Found 9 hits with Last Name = 'hart' and Initial = 'bp' 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 |
|---|
Dihydrofolate reductase
(Homo sapiens (Human)) | BDBM50049156
((2R,4R)-2-{4-[(2,4-Diamino-pteridin-6-ylmethyl)-me...)Show SMILES CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)N[C@H](C[C@@H](F)C(O)=O)C(O)=O Show InChI InChI=1S/C20H21FN8O5/c1-29(8-10-7-24-16-14(25-10)15(22)27-20(23)28-16)11-4-2-9(3-5-11)17(30)26-13(19(33)34)6-12(21)18(31)32/h2-5,7,12-13H,6,8H2,1H3,(H,26,30)(H,31,32)(H,33,34)(H4,22,23,24,27,28)/t12-,13-/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 | 0.840 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan
Curated by ChEMBL
| Assay Description
Inhibitory activity against Dihydrofolate reductase (DHFR) isolated from CCRF-CEM human leukemia cells in experiment 1 |
J Med Chem 39: 56-65 (1996)
Article DOI: 10.1021/jm950515e
BindingDB Entry DOI: 10.7270/Q2Q81DR3 |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Homo sapiens (Human)) | BDBM18050
(2-[(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)a...)Show SMILES CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O |r| Show InChI InChI=1S/C20H22N8O5/c1-28(9-11-8-23-17-15(24-11)16(21)26-20(22)27-17)12-4-2-10(3-5-12)18(31)25-13(19(32)33)6-7-14(29)30/h2-5,8,13H,6-7,9H2,1H3,(H,25,31)(H,29,30)(H,32,33)(H4,21,22,23,26,27)/t13-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| DrugBank
MMDB
PDB
Article
PubMed
| n/a | n/a | 1.18 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan
Curated by ChEMBL
| Assay Description
Inhibitory activity against Dihydrofolate reductase (DHFR) isolated from CCRF-CEM human leukemia cells in experiment 1 |
J Med Chem 39: 56-65 (1996)
Article DOI: 10.1021/jm950515e
BindingDB Entry DOI: 10.7270/Q2Q81DR3 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Dihydrofolate reductase
(Homo sapiens (Human)) | BDBM50049154
(2-{4-[(2,4-Diamino-pteridin-6-ylmethyl)-methyl-ami...)Show SMILES CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)NC(C(O)=O)C(F)(F)CC(O)=O Show InChI InChI=1S/C20H20F2N8O5/c1-30(8-10-7-25-16-13(26-10)15(23)28-19(24)29-16)11-4-2-9(3-5-11)17(33)27-14(18(34)35)20(21,22)6-12(31)32/h2-5,7,14H,6,8H2,1H3,(H,27,33)(H,31,32)(H,34,35)(H4,23,24,25,28,29) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.30 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan
Curated by ChEMBL
| Assay Description
Inhibitory activity against Dihydrofolate reductase (DHFR) isolated from CCRF-CEM human leukemia cells in experiment 2 |
J Med Chem 39: 56-65 (1996)
Article DOI: 10.1021/jm950515e
BindingDB Entry DOI: 10.7270/Q2Q81DR3 |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Homo sapiens (Human)) | BDBM18050
(2-[(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)a...)Show SMILES CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O |r| Show InChI InChI=1S/C20H22N8O5/c1-28(9-11-8-23-17-15(24-11)16(21)26-20(22)27-17)12-4-2-10(3-5-12)18(31)25-13(19(32)33)6-7-14(29)30/h2-5,8,13H,6-7,9H2,1H3,(H,25,31)(H,29,30)(H,32,33)(H4,21,22,23,26,27)/t13-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| DrugBank
MMDB
PDB
Article
PubMed
| n/a | n/a | 1.40 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan
Curated by ChEMBL
| Assay Description
Inhibitory activity against Dihydrofolate reductase (DHFR) isolated from CCRF-CEM human leukemia cells in experiment 2 |
J Med Chem 39: 56-65 (1996)
Article DOI: 10.1021/jm950515e
BindingDB Entry DOI: 10.7270/Q2Q81DR3 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Dihydrofolate reductase
(Homo sapiens (Human)) | BDBM18050
(2-[(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)a...)Show SMILES CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O |r| Show InChI InChI=1S/C20H22N8O5/c1-28(9-11-8-23-17-15(24-11)16(21)26-20(22)27-17)12-4-2-10(3-5-12)18(31)25-13(19(32)33)6-7-14(29)30/h2-5,8,13H,6-7,9H2,1H3,(H,25,31)(H,29,30)(H,32,33)(H4,21,22,23,26,27)/t13-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| DrugBank
