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Compile Data Set for Download or QSAR

Found 20 hits with Last Name = 'bohn' and Initial = 'k'   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Protein-S-isoprenylcysteine O-methyltransferase


(Homo sapiens (Human))
BDBM50183409
PNG
(CHEMBL3822531)
Show SMILES [#6]-1-[#6]\[#6](-[#6]-[#6]-[#8]-1)=[#6](\c1cccs1)-c1ccc2ccccc2c1
Show InChI InChI=1S/C20H18OS/c1-2-5-17-14-18(8-7-15(17)4-1)20(19-6-3-13-22-19)16-9-11-21-12-10-16/h1-8,13-14H,9-12H2
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1.10E+3n/an/an/an/an/an/an/an/a



Icahn School of Medicine at Mount Sinai

Curated by ChEMBL


Assay Description
Competitive inhibition of human isoprenylcysteine carboxyl methyltransferase expressed in yeast His10myc3N-Icmt membranes using increasing AFC substr...


Medchemcomm 7: 1016-1021 (2016)


BindingDB Entry DOI: 10.7270/Q2C82C8P
More data for this
Ligand-Target Pair
Protein-S-isoprenylcysteine O-methyltransferase


(Homo sapiens (Human))
BDBM50183409
PNG
(CHEMBL3822531)
Show SMILES [#6]-1-[#6]\[#6](-[#6]-[#6]-[#8]-1)=[#6](\c1cccs1)-c1ccc2ccccc2c1
Show InChI InChI=1S/C20H18OS/c1-2-5-17-14-18(8-7-15(17)4-1)20(19-6-3-13-22-19)16-9-11-21-12-10-16/h1-8,13-14H,9-12H2
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2.90E+3n/an/an/an/an/an/an/an/a



Icahn School of Medicine at Mount Sinai

Curated by ChEMBL


Assay Description
Non-competitive inhibition of human isoprenylcysteine carboxyl methyltransferase expressed in yeast His10myc3N-Icmt membranes with increasing [14C]-S...


Medchemcomm 7: 1016-1021 (2016)


BindingDB Entry DOI: 10.7270/Q2C82C8P
More data for this
Ligand-Target Pair
Protein-S-isoprenylcysteine O-methyltransferase


(Homo sapiens (Human))
BDBM50384449
PNG
(CHEMBL2035530)
Show SMILES COC(=O)CCSC\C=C(/C)CCn1cc(CCc2ccc(cc2)-c2ccccc2)nn1
Show InChI InChI=1S/C26H31N3O2S/c1-21(15-18-32-19-16-26(30)31-2)14-17-29-20-25(27-28-29)13-10-22-8-11-24(12-9-22)23-6-4-3-5-7-23/h3-9,11-12,15,20H,10,13-14,16-19H2,1-2H3/b21-15+
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n/an/a 400n/an/an/an/an/an/a



Icahn School of Medicine at Mount Sinai

Curated by ChEMBL


Assay Description
Inhibition of human isoprenylcysteine carboxyl methyltransferase expressed in yeast His10myc3N-Icmt membranes using AFC substrate and [14C]-SAM and i...


Medchemcomm 7: 1016-1021 (2016)


BindingDB Entry DOI: 10.7270/Q2C82C8P
More data for this
Ligand-Target Pair
Protein-S-isoprenylcysteine O-methyltransferase


(Homo sapiens (Human))
BDBM50183409
PNG
(CHEMBL3822531)
Show SMILES [#6]-1-[#6]\[#6](-[#6]-[#6]-[#8]-1)=[#6](\c1cccs1)-c1ccc2ccccc2c1
Show InChI InChI=1S/C20H18OS/c1-2-5-17-14-18(8-7-15(17)4-1)20(19-6-3-13-22-19)16-9-11-21-12-10-16/h1-8,13-14H,9-12H2
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n/an/a 1.50E+3n/an/an/an/an/an/a



Icahn School of Medicine at Mount Sinai

Curated by ChEMBL


Assay Description
Inhibition of human isoprenylcysteine carboxyl methyltransferase expressed in yeast His10myc3N-Icmt membranes using AFC substrate and [14C]-SAM and i...


Medchemcomm 7: 1016-1021 (2016)


BindingDB Entry DOI: 10.7270/Q2C82C8P
More data for this
Ligand-Target Pair
Protein-S-isoprenylcysteine O-methyltransferase


(Homo sapiens (Human))
BDBM50183444
PNG
(CHEMBL3823651)
Show SMILES OC(C1CCOCC1)(c1cccs1)c1ccc2ccccc2c1
Show InChI InChI=1S/C20H20O2S/c21-20(19-6-3-13-23-19,17-9-11-22-12-10-17)18-8-7-15-4-1-2-5-16(15)14-18/h1-8,13-14,17,21H,9-12H2
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n/an/a 2.20E+3n/an/an/an/an/an/a



Icahn School of Medicine at Mount Sinai

Curated by ChEMBL


Assay Description
Inhibition of human isoprenylcysteine carboxyl methyltransferase expressed in yeast His10myc3N-Icmt membranes using AFC substrate and [14C]-SAM and i...


