+,8-6+/t22-,25+,26+,27-,28+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 65 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Selcia Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of full length recombinant human N-terminal His8-tagged Cyclophilin A (1 to 169 residues) expressed in Escherichia coli BL21(DE3) using Su... |
J Med Chem 60: 1000-1017 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01329
BindingDB Entry DOI: 10.7270/Q2JQ137K |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase A
(Homo sapiens (Human)) | BDBM50230293
(CHEMBL4082253)Show SMILES CC(C)[C@@H]1NC(=O)CCCC\C=C\C=C\CCOC(=O)[C@@H]2CCCN(N2)C(=O)[C@H](Cc2cccc(O)c2)NC1=O |r,t:11,13| Show InChI InChI=1S/C30H42N4O6/c1-21(2)27-28(37)31-25(20-22-13-11-14-23(35)19-22)29(38)34-17-12-15-24(33-34)30(39)40-18-10-8-6-4-3-5-7-9-16-26(36)32-27/h3-4,6,8,11,13-14,19,21,24-25,27,33,35H,5,7,9-10,12,15-18,20H2,1-2H3,(H,31,37)(H,32,36)/b4-3+,8-6+/t24-,25-,27-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
Article
PubMed
| 795 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Selcia Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of full length recombinant human N-terminal His8-tagged Cyclophilin A (1 to 169 residues) expressed in Escherichia coli BL21(DE3) using Su... |
J Med Chem 60: 1000-1017 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01329
BindingDB Entry DOI: 10.7270/Q2JQ137K |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Serine/threonine-protein kinase Chk2
(Homo sapiens (Human)) | BDBM50196392
(3-hydroxy-N-(2-hydroxy-1-methyl-ethyl)-5-(4-phenyl...)Show SMILES CC(CO)N=C(N)c1c(Nc2ccc(Nc3ccccc3)cc2)s[nH]c1=O |w:4.3| Show InChI InChI=1S/C19H21N5O2S/c1-12(11-25)21-17(20)16-18(26)24-27-19(16)23-15-9-7-14(8-10-15)22-13-5-3-2-4-6-13/h2-10,12,22-23,25H,11H2,1H3,(H2,20,21)(H,24,26) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Valeant Pharmaceuticals Research & Development
Curated by ChEMBL
| Assay Description
Inhibition of CHK2 |
Bioorg Med Chem Lett 16: 5561-6 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.048
BindingDB Entry DOI: 10.7270/Q2J38S5D |
More data for this
Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 1
(Homo sapiens (Human)) | BDBM50194053
(5-4-2,3-difluorophenoxy)phenylamino)-3-hydroxy-N-1...)Show SMILES CC(CO)N=C(N)c1c(Nc2ccc(Oc3cccc(F)c3F)cc2)s[nH]c1=O |w:4.3| Show InChI InChI=1S/C19H18F2N4O3S/c1-10(9-26)23-17(22)15-18(27)25-29-19(15)24-11-5-7-12(8-6-11)28-14-4-2-3-13(20)16(14)21/h2-8,10,24,26H,9H2,1H3,(H2,22,23)(H,25,27) | PDB
MMDB
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 | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Valeant Pharmaceuticals Research & Development
Curated by ChEMBL
| Assay Description
Inhibition of MEK-1 activity |
Bioorg Med Chem Lett 16: 5561-6 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.048
BindingDB Entry DOI: 10.7270/Q2J38S5D |
More data for this
Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 1
(Homo sapiens (Human)) | BDBM50194048
(5-4-3,5-dichlorophenoxy)phenylamino)-3-hydroxy-N-1...)Show SMILES CC(CO)N=C(N)c1c(Nc2ccc(Oc3cc(Cl)cc(Cl)c3)cc2)s[nH]c1=O |w:4.3| Show InChI InChI=1S/C19H18Cl2N4O3S/c1-10(9-26)23-17(22)16-18(27)25-29-19(16)24-13-2-4-14(5-3-13)28-15-7-11(20)6-12(21)8-15/h2-8,10,24,26H,9H2,1H3,(H2,22,23)(H,25,27) | PDB
MMDB
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 | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Valeant Pharmaceuticals Research & Development
Curated by ChEMBL
| Assay Description
Inhibition of MEK-1 activity |
Bioorg Med Chem Lett 16: 5561-6 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.048
BindingDB Entry DOI: 10.7270/Q2J38S5D |
More data for this
Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 1
(Homo sapiens (Human)) | BDBM50194024
(3-hydroxy-N-1-hydroxypropan-2-yl)-5-4-phenoxypheny...)Show SMILES CC(CO)N=C(N)c1c(Nc2ccc(Oc3ccccc3)cc2)s[nH]c1=O |w:4.3| Show InChI InChI=1S/C19H20N4O3S/c1-12(11-24)21-17(20)16-18(25)23-27-19(16)22-13-7-9-15(10-8-13)26-14-5-3-2-4-6-14/h2-10,12,22,24H,11H2,1H3,(H2,20,21)(H,23,25) | PDB
MMDB
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 | 26 | n/a | n/a | n/a | n/a | n/a | n/a |
Valeant Pharmaceuticals Research & Development
Curated by ChEMBL
| Assay Description
Inhibition of MEK-1 |
Bioorg Med Chem Lett 16: 5561-6 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.048