MMDB
PDB
Article
PubMed
| n/a | n/a | 1.40 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan
Curated by ChEMBL
| Assay Description
Inhibitory activity against Dihydrofolate reductase (DHFR) isolated from CCRF-CEM human leukemia cells in experiment 2 |
J Med Chem 39: 56-65 (1996)
Article DOI: 10.1021/jm950515e
BindingDB Entry DOI: 10.7270/Q2Q81DR3 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Dihydrofolate reductase
(Homo sapiens (Human)) | BDBM50049155
(2-{4-[(2,4-Diamino-pteridin-6-ylmethyl)-methyl-ami...)Show SMILES CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)NC(CC(F)C(O)=O)C(O)=O Show InChI InChI=1S/C20H21FN8O5/c1-29(8-10-7-24-16-14(25-10)15(22)27-20(23)28-16)11-4-2-9(3-5-11)17(30)26-13(19(33)34)6-12(21)18(31)32/h2-5,7,12-13H,6,8H2,1H3,(H,26,30)(H,31,32)(H,33,34)(H4,22,23,24,27,28) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.40 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan
Curated by ChEMBL
| Assay Description
Inhibitory activity against Dihydrofolate reductase (DHFR) isolated from CCRF-CEM human leukemia cells in experiment 1 |
J Med Chem 39: 56-65 (1996)
Article DOI: 10.1021/jm950515e
BindingDB Entry DOI: 10.7270/Q2Q81DR3 |
More data for this
Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 1
(Homo sapiens (Human)) | BDBM50209764
(CHEMBL3884776)Show SMILES O[C@H]1COc2cc(F)c(F)c(Nc3ccc(I)cc3F)c2NS(=O)(=O)C2(CC2)C[C@H]1O |r| Show InChI InChI=1S/C19H18F3IN2O5S/c20-10-5-9(23)1-2-12(10)24-18-16(22)11(21)6-15-17(18)25-31(28,29)19(3-4-19)7-13(26)14(27)8-30-15/h1-2,5-6,13-14,24-27H,3-4,7-8H2/t13-,14+/m1/s1 | 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 | 21 | n/a | n/a | n/a | n/a | n/a | n/a |
Columbia University
Curated by ChEMBL
| Assay Description
Inhibition of full length human GST-tagged MEK1 using ERK1/ERK2 peptide substrate in presence of ATP by ADP-Glo chemiluminescence assay |
Bioorg Med Chem 25: 1004-1013 (2017)
Article DOI: 10.1016/j.bmc.2016.12.014
BindingDB Entry DOI: 10.7270/Q2TH8PPH |
More data for this
Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 1/2
(Homo sapiens (Human)) | BDBM50209763
(CHEMBL3883792)Show SMILES OC1COc2cc(F)c(F)c(Nc3ccc(I)cc3F)c2NS(=O)(=O)C2(CC2)CC1O Show InChI InChI=1S/C19H18F3IN2O5S/c20-10-5-9(23)1-2-12(10)24-18-16(22)11(21)6-15-17(18)25-31(28,29)19(3-4-19)7-13(26)14(27)8-30-15/h1-2,5-6,13-14,24-27H,3-4,7-8H2 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 400 | n/a | n/a | n/a | n/a | n/a | n/a |
Columbia University
Curated by ChEMBL
| Assay Description
Inhibition of MEK1/2 in human HT-29 cells assessed as reduction in cell proliferation after 72 hrs by CellTiter-Glo assay |
Bioorg Med Chem 25: 1004-1013 (2017)
Article DOI: 10.1016/j.bmc.2016.12.014
BindingDB Entry DOI: 10.7270/Q2TH8PPH |
More data for this
Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 1/2
(Homo sapiens (Human)) | BDBM50209763
(CHEMBL3883792)Show SMILES OC1COc2cc(F)c(F)c(Nc3ccc(I)cc3F)c2NS(=O)(=O)C2(CC2)CC1O Show InChI InChI=1S/C19H18F3IN2O5S/c20-10-5-9(23)1-2-12(10)24-18-16(22)11(21)6-15-17(18)25-31(28,29)19(3-4-19)7-13(26)14(27)8-30-15/h1-2,5-6,13-14,24-27H,3-4,7-8H2 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 400 | n/a | n/a | n/a | n/a | n/a | n/a |
Columbia University
Curated by ChEMBL
| Assay Description
Inhibition of MEK1/2 in human HT-29 cells assessed as reduction in cell proliferation after 72 hrs by CellTiter-Glo assay |
Bioorg Med Chem 25: 1004-1013 (2017)
Article DOI: 10.1016/j.bmc.2016.12.014
BindingDB Entry DOI: 10.7270/Q2TH8PPH |
More data for this
Ligand-Target Pair | |
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