Medchemcomm 7: 1016-1021 (2016)


BindingDB Entry DOI: 10.7270/Q2C82C8P
More data for this
Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2


(Homo sapiens (Human))
BDBM50260355
PNG
(CHEMBL2063071)
Show SMILES Cc1cn([C@H]2C[C@H](N=[N+]=[N-])[C@@H](COC(=O)CCCCCCCCCCC(=O)OC[C@H]3O[C@H](C[C@@H]3N=[N+]=[N-])n3cc(C)c(=O)[nH]c3=O)O2)c(=O)[nH]c1=O |r|
Show InChI InChI=1S/C32H44N10O10/c1-19-15-41(31(47)35-29(19)45)25-13-21(37-39-33)23(51-25)17-49-27(43)11-9-7-5-3-4-6-8-10-12-28(44)50-18-24-22(38-40-34)14-26(52-24)42-16-20(2)30(46)36-32(42)48/h15-16,21-26H,3-14,17-18H2,1-2H3,(H,35,45,47)(H,36,46,48)/t21-,22-,23+,24+,25+,26+/m0/s1
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n/an/a 4.30E+3n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of human ABCG2 expressed in Sf9 cell membranes assessed as reduction in [125I]-IAAP binding incubated for 20 mins under UV light irradiati...


Bioorg Med Chem 25: 5128-5132 (2017)


Article DOI: 10.1016/j.bmc.2017.07.001
BindingDB Entry DOI: 10.7270/Q2DB84BZ
More data for this
Ligand-Target Pair
Protein-S-isoprenylcysteine O-methyltransferase


(Homo sapiens (Human))
BDBM50183445
PNG
(CHEMBL3822621)
Show SMILES [#8]-c1c(ccc2ccccc12)-[#6](\c1cccs1)=[#6]-1/[#6]-[#6]-[#8]-[#6]-[#6]-1
Show InChI InChI=1S/C20H18O2S/c21-20-16-5-2-1-4-14(16)7-8-17(20)19(18-6-3-13-23-18)15-9-11-22-12-10-15/h1-8,13,21H,9-12H2
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n/an/a 7.70E+3n/an/an/an/an/an/a



Icahn School of Medicine at Mount Sinai

Curated by ChEMBL


Assay Description
Inhibition of human isoprenylcysteine carboxyl methyltransferase expressed in yeast His10myc3N-Icmt membranes using AFC substrate and [14C]-SAM and i...


Medchemcomm 7: 1016-1021 (2016)


BindingDB Entry DOI: 10.7270/Q2C82C8P
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Homo sapiens (Human))
BDBM50260355
PNG
(CHEMBL2063071)
Show SMILES Cc1cn([C@H]2C[C@H](N=[N+]=[N-])[C@@H](COC(=O)CCCCCCCCCCC(=O)OC[C@H]3O[C@H](C[C@@H]3N=[N+]=[N-])n3cc(C)c(=O)[nH]c3=O)O2)c(=O)[nH]c1=O |r|
Show InChI InChI=1S/C32H44N10O10/c1-19-15-41(31(47)35-29(19)45)25-13-21(37-39-33)23(51-25)17-49-27(43)11-9-7-5-3-4-6-8-10-12-28(44)50-18-24-22(38-40-34)14-26(52-24)42-16-20(2)30(46)36-32(42)48/h15-16,21-26H,3-14,17-18H2,1-2H3,(H,35,45,47)(H,36,46,48)/t21-,22-,23+,24+,25+,26+/m0/s1
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n/an/a 9.30E+3n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of human MDR1 expressed in Sf9 cell membranes assessed as reduction in [125I]-IAAP binding incubated for 20 mins under UV light irradiatio...


Bioorg Med Chem 25: 5128-5132 (2017)


Article DOI: 10.1016/j.bmc.2017.07.001
BindingDB Entry DOI: 10.7270/Q2DB84BZ
More data for this
Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2


(Homo sapiens (Human))
BDBM50260355
PNG
(CHEMBL2063071)
Show SMILES Cc1cn([C@H]2C[C@H](N=[N+]=[N-])[C@@H](COC(=O)CCCCCCCCCCC(=O)OC[C@H]3O[C@H](C[C@@H]3N=[N+]=[N-])n3cc(C)c(=O)[nH]c3=O)O2)c(=O)[nH]c1=O |r|
Show InChI InChI=1S/C32H44N10O10/c1-19-15-41(31(47)35-29(19)45)25-13-21(37-39-33)23(51-25)17-49-27(43)11-9-7-5-3-4-6-8-10-12-28(44)50-18-24-22(38-40-34)14-26(52-24)42-16-20(2)30(46)36-32(42)48/h15-16,21-26H,3-14,17-18H2,1-2H3,(H,35,45,47)(H,36,46,48)/t21-,22-,23+,24+,25+,26+/m0/s1
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n/an/a 1.15E+4n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of human ABCG2 expressed in Sf9 cell membranes assessed as reduction in [125I]-IAAP binding incubated for 20 mins under UV light irradiati...