BindingDB Entry DOI: 10.7270/Q2J38S5D |
More data for this
Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 1
(Homo sapiens (Human)) | BDBM50194030
(5-4-2,5-dichlorophenoxy)-3-fluorophenylamino)-3-hy...)Show SMILES CC(CO)N=C(N)c1c(Nc2ccc(Oc3cc(Cl)ccc3Cl)c(F)c2)s[nH]c1=O |w:4.3| Show InChI InChI=1S/C19H17Cl2FN4O3S/c1-9(8-27)24-17(23)16-18(28)26-30-19(16)25-11-3-5-14(13(22)7-11)29-15-6-10(20)2-4-12(15)21/h2-7,9,25,27H,8H2,1H3,(H2,23,24)(H,26,28) | PDB
MMDB
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 | 26 | n/a | n/a | n/a | n/a | n/a | n/a |
Valeant Pharmaceuticals Research & Development
Curated by ChEMBL
| Assay Description
Inhibition of MEK-1 activity |
Bioorg Med Chem Lett 16: 5561-6 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.048
BindingDB Entry DOI: 10.7270/Q2J38S5D |
More data for this
Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 1
(Homo sapiens (Human)) | BDBM50194056
(5-3-chloro-4-2,3-dichlorophenoxy)phenylamino)-3-hy...)Show SMILES CC(CO)N=C(N)c1c(Nc2ccc(Oc3cccc(Cl)c3Cl)c(Cl)c2)s[nH]c1=O |w:4.3| Show InChI InChI=1S/C19H17Cl3N4O3S/c1-9(8-27)24-17(23)15-18(28)26-30-19(15)25-10-5-6-13(12(21)7-10)29-14-4-2-3-11(20)16(14)22/h2-7,9,25,27H,8H2,1H3,(H2,23,24)(H,26,28) | PDB
MMDB
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 | 27 | n/a | n/a | n/a | n/a | n/a | n/a |
Valeant Pharmaceuticals Research & Development
Curated by ChEMBL
| Assay Description
Inhibition of MEK-1 activity |
Bioorg Med Chem Lett 16: 5561-6 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.048
BindingDB Entry DOI: 10.7270/Q2J38S5D |
More data for this
Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 1
(Homo sapiens (Human)) | BDBM50194039
(5-4-2-chloro-3,5-difluorophenoxy)-3-fluorophenylam...)Show SMILES CC(CO)N=C(N)c1c(Nc2ccc(Oc3cc(F)cc(F)c3Cl)c(F)c2)s[nH]c1=O |w:4.3| Show InChI InChI=1S/C19H16ClF3N4O3S/c1-8(7-28)25-17(24)15-18(29)27-31-19(15)26-10-2-3-13(11(22)6-10)30-14-5-9(21)4-12(23)16(14)20/h2-6,8,26,28H,7H2,1H3,(H2,24,25)(H,27,29) | PDB
MMDB
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 | 27 | n/a | n/a | n/a | n/a | n/a | n/a |
Valeant Pharmaceuticals Research & Development
Curated by ChEMBL
| Assay Description
Inhibition of MEK-1 activity |
Bioorg Med Chem Lett 16: 5561-6 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.048
BindingDB Entry DOI: 10.7270/Q2J38S5D |
More data for this
Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 1
(Homo sapiens (Human)) | BDBM50194041
(5-4-2,5-dichlorophenoxy)phenylamino)-3-hydroxy-N-2...)Show SMILES CC(O)CN=C(N)c1c(Nc2ccc(Oc3cc(Cl)ccc3Cl)cc2)s[nH]c1=O |w:4.3| Show InChI InChI=1S/C19H18Cl2N4O3S/c1-10(26)9-23-17(22)16-18(27)25-29-19(16)24-12-3-5-13(6-4-12)28-15-8-11(20)2-7-14(15)21/h2-8,10,24,26H,9H2,1H3,(H2,22,23)(H,25,27) | PDB
MMDB
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 | 28 | n/a | n/a | n/a | n/a | n/a | n/a |
Valeant Pharmaceuticals Research & Development
Curated by ChEMBL
| Assay Description
Inhibition of MEK-1 activity |
Bioorg Med Chem Lett 16: 5561-6 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.048
BindingDB Entry DOI: 10.7270/Q2J38S5D |
More data for this
Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 1
(Homo sapiens (Human)) | BDBM50194061
(5-4-2,5-dichlorophenoxy)phenylamino)-3-hydroxy-N-1...)Show SMILES CC(CO)N=C(N)c1c(Nc2ccc(Oc3cc(Cl)ccc3Cl)cc2)s[nH]c1=O |w:4.3| Show InChI InChI=1S/C19H18Cl2N4O3S/c1-10(9-26)23-17(22)16-18(27)25-29-19(16)24-12-3-5-13(6-4-12)28-15-8-11(20)2-7-14(15)21/h2-8,10,24,26H,9H2,1H3,(H2,22,23)(H,25,27) | PDB
MMDB
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 | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
Valeant Pharmaceuticals Research & Development
Curated by ChEMBL
| Assay Description
Inhibition of MEK-1 activity |
Bioorg Med Chem Lett 16: 5561-6 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.048
BindingDB Entry DOI: 10.7270/Q2J38S5D |
More data for this
Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 1
(Homo sapiens (Human)) | BDBM50194036
(5-3-chloro-4-2-chloro-5-fluorophenoxy)phenylamino)...)Show SMILES CC(CO)N=C(N)c1c(Nc2ccc(Oc3cc(F)ccc3Cl)c(Cl)c2)s[nH]c1=O |w:4.3| Show InChI InChI=1S/C19H17Cl2FN4O3S/c1-9(8-27)24-17(23)16-18(28)26-30-19(16)25-11-3-5-14(13(21)7-11)29-15-6-10(22)2-4-12(15)20/h2-7,9,25,27H,8H2,1H3,(H2,23,24)(H,26,28) | 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 | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
