Found 12 hits with Last Name = 'kliem' and Initial = 'hc' 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 |
|---|
Methylated-DNA--protein-cysteine methyltransferase
(Homo sapiens (Human)) | BDBM50106517
(6-(4-Bromo-thiophen-2-ylmethoxy)-9H-purin-2-ylamin...)Show InChI InChI=1S/C10H8BrN5OS/c11-5-1-6(18-3-5)2-17-9-7-8(14-4-13-7)15-10(12)16-9/h1,3-4H,2H2,(H3,12,13,14,15,16) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Patents
| PubMed
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
German Cancer Research Center
Curated by ChEMBL
| Assay Description
In vitro inhibition of MGMT using cell free extracts from HeLa S3 cells |
J Med Chem 44: 4050-61 (2001)
BindingDB Entry DOI: 10.7270/Q2SB452P |
More data for this
Ligand-Target Pair | |
Methylated-DNA--protein-cysteine methyltransferase
(Homo sapiens (Human)) | BDBM50106510
(2-{12-[2-Amino-6-(4-bromo-thiophen-2-ylmethoxy)-pu...)Show SMILES Nc1nc(OCc2cc(Br)cs2)c2ncn(CCCCCCCCCCCCO[C@H]3OC(CO)[C@@H](O)[C@@H](O)C3O)c2n1 Show InChI InChI=1S/C28H42BrN5O7S/c29-18-13-19(42-16-18)15-40-26-21-25(32-28(30)33-26)34(17-31-21)11-9-7-5-3-1-2-4-6-8-10-12-39-27-24(38)23(37)22(36)20(14-35)41-27/h13,16-17,20,22-24,27,35-38H,1-12,14-15H2,(H2,30,32,33)/t20?,22-,23-,24?,27+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
German Cancer Research Center
Curated by ChEMBL
| Assay Description
In vitro inhibition of MGMT using cell free extracts from HeLa S3 cells |
J Med Chem 44: 4050-61 (2001)
BindingDB Entry DOI: 10.7270/Q2SB452P |
More data for this
Ligand-Target Pair | |
Methylated-DNA--protein-cysteine methyltransferase
(Homo sapiens (Human)) | BDBM50106518
(2-{10-[2-Amino-6-(4-bromo-thiophen-2-ylmethoxy)-pu...)Show SMILES Nc1nc(OCc2cc(Br)cs2)c2ncn(CCCCCCCCCCO[C@H]3OC(CO)[C@@H](O)[C@@H](O)C3O)c2n1 Show InChI InChI=1S/C26H38BrN5O7S/c27-16-11-17(40-14-16)13-38-24-19-23(30-26(28)31-24)32(15-29-19)9-7-5-3-1-2-4-6-8-10-37-25-22(36)21(35)20(34)18(12-33)39-25/h11,14-15,18,20-22,25,33-36H,1-10,12-13H2,(H2,28,30,31)/t18?,20-,21-,22?,25+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
German Cancer Research Center
Curated by ChEMBL
| Assay Description
In vitro inhibition of MGMT using cell free extracts from HeLa S3 cells |
J Med Chem 44: 4050-61 (2001)
BindingDB Entry DOI: 10.7270/Q2SB452P |
More data for this
Ligand-Target Pair | |
Methylated-DNA--protein-cysteine methyltransferase
(Homo sapiens (Human)) | BDBM50106511
(2-{8-[2-Amino-6-(4-bromo-thiophen-2-ylmethoxy)-pur...)Show SMILES Nc1nc(OCc2cc(Br)cs2)c2ncn(CCCCCCCCO[C@H]3OC(CO)[C@@H](O)[C@@H](O)C3O)c2n1 Show InChI InChI=1S/C24H34BrN5O7S/c25-14-9-15(38-12-14)11-36-22-17-21(28-24(26)29-22)30(13-27-17)7-5-3-1-2-4-6-8-35-23-20(34)19(33)18(32)16(10-31)37-23/h9,12-13,16,18-20,23,31-34H,1-8,10-11H2,(H2,26,28,29)/t16?,18-,19-,20?,23+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 32 | n/a | n/a | n/a | n/a | n/a | n/a |
German Cancer Research Center
Curated by ChEMBL
| Assay Description
In vitro inhibition of MGMT using cell free extracts from HeLa S3 cells |
J Med Chem 44: 4050-61 (2001)
BindingDB Entry DOI: 10.7270/Q2SB452P |