Valeant Pharmaceuticals Research & Development
Curated by ChEMBL
| Assay Description
Inhibition of MEK-1 activity |
Bioorg Med Chem Lett 16: 5561-6 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.048
BindingDB Entry DOI: 10.7270/Q2J38S5D |
More data for this
Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 1
(Homo sapiens (Human)) | BDBM50194051
(5-4-2,5-dichlorophenoxy)phenylamino)-3-hydroxy-N-m...)Show SMILES NC(=NN1CCOCC1)c1c(Nc2ccc(Oc3cc(Cl)ccc3Cl)cc2)s[nH]c1=O |w:2.2| Show InChI InChI=1S/C20H19Cl2N5O3S/c21-12-1-6-15(22)16(11-12)30-14-4-2-13(3-5-14)24-20-17(19(28)26-31-20)18(23)25-27-7-9-29-10-8-27/h1-6,11,24H,7-10H2,(H2,23,25)(H,26,28) | PDB
MMDB
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 | 32 | n/a | n/a | n/a | n/a | n/a | n/a |
Valeant Pharmaceuticals Research & Development
Curated by ChEMBL
| Assay Description
Inhibition of MEK-1 activity |
Bioorg Med Chem Lett 16: 5561-6 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.048
BindingDB Entry DOI: 10.7270/Q2J38S5D |
More data for this
Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 1
(Homo sapiens (Human)) | BDBM50194024
(3-hydroxy-N-1-hydroxypropan-2-yl)-5-4-phenoxypheny...)Show SMILES CC(CO)N=C(N)c1c(Nc2ccc(Oc3ccccc3)cc2)s[nH]c1=O |w:4.3| Show InChI InChI=1S/C19H20N4O3S/c1-12(11-24)21-17(20)16-18(25)23-27-19(16)22-13-7-9-15(10-8-13)26-14-5-3-2-4-6-14/h2-10,12,22,24H,11H2,1H3,(H2,20,21)(H,23,25) | PDB
MMDB
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 | 33 | n/a | n/a | n/a | n/a | n/a | n/a |
Valeant Pharmaceuticals Research & Development
Curated by ChEMBL
| Assay Description
Inhibition of MEK-1 activity |
Bioorg Med Chem Lett 16: 5561-6 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.048
BindingDB Entry DOI: 10.7270/Q2J38S5D |
More data for this
Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 1
(Homo sapiens (Human)) | BDBM50194023
(5-4-2,5-dichlorophenoxy)phenylamino)-3-hydroxy-N-t...)Show SMILES NC(=NCC1CCCO1)c1c(Nc2ccc(Oc3cc(Cl)ccc3Cl)cc2)s[nH]c1=O |w:2.2| Show InChI InChI=1S/C21H20Cl2N4O3S/c22-12-3-8-16(23)17(10-12)30-14-6-4-13(5-7-14)26-21-18(20(28)27-31-21)19(24)25-11-15-2-1-9-29-15/h3-8,10,15,26H,1-2,9,11H2,(H2,24,25)(H,27,28) | PDB
MMDB
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 | 34 | n/a | n/a | n/a | n/a | n/a | n/a |
Valeant Pharmaceuticals Research & Development
Curated by ChEMBL
| Assay Description
Inhibition of MEK-1 activity |
Bioorg Med Chem Lett 16: 5561-6 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.048
BindingDB Entry DOI: 10.7270/Q2J38S5D |
More data for this
Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 1
(Homo sapiens (Human)) | BDBM50194031
(5-4-2,5-dichlorophenoxy)phenylamino)-3-hydroxy-N-4...)Show SMILES CN1CCN(CC1)N=C(N)c1c(Nc2ccc(Oc3cc(Cl)ccc3Cl)cc2)s[nH]c1=O |w:7.7| Show InChI InChI=1S/C21H22Cl2N6O2S/c1-28-8-10-29(11-9-28)26-19(24)18-20(30)27-32-21(18)25-14-3-5-15(6-4-14)31-17-12-13(22)2-7-16(17)23/h2-7,12,25H,8-11H2,1H3,(H2,24,26)(H,27,30) | PDB
MMDB
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 | 34 | n/a | n/a | n/a | n/a | n/a | n/a |
Valeant Pharmaceuticals Research & Development
Curated by ChEMBL
| Assay Description
Inhibition of MEK-1 activity |
Bioorg Med Chem Lett 16: 5561-6 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.048
BindingDB Entry DOI: 10.7270/Q2J38S5D |
More data for this
Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 1
(Homo sapiens (Human)) | BDBM50194026
(5-4-2,5-dichlorophenoxy)phenylamino)-N-3,4-dihydro...)Show SMILES NC(=NCCC(O)CO)c1c(Nc2ccc(Oc3cc(Cl)ccc3Cl)cc2)s[nH]c1=O |w:2.2| Show InChI InChI=1S/C20H20Cl2N4O4S/c21-11-1-6-15(22)16(9-11)30-14-4-2-12(3-5-14)25-20-17(19(29)26-31-20)18(23)24-8-7-13(28)10-27/h1-6,9,13,25,27-28H,7-8,10H2,(H2,23,24)(H,26,29) | PDB
MMDB
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 | 34 | n/a | n/a | n/a | n/a | n/a | n/a |
Valeant Pharmaceuticals Research & Development
Curated by ChEMBL
| Assay Description
Inhibition of MEK-1 activity |
Bioorg Med Chem Lett 16: 5561-6 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.048
BindingDB Entry DOI: 10.7270/Q2J38S5D |
More data for this
Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 1
(Homo sapiens (Human)) | BDBM50194045
(5-4-2,5-dichlorophenoxy)phenylamino)-N-1,3-dihydro...)Show SMILES NC(=NC(CO)CO)c1c(Nc2ccc(Oc3cc(Cl)ccc3Cl)cc2)s[nH]c1=O |w:2.2| Show InChI InChI=1S/C19H18Cl2N4O4S/c20-10-1-6-14(21)15(7-10)29-13-4-2-11(3-5-13)24-19-16(18(28)25-30-19)17(22)23-12(8-26)9-27/h1-7,12,24,26-27H,8-9H2,(H2,22,23)(H,25,28) | 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 | 35 | n/a | n/a | n/a | n/a | n/a | n/a |
Valeant Pharmaceuticals Research & Development
Curated by ChEMBL
| Assay Description
Inhibition of MEK-1 activity |
Bioorg Med Chem Lett 16: 5561-6 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.048
BindingDB Entry DOI: 10.7270/Q2J38S5D |
More data for this
Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 1
(Homo sapiens (Human)) | BDBM50194065
(5-4-2-chloro-3,5-difluorophenoxy)phenylamino)-3-hy...)Show SMILES CC(CO)N=C(N)c1c(Nc2ccc(Oc3cc(F)cc(F)c3Cl)cc2)s[nH]c1=O |w:4.3| Show InChI InChI=1S/C19H17ClF2N4O3S/c1-9(8-27)24-17(23)15-18(28)26-30-19(15)25-11-2-4-12(5-3-11)29-14-7-10(21)6-13(22)16(14)20/h2-7,9,25,27H,8H2,1H3,(H2,23,24)(H,26,28) | PDB
MMDB
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 | 37 | n/a | n/a | n/a | n/a | n/a | n/a |
Valeant Pharmaceuticals Research & Development
Curated by ChEMBL
| Assay Description
Inhibition of MEK-1 activity |
Bioorg Med Chem Lett 16: 5561-6 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.048
BindingDB Entry DOI: 10.7270/Q2J38S5D |
More data for this
Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 1
(Homo sapiens (Human)) | BDBM50187848
(5-(2,3-dichlorophenylamino)-3-hydroxy-N-(1-hydroxy...)Show InChI InChI=1S/C13H14Cl2N4O2S/c1-6(5-20)17-11(16)9-12(21)19-22-13(9)18-8-4-2-3-7(14)10(8)15/h2-4,6,18,20H,5H2,1H3,(H2,16,17)(H,19,21) | PDB
MMDB
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 | 38 | n/a | n/a | n/a | n/a | n/a | n/a |
Valeant Pharmaceuticals Research & Development
Curated by ChEMBL
| Assay Description
Inhibition of MEK-1 activity |
Bioorg Med Chem Lett 16: 5561-6 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.048
BindingDB Entry DOI: 10.7270/Q2J38S5D |
More data for this
Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 1
(Homo sapiens (Human)) | BDBM50194034
(5-4-2,5-dichlorophenoxy)phenylamino)-3-hydroxy-N-2...)Show SMILES NC(=NCCN1CCOCC1)c1c(Nc2ccc(Oc3cc(Cl)ccc3Cl)cc2)s[nH]c1=O |w:2.2| Show InChI InChI=1S/C22H23Cl2N5O3S/c23-14-1-6-17(24)18(13-14)32-16-4-2-15(3-5-16)27-22-19(21(30)28-33-22)20(25)26-7-8-29-9-11-31-12-10-29/h1-6,13,27H,7-12H2,(H2,25,26)(H,28,30) | PDB
MMDB
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 | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
Valeant Pharmaceuticals Research & Development
Curated by ChEMBL
| Assay Description
Inhibition of MEK-1 activity |
Bioorg Med Chem Lett 16: 5561-6 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.048
BindingDB Entry DOI: 10.7270/Q2J38S5D |
More data for this
Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 1
(Homo sapiens (Human)) | BDBM50194046
(5-4-2,5-dichlorophenoxy)phenylamino)-3-hydroxy-N-1...)Show SMILES CCC(CO)N=C(N)c1c(Nc2ccc(Oc3cc(Cl)ccc3Cl)cc2)s[nH]c1=O |w:5.4| Show InChI InChI=1S/C20H20Cl2N4O3S/c1-2-12(10-27)24-18(23)17-19(28)26-30-20(17)25-13-4-6-14(7-5-13)29-16-9-11(21)3-8-15(16)22/h3-9,12,25,27H,2,10H2,1H3,(H2,23,24)(H,26,28) | PDB
MMDB
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 | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
Valeant Pharmaceuticals Research & Development
Curated by ChEMBL
| Assay Description
Inhibition of MEK-1 activity |
Bioorg Med Chem Lett 16: 5561-6 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.048
BindingDB Entry DOI: 10.7270/Q2J38S5D |
More data for this
Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 1
(Homo sapiens (Human)) | BDBM50187817
(5-(2-chloro-4-iodophenylamino)-3-hydroxy-N-isoprop...)Show InChI InChI=1S/C13H14ClIN4OS/c1-6(2)17-11(16)10-12(20)19-21-13(10)18-9-4-3-7(15)5-8(9)14/h3-6,18H,1-2H3,(H2,16,17)(H,19,20) | PDB
MMDB
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 | 42 | n/a | n/a | n/a | n/a | n/a | n/a |
Valeant Pharmaceuticals Research & Development
Curated by ChEMBL
| Assay Description
Inhibition of MEK-1 activity |
Bioorg Med Chem Lett 16: 5561-6 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.048
BindingDB Entry DOI: 10.7270/Q2J38S5D |
More data for this
Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 1