More data for this
Ligand-Target Pair | |
Methylated-DNA--protein-cysteine methyltransferase
(Homo sapiens (Human)) | BDBM50106515
(7-Benzyloxy-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-y...)Show InChI InChI=1S/C11H10N6O/c12-11-13-9-8(15-17-16-9)10(14-11)18-6-7-4-2-1-3-5-7/h1-5H,6H2,(H3,12,13,14,15,16,17) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Patents
| PubMed
| n/a | n/a | 38 | n/a | n/a | n/a | n/a | n/a | n/a |
German Cancer Research Center
Curated by ChEMBL
| Assay Description
In vitro inhibition of MGMT using cell free extracts from HeLa S3 cells |
J Med Chem 44: 4050-61 (2001)
BindingDB Entry DOI: 10.7270/Q2SB452P |
More data for this
Ligand-Target Pair | |
Methylated-DNA--protein-cysteine methyltransferase
(Homo sapiens (Human)) | BDBM50106514
(2-{4-[2-Amino-6-(4-bromo-thiophen-2-ylmethoxy)-pur...)Show SMILES Nc1nc(OCc2cc(Br)cs2)c2ncn(CC#CCO[C@H]3OC(CO)[C@@H](O)[C@@H](O)C3O)c2n1 Show InChI InChI=1S/C20H22BrN5O7S/c21-10-5-11(34-8-10)7-32-18-13-17(24-20(22)25-18)26(9-23-13)3-1-2-4-31-19-16(30)15(29)14(28)12(6-27)33-19/h5,8-9,12,14-16,19,27-30H,3-4,6-7H2,(H2,22,24,25)/t12?,14-,15-,16?,19+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 250 | n/a | n/a | n/a | n/a | n/a | n/a |
German Cancer Research Center
Curated by ChEMBL
| Assay Description
In vitro inhibition of MGMT using cell free extracts from HeLa S3 cells |
J Med Chem 44: 4050-61 (2001)
BindingDB Entry DOI: 10.7270/Q2SB452P |
More data for this
Ligand-Target Pair | |
Methylated-DNA--protein-cysteine methyltransferase
(Homo sapiens (Human)) | BDBM50106512
(2-{6-[2-Amino-6-(4-bromo-thiophen-2-ylmethoxy)-pur...)Show SMILES Nc1nc(OCc2cc(Br)cs2)c2ncn(CCCCCCO[C@H]3OC(CO)[C@@H](O)[C@@H](O)C3O)c2n1 Show InChI InChI=1S/C22H30BrN5O7S/c23-12-7-13(36-10-12)9-34-20-15-19(26-22(24)27-20)28(11-25-15)5-3-1-2-4-6-33-21-18(32)17(31)16(30)14(8-29)35-21/h7,10-11,14,16-18,21,29-32H,1-6,8-9H2,(H2,24,26,27)/t14?,16-,17-,18?,21+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 450 | n/a | n/a | n/a | n/a | n/a | n/a |
German Cancer Research Center
Curated by ChEMBL
| Assay Description
In vitro inhibition of MGMT using cell free extracts from HeLa S3 cells |
J Med Chem 44: 4050-61 (2001)
BindingDB Entry DOI: 10.7270/Q2SB452P |
More data for this
Ligand-Target Pair | |
Methylated-DNA--protein-cysteine methyltransferase
(Homo sapiens (Human)) | BDBM50106513
(2-{4-[2-Amino-6-(4-bromo-thiophen-2-ylmethoxy)-pur...)Show SMILES Nc1nc(OCc2cc(Br)cs2)c2ncn(CCCCO[C@H]3OC(CO)[C@@H](O)[C@@H](O)C3O)c2n1 Show InChI InChI=1S/C20H26BrN5O7S/c21-10-5-11(34-8-10)7-32-18-13-17(24-20(22)25-18)26(9-23-13)3-1-2-4-31-19-16(30)15(29)14(28)12(6-27)33-19/h5,8-9,12,14-16,19,27-30H,1-4,6-7H2,(H2,22,24,25)/t12?,14-,15-,16?,19+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 450 | n/a | n/a | n/a | n/a | n/a | n/a |
German Cancer Research Center
Curated by ChEMBL
| Assay Description
In vitro inhibition of MGMT using cell free extracts from HeLa S3 cells |
J Med Chem 44: 4050-61 (2001)
BindingDB Entry DOI: 10.7270/Q2SB452P |
More data for this
Ligand-Target Pair | |