(Homo sapiens (Human)) | BDBM50194063
(5-4-2,5-dichlorophenoxy)phenylamino)-3-hydroxy-N-2...)Show SMILES NC(=NCCN1CCNC(=O)C1)c1c(Nc2ccc(Oc3cc(Cl)ccc3Cl)cc2)s[nH]c1=O |w:2.2| Show InChI InChI=1S/C22H22Cl2N6O3S/c23-13-1-6-16(24)17(11-13)33-15-4-2-14(3-5-15)28-22-19(21(32)29-34-22)20(25)27-8-10-30-9-7-26-18(31)12-30/h1-6,11,28H,7-10,12H2,(H2,25,27)(H,26,31)(H,29,32) | PDB
MMDB
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 | 44 | n/a | n/a | n/a | n/a | n/a | n/a |
Valeant Pharmaceuticals Research & Development
Curated by ChEMBL
| Assay Description
Inhibition of MEK-1 activity |
Bioorg Med Chem Lett 16: 5561-6 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.048
BindingDB Entry DOI: 10.7270/Q2J38S5D |
More data for this
Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 1
(Homo sapiens (Human)) | BDBM50194016
(3-hydroxy-N-1-hydroxypropan-2-yl)-5-4-3-trifluorom...)Show SMILES CC(CO)N=C(N)c1c(Nc2ccc(Oc3cccc(c3)C(F)(F)F)cc2)s[nH]c1=O |w:4.3| Show InChI InChI=1S/C20H19F3N4O3S/c1-11(10-28)25-17(24)16-18(29)27-31-19(16)26-13-5-7-14(8-6-13)30-15-4-2-3-12(9-15)20(21,22)23/h2-9,11,26,28H,10H2,1H3,(H2,24,25)(H,27,29) | PDB
MMDB
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 | 44 | n/a | n/a | n/a | n/a | n/a | n/a |
Valeant Pharmaceuticals Research & Development
Curated by ChEMBL
| Assay Description
Inhibition of MEK-1 activity |
Bioorg Med Chem Lett 16: 5561-6 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.048
BindingDB Entry DOI: 10.7270/Q2J38S5D |
More data for this
Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 1
(Homo sapiens (Human)) | BDBM50194062
(3-hydroxy-N-1-hydroxypropan-2-yl)-5-4-phenylthio)p...)Show SMILES CC(CO)N=C(N)c1c(Nc2ccc(Sc3ccccc3)cc2)s[nH]c1=O |w:4.3| Show InChI InChI=1S/C19H20N4O2S2/c1-12(11-24)21-17(20)16-18(25)23-27-19(16)22-13-7-9-15(10-8-13)26-14-5-3-2-4-6-14/h2-10,12,22,24H,11H2,1H3,(H2,20,21)(H,23,25) | PDB
MMDB
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 | 45 | n/a | n/a | n/a | n/a | n/a | n/a |
Valeant Pharmaceuticals Research & Development
Curated by ChEMBL
| Assay Description
Inhibition of MEK-1 activity |
Bioorg Med Chem Lett 16: 5561-6 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.048
BindingDB Entry DOI: 10.7270/Q2J38S5D |
More data for this
Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 1
(Homo sapiens (Human)) | BDBM50194028
(5-4-2,5-dichlorophenoxy)phenylamino)-3-hydroxy-N-2...)Show SMILES NC(=NCCO)c1c(Nc2ccc(Oc3cc(Cl)ccc3Cl)cc2)s[nH]c1=O |w:2.2| Show InChI InChI=1S/C18H16Cl2N4O3S/c19-10-1-6-13(20)14(9-10)27-12-4-2-11(3-5-12)23-18-15(17(26)24-28-18)16(21)22-7-8-25/h1-6,9,23,25H,7-8H2,(H2,21,22)(H,24,26) | PDB
MMDB
Reactome pathway
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| n/a | n/a | 46 | n/a | n/a | n/a | n/a | n/a | n/a |
Valeant Pharmaceuticals Research & Development
Curated by ChEMBL
| Assay Description
Inhibition of MEK-1 activity |
Bioorg Med Chem Lett 16: 5561-6 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.048
BindingDB Entry DOI: 10.7270/Q2J38S5D |
More data for this
Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 1
(Homo sapiens (Human)) | BDBM50194055
(5-4-2,5-dichlorophenoxy)phenylamino)-N-2,3-dihydro...)Show SMILES NC(=NCC(O)CO)c1c(Nc2ccc(Oc3cc(Cl)ccc3Cl)cc2)s[nH]c1=O |w:2.2| Show InChI InChI=1S/C19H18Cl2N4O4S/c20-10-1-6-14(21)15(7-10)29-13-4-2-11(3-5-13)24-19-16(18(28)25-30-19)17(22)23-8-12(27)9-26/h1-7,12,24,26-27H,8-9H2,(H2,22,23)(H,25,28) | PDB
MMDB
Reactome pathway
KEGG
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PubMed
| n/a | n/a | 46 | n/a | n/a | n/a | n/a | n/a | n/a |
Valeant Pharmaceuticals Research & Development
Curated by ChEMBL
| Assay Description
Inhibition of MEK-1 activity |
Bioorg Med Chem Lett 16: 5561-6 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.048
BindingDB Entry DOI: 10.7270/Q2J38S5D |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase pim-1
(Homo sapiens (Human)) | BDBM26673
(6-(5-bromo-2-hydroxyphenyl)-2-oxo-4-phenyl-1,2-dih...)Show SMILES Oc1ccc(Br)cc1-c1cc(-c2ccccc2)c(C#N)c(=O)[nH]1 Show InChI InChI=1S/C18H11BrN2O2/c19-12-6-7-17(22)14(8-12)16-9-13(11-4-2-1-3-5-11)15(10-20)18(23)21-16/h1-9,22H,(H,21,23) | PDB
MMDB
KEGG
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CHEMBL
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MCE
MMDB
PC cid
PC sid
PDB
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Similars
| Article
PubMed
| n/a | n/a | 50 | n/a | n/a | n/a | n/a | 7.5 | 23 |
Valeant Pharmaceuticals Research and Development
| Assay Description
PIM-1 kinase activity was evaluated using calf thymus histones as the substrate in a 96-well filter plate format. After incubation, the plate was was... |
Bioorg Med Chem Lett 17: 1679-83 (2007)
Article DOI: 10.1016/j.bmcl.2006.12.086
BindingDB Entry DOI: 10.7270/Q2CV4G2V |
More data for this
Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 1
(Homo sapiens (Human)) | BDBM50194059
(5-4-2-chloro-3-trifluoromethyl)phenoxy)-3-fluoroph...)Show SMILES CC(CO)N=C(N)c1c(Nc2ccc(Oc3cccc(c3Cl)C(F)(F)F)c(F)c2)s[nH]c1=O |w:4.3| Show InChI InChI=1S/C20H17ClF4N4O3S/c1-9(8-30)27-17(26)15-18(31)29-33-19(15)28-10-5-6-13(12(22)7-10)32-14-4-2-3-11(16(14)21)20(23,24)25/h2-7,9,28,30H,8H2,1H3,(H2,26,27)(H,29,31) | PDB
MMDB
Reactome pathway
KEGG
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PubMed
| n/a | n/a | 52 | n/a | n/a | n/a | n/a | n/a | n/a |
Valeant Pharmaceuticals Research & Development
Curated by ChEMBL
| Assay Description
Inhibition of MEK-1 activity |
Bioorg Med Chem Lett 16: 5561-6 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.048
BindingDB Entry DOI: 10.7270/Q2J38S5D |
More data for this
Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 1
(Homo sapiens (Human)) | BDBM50194019
(5-4-2,5-dichlorophenoxy)phenylamino)-N-2,3-dihydro...)Show SMILES NC(=NOCC(O)CO)c1c(Nc2ccc(Oc3cc(Cl)ccc3Cl)cc2)s[nH]c1=O |w:2.2| Show InChI InChI=1S/C19H18Cl2N4O5S/c20-10-1-6-14(21)15(7-10)30-13-4-2-11(3-5-13)23-19-16(18(28)25-31-19)17(22)24-29-9-12(27)8-26/h1-7,12,23,26-27H,8-9H2,(H2,22,24)(H,25,28) | PDB
MMDB
Reactome pathway
KEGG
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PC sid
UniChem
| Article
PubMed
| n/a | n/a | 56 | n/a | n/a | n/a | n/a | n/a | n/a |
Valeant Pharmaceuticals Research & Development
Curated by ChEMBL
| Assay Description
Inhibition of MEK-1 activity |
Bioorg Med Chem Lett 16: 5561-6 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.048
BindingDB Entry DOI: 10.7270/Q2J38S5D |
More data for this
Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 1
(Homo sapiens (Human)) | BDBM50194033
(5-4-2-chloro-4-fluorophenoxy)-2-methylphenylamino)...)Show SMILES CC(CO)N=C(N)c1c(Nc2ccc(Oc3ccc(F)cc3Cl)cc2C)s[nH]c1=O |w:4.3| Show InChI InChI=1S/C20H20ClFN4O3S/c1-10-7-13(29-16-6-3-12(22)8-14(16)21)4-5-15(10)25-20-17(19(28)26-30-20)18(23)24-11(2)9-27/h3-8,11,25,27H,9H2,1-2H3,(H2,23,24)(H,26,28) | PDB
MMDB
Reactome pathway
KEGG
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| Article
PubMed
| n/a | n/a | 57 | n/a | n/a | n/a | n/a | n/a | n/a |
Valeant Pharmaceuticals Research & Development
Curated by ChEMBL
| Assay Description
Inhibition of MEK-1 activity |
Bioorg Med Chem Lett 16: 5561-6 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.048
BindingDB Entry DOI: 10.7270/Q2J38S5D |
More data for this
Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 1
(Homo sapiens (Human)) | BDBM50194050
(5-4-benzylphenylamino)-3-hydroxy-N-1-hydroxypropan...)Show SMILES CC(CO)N=C(N)c1c(Nc2ccc(Cc3ccccc3)cc2)s[nH]c1=O |w:4.3| Show InChI InChI=1S/C20H22N4O2S/c1-13(12-25)22-18(21)17-19(26)24-27-20(17)23-16-9-7-15(8-10-16)11-14-5-3-2-4-6-14/h2-10,13,23,25H,11-12H2,1H3,(H2,21,22)(H,24,26) | PDB
MMDB
Reactome pathway
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PubMed
| n/a | n/a | 58 | n/a | n/a | n/a | n/a | n/a | n/a |
Valeant Pharmaceuticals Research & Development
Curated by ChEMBL
| Assay Description
Inhibition of MEK-1 activity |
Bioorg Med Chem Lett 16: 5561-6 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.048
BindingDB Entry DOI: 10.7270/Q2J38S5D |
More data for this
Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 1
(Homo sapiens (Human)) | BDBM50194025
(5-4-2,5-dichlorophenoxy)phenylamino)-3-hydroxy-N-2...)Show SMILES NC(=NCCN1CCNCC1)c1c(Nc2ccc(Oc3cc(Cl)ccc3Cl)cc2)s[nH]c1=O |w:2.2| Show InChI InChI=1S/C22H24Cl2N6O2S/c23-14-1-6-17(24)18(13-14)32-16-4-2-15(3-5-16)28-22-19(21(31)29-33-22)20(25)27-9-12-30-10-7-26-8-11-30/h1-6,13,26,28H,7-12H2,(H2,25,27)(H,29,31) | PDB
MMDB
Reactome pathway
KEGG
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PC sid
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| Article