Methylated-DNA--protein-cysteine methyltransferase
(Homo sapiens (Human)) | BDBM5491
(6-(benzyloxy)-9H-purin-2-amine | CHEMBL407874 | O6...)Show InChI InChI=1S/C12H11N5O/c13-12-16-10-9(14-7-15-10)11(17-12)18-6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H3,13,14,15,16,17) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| MMDB
PDB
PubMed
| n/a | n/a | 620 | n/a | n/a | n/a | n/a | n/a | n/a |
German Cancer Research Center
Curated by ChEMBL
| Assay Description
In vitro inhibition of MGMT using cell free extracts from HeLa S3 cells |
J Med Chem 44: 4050-61 (2001)
BindingDB Entry DOI: 10.7270/Q2SB452P |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Methylated-DNA--protein-cysteine methyltransferase
(Homo sapiens (Human)) | BDBM50106509
(2-{2-[2-Amino-6-(4-bromo-thiophen-2-ylmethoxy)-pur...)Show SMILES Nc1nc(OCc2cc(Br)cs2)c2ncn(CCO[C@@H]3OC(CO)[C@H](O)[C@H](O)C3O)c2n1 Show InChI InChI=1S/C18H22BrN5O7S/c19-8-3-9(32-6-8)5-30-16-11-15(22-18(20)23-16)24(7-21-11)1-2-29-17-14(28)13(27)12(26)10(4-25)31-17/h3,6-7,10,12-14,17,25-28H,1-2,4-5H2,(H2,20,22,23)/t10?,12-,13-,14?,17+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 680 | n/a | n/a | n/a | n/a | n/a | n/a |
German Cancer Research Center
Curated by ChEMBL
| Assay Description
In vitro inhibition of MGMT using cell free extracts from HeLa S3 cells |
J Med Chem 44: 4050-61 (2001)
BindingDB Entry DOI: 10.7270/Q2SB452P |
More data for this
Ligand-Target Pair | |
Methylated-DNA--protein-cysteine methyltransferase
(Homo sapiens (Human)) | BDBM50106519
(2-[2-(5-Amino-7-benzyloxy-[1,2,3]triazolo[4,5-d]py...)Show SMILES Nc1nc(OCc2ccccc2)c2nnn(CCO[C@@H]3OC(CO)[C@H](O)[C@H](O)C3O)c2n1 Show InChI InChI=1S/C19H24N6O7/c20-19-21-16-12(17(22-19)31-9-10-4-2-1-3-5-10)23-24-25(16)6-7-30-18-15(29)14(28)13(27)11(8-26)32-18/h1-5,11,13-15,18,26-29H,6-9H2,(H2,20,21,22)/t11?,13-,14-,15?,18+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| n/a | n/a | 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
German Cancer Research Center
Curated by ChEMBL
| Assay Description
In vitro inhibition of MGMT using cell free extracts from HeLa S3 cells |
J Med Chem 44: 4050-61 (2001)
BindingDB Entry DOI: 10.7270/Q2SB452P |
More data for this
Ligand-Target Pair | |
Methylated-DNA--protein-cysteine methyltransferase
(Homo sapiens (Human)) | BDBM50106516
(2-[2-(2-Amino-6-benzyloxy-purin-9-yl)-ethoxy]-6-hy...)Show SMILES Nc1nc(OCc2ccccc2)c2ncn(CCO[C@@H]3OC(CO)[C@H](O)[C@H](O)C3O)c2n1 Show InChI InChI=1S/C20H25N5O7/c21-20-23-17-13(18(24-20)31-9-11-4-2-1-3-5-11)22-10-25(17)6-7-30-19-16(29)15(28)14(27)12(8-26)32-19/h1-5,10,12,14-16,19,26-29H,6-9H2,(H2,21,23,24)/t12?,14-,15-,16?,19+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 2.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
German Cancer Research Center
Curated by ChEMBL
| Assay Description
In vitro inhibition of MGMT using cell free extracts from HeLa S3 cells |
J Med Chem 44: 4050-61 (2001)
BindingDB Entry DOI: 10.7270/Q2SB452P |
More data for this
Ligand-Target Pair | |
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