PubMed
| n/a | n/a | 58 | n/a | n/a | n/a | n/a | n/a | n/a |
Valeant Pharmaceuticals Research & Development
Curated by ChEMBL
| Assay Description
Inhibition of MEK-1 activity |
Bioorg Med Chem Lett 16: 5561-6 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.048
BindingDB Entry DOI: 10.7270/Q2J38S5D |
More data for this
Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 1
(Homo sapiens (Human)) | BDBM50194058
(5-4-2-fluoro-3-trifluoromethyl)phenoxy)phenylamino...)Show SMILES CC(CO)N=C(N)c1c(Nc2ccc(Oc3cccc(c3F)C(F)(F)F)cc2)s[nH]c1=O |w:4.3| Show InChI InChI=1S/C20H18F4N4O3S/c1-10(9-29)26-17(25)15-18(30)28-32-19(15)27-11-5-7-12(8-6-11)31-14-4-2-3-13(16(14)21)20(22,23)24/h2-8,10,27,29H,9H2,1H3,(H2,25,26)(H,28,30) | PDB
MMDB
Reactome pathway
KEGG
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| Article
PubMed
| n/a | n/a | 58 | n/a | n/a | n/a | n/a | n/a | n/a |
Valeant Pharmaceuticals Research & Development
Curated by ChEMBL
| Assay Description
Inhibition of MEK-1 activity |
Bioorg Med Chem Lett 16: 5561-6 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.048
BindingDB Entry DOI: 10.7270/Q2J38S5D |
More data for this
Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 1
(Homo sapiens (Human)) | BDBM50194022
(5-4-2-fluoro-5-trifluoromethyl)phenoxy)phenylamino...)Show SMILES CC(CO)N=C(N)c1c(Nc2ccc(Oc3cc(ccc3F)C(F)(F)F)cc2)s[nH]c1=O |w:4.3| Show InChI InChI=1S/C20H18F4N4O3S/c1-10(9-29)26-17(25)16-18(30)28-32-19(16)27-12-3-5-13(6-4-12)31-15-8-11(20(22,23)24)2-7-14(15)21/h2-8,10,27,29H,9H2,1H3,(H2,25,26)(H,28,30) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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PC sid
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PubMed
| n/a | n/a | 60 | n/a | n/a | n/a | n/a | n/a | n/a |
Valeant Pharmaceuticals Research & Development
Curated by ChEMBL
| Assay Description
Inhibition of MEK-1 activity |
Bioorg Med Chem Lett 16: 5561-6 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.048
BindingDB Entry DOI: 10.7270/Q2J38S5D |
More data for this
Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 1
(Homo sapiens (Human)) | BDBM50187841
(3-hydroxy-5-(4-iodo-2-methylphenylamino)-N-isoprop...)Show InChI InChI=1S/C14H17IN4OS/c1-7(2)17-12(16)11-13(20)19-21-14(11)18-10-5-4-9(15)6-8(10)3/h4-7,18H,1-3H3,(H2,16,17)(H,19,20) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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PubMed
| n/a | n/a | 62 | n/a | n/a | n/a | n/a | n/a | n/a |
Valeant Pharmaceuticals Research & Development
Curated by ChEMBL
| Assay Description
Inhibition of MEK-1 activity |
Bioorg Med Chem Lett 16: 5561-6 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.048
BindingDB Entry DOI: 10.7270/Q2J38S5D |
More data for this
Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 1
(Homo sapiens (Human)) | BDBM50194057
(5-4-2,4-dichlorophenoxy)phenylamino)-3-hydroxy-N-1...)Show SMILES CC(CO)N=C(N)c1c(Nc2ccc(Oc3ccc(Cl)cc3Cl)cc2)s[nH]c1=O |w:4.3| Show InChI InChI=1S/C19H18Cl2N4O3S/c1-10(9-26)23-17(22)16-18(27)25-29-19(16)24-12-3-5-13(6-4-12)28-15-7-2-11(20)8-14(15)21/h2-8,10,24,26H,9H2,1H3,(H2,22,23)(H,25,27) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 64 | n/a | n/a | n/a | n/a | n/a | n/a |
Valeant Pharmaceuticals Research & Development
Curated by ChEMBL
| Assay Description
Inhibition of MEK-1 activity |
Bioorg Med Chem Lett 16: 5561-6 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.048
BindingDB Entry DOI: 10.7270/Q2J38S5D |
More data for this
Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 1
(Homo sapiens (Human)) | BDBM50194064
(5-3-chloro-4-2-chloro-3-trifluoromethyl)phenoxy)ph...)Show SMILES CC(CO)N=C(N)c1c(Nc2ccc(Oc3cccc(c3Cl)C(F)(F)F)c(Cl)c2)s[nH]c1=O |w:4.3| Show InChI InChI=1S/C20H17Cl2F3N4O3S/c1-9(8-30)27-17(26)15-18(31)29-33-19(15)28-10-5-6-13(12(21)7-10)32-14-4-2-3-11(16(14)22)20(23,24)25/h2-7,9,28,30H,8H2,1H3,(H2,26,27)(H,29,31) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
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antibodypedia
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Patents
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| Article
PubMed
| n/a | n/a | 67 | n/a | n/a | n/a | n/a | n/a | n/a |
Valeant Pharmaceuticals Research & Development
Curated by ChEMBL
| Assay Description
Inhibition of MEK-1 activity |
Bioorg Med Chem Lett 16: 5561-6 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.048
BindingDB Entry DOI: 10.7270/Q2J38S5D |
More data for this
Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 1
(Homo sapiens (Human)) | BDBM50194040
(5-4-2,3-dichlorophenoxy)phenylamino)-3-hydroxy-N-1...)Show SMILES CC(CO)N=C(N)c1c(Nc2ccc(Oc3cccc(Cl)c3Cl)cc2)s[nH]c1=O |w:4.3| Show InChI InChI=1S/C19H18Cl2N4O3S/c1-10(9-26)23-17(22)15-18(27)25-29-19(15)24-11-5-7-12(8-6-11)28-14-4-2-3-13(20)16(14)21/h2-8,10,24,26H,9H2,1H3,(H2,22,23)(H,25,27) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
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GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Patents
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| Article
PubMed
| n/a | n/a | 75 | n/a | n/a | n/a | n/a | n/a | n/a |
Valeant Pharmaceuticals Research & Development
Curated by ChEMBL
| Assay Description
Inhibition of MEK-1 activity |
Bioorg Med Chem Lett 16: 5561-6 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.048
BindingDB Entry DOI: 10.7270/Q2J38S5D |
More data for this
Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 1
(Homo sapiens (Human)) | BDBM50194021
(5-4-2-chloro-5-fluorophenoxy)phenylamino)-3-hydrox...)Show SMILES CC(CO)N=C(N)c1c(Nc2ccc(Oc3cc(F)ccc3Cl)cc2)s[nH]c1=O |w:4.3| Show InChI InChI=1S/C19H18ClFN4O3S/c1-10(9-26)23-17(22)16-18(27)25-29-19(16)24-12-3-5-13(6-4-12)28-15-8-11(21)2-7-14(15)20/h2-8,10,24,26H,9H2,1H3,(H2,22,23)(H,25,27) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Patents
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| Article
PubMed
| n/a | n/a | 80 | n/a | n/a | n/a | n/a | n/a | n/a |
Valeant Pharmaceuticals Research & Development
Curated by ChEMBL
| Assay Description
Inhibition of MEK-1 activity |
Bioorg Med Chem Lett 16: 5561-6 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.048
BindingDB Entry DOI: 10.7270/Q2J38S5D |
More data for this
Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 1
(Homo sapiens (Human)) | BDBM50194037
(5-4-2-chloro-4-fluorophenoxy)phenylamino)-3-hydrox...)Show SMILES CC(CO)N=C(N)c1c(Nc2ccc(Oc3ccc(F)cc3Cl)cc2)s[nH]c1=O |w:4.3| Show InChI InChI=1S/C19H18ClFN4O3S/c1-10(9-26)23-17(22)16-18(27)25-29-19(16)24-12-3-5-13(6-4-12)28-15-7-2-11(21)8-14(15)20/h2-8,10,24,26H,9H2,1H3,(H2,22,23)(H,25,27) | PDB
MMDB
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 | 85 | n/a | n/a | n/a | n/a | n/a | n/a |
Valeant Pharmaceuticals Research & Development
Curated by ChEMBL
| Assay Description
Inhibition of MEK-1 activity |
Bioorg Med Chem Lett 16: 5561-6 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.048
BindingDB Entry DOI: 10.7270/Q2J38S5D |
More data for this
Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 1
(Homo sapiens (Human)) | BDBM50194027
(5-3-chloro-4-2-chloro-4-fluorophenoxy)phenylamino)...)Show SMILES CC(CO)N=C(N)c1c(Nc2ccc(Oc3ccc(F)cc3Cl)c(Cl)c2)s[nH]c1=O |w:4.3| Show InChI InChI=1S/C19H17Cl2FN4O3S/c1-9(8-27)24-17(23)16-18(28)26-30-19(16)25-11-3-5-15(13(21)7-11)29-14-4-2-10(22)6-12(14)20/h2-7,9,25,27H,8H2,1H3,(H2,23,24)(H,26,28) | PDB
MMDB
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 | 107 | n/a | n/a | n/a | n/a | n/a | n/a |
Valeant Pharmaceuticals Research & Development
Curated by ChEMBL
| Assay Description
Inhibition of MEK-1 activity |
Bioorg Med Chem Lett 16: 5561-6 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.048
BindingDB Entry DOI: 10.7270/Q2J38S5D |
More data for this
Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 1
(Homo sapiens (Human)) | BDBM50194038
(5-4-2-chloro-3-trifluoromethyl)phenoxy)phenylamino...)Show SMILES CC(CO)N=C(N)c1c(Nc2ccc(Oc3cccc(c3Cl)C(F)(F)F)cc2)s[nH]c1=O |w:4.3| Show InChI InChI=1S/C20H18ClF3N4O3S/c1-10(9-29)26-17(25)15-18(30)28-32-19(15)27-11-5-7-12(8-6-11)31-14-4-2-3-13(16(14)21)20(22,23)24/h2-8,10,27,29H,9H2,1H3,(H2,25,26)(H,28,30) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 120 | n/a | n/a | n/a | n/a | n/a | n/a |
Valeant Pharmaceuticals Research & Development
Curated by ChEMBL
| Assay Description
Inhibition of MEK-1 activity |
Bioorg Med Chem Lett 16: 5561-6 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.048
BindingDB Entry DOI: 10.7270/Q2J38S5D |
More data for this
Ligand-Target Pair | |
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