Bioorg Med Chem 25: 5128-5132 (2017)


Article DOI: 10.1016/j.bmc.2017.07.001
BindingDB Entry DOI: 10.7270/Q2DB84BZ
More data for this
Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2


(Homo sapiens (Human))
BDBM50260356
PNG
(CHEMBL2063072)
Show SMILES Cc1cn([C@H]2C[C@H](N=[N+]=[N-])[C@@H](COC(=O)CCCCCCCCCCCCC(=O)OC[C@H]3O[C@H](C[C@@H]3N=[N+]=[N-])n3cc(C)c(=O)[nH]c3=O)O2)c(=O)[nH]c1=O |r|
Show InChI InChI=1S/C34H48N10O10/c1-21-17-43(33(49)37-31(21)47)27-15-23(39-41-35)25(53-27)19-51-29(45)13-11-9-7-5-3-4-6-8-10-12-14-30(46)52-20-26-24(40-42-36)16-28(54-26)44-18-22(2)32(48)38-34(44)50/h17-18,23-28H,3-16,19-20H2,1-2H3,(H,37,47,49)(H,38,48,50)/t23-,24-,25+,26+,27+,28+/m0/s1
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n/an/a 1.33E+4n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of human ABCG2 expressed in Sf9 cell membranes assessed as reduction in [125I]-IAAP binding incubated for 20 mins under UV light irradiati...


Bioorg Med Chem 25: 5128-5132 (2017)


Article DOI: 10.1016/j.bmc.2017.07.001
BindingDB Entry DOI: 10.7270/Q2DB84BZ
More data for this
Ligand-Target Pair
Protein-S-isoprenylcysteine O-methyltransferase


(Homo sapiens (Human))
BDBM50183447
PNG
(CHEMBL3823076)
Show SMILES Oc1c(ccc2cccnc12)C(C1CCOCC1)c1cccs1
Show InChI InChI=1S/C19H19NO2S/c21-19-15(6-5-14-3-1-9-20-18(14)19)17(16-4-2-12-23-16)13-7-10-22-11-8-13/h1-6,9,12-13,17,21H,7-8,10-11H2
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n/an/a 1.40E+4n/an/an/an/an/an/a



Icahn School of Medicine at Mount Sinai

Curated by ChEMBL


Assay Description
Inhibition of human isoprenylcysteine carboxyl methyltransferase expressed in yeast His10myc3N-Icmt membranes using AFC substrate and [14C]-SAM and i...


Medchemcomm 7: 1016-1021 (2016)


BindingDB Entry DOI: 10.7270/Q2C82C8P
More data for this
Ligand-Target Pair
Protein-S-isoprenylcysteine O-methyltransferase


(Homo sapiens (Human))
BDBM50183446
PNG
(CHEMBL3822563)
Show SMILES Oc1c(ccc2ccccc12)C(C1CCOCC1)c1cccs1
Show InChI InChI=1S/C20H20O2S/c21-20-16-5-2-1-4-14(16)7-8-17(20)19(18-6-3-13-23-18)15-9-11-22-12-10-15/h1-8,13,15,19,21H,9-12H2
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n/an/a 1.80E+4n/an/an/an/an/an/a



Icahn School of Medicine at Mount Sinai

Curated by ChEMBL


Assay Description
Inhibition of human isoprenylcysteine carboxyl methyltransferase expressed in yeast His10myc3N-Icmt membranes using AFC substrate and [14C]-SAM and i...


Medchemcomm 7: 1016-1021 (2016)


BindingDB Entry DOI: 10.7270/Q2C82C8P
More data for this
Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2


(Homo sapiens (Human))
BDBM50260357
PNG
(CHEMBL2063070)
Show SMILES Cc1cn([C@H]2C[C@H](N=[N+]=[N-])[C@@H](COC(=O)CCCCCCCCC(=O)OC[C@H]3O[C@H](C[C@@H]3N=[N+]=[N-])n3cc(C)c(=O)[nH]c3=O)O2)c(=O)[nH]c1=O |r|
Show InChI InChI=1S/C30H40N10O10/c1-17-13-39(29(45)33-27(17)43)23-11-19(35-37-31)21(49-23)15-47-25(41)9-7-5-3-4-6-8-10-26(42)48-16-22-20(36-38-32)12-24(50-22)40-14-18(2)28(44)34-30(40)46/h13-14,19-24H,3-12,15-16H2,1-2H3,(H,33,43,45)(H,34,44,46)/t19-,20-,21+,22+,23+,24+/m0/s1
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n/an/a 2.82E+4n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of human ABCG2 expressed in Sf9 cell membranes assessed as reduction in [125I]-IAAP binding incubated for 20 mins under UV light irradiati...


Bioorg Med Chem 25: 5128-5132 (2017)


Article DOI: 10.1016/j.bmc.2017.07.001
BindingDB Entry DOI: 10.7270/Q2DB84BZ
More data for this
Ligand-Target Pair
Protein-S-isoprenylcysteine O-methyltransferase


(Homo sapiens (Human))
BDBM50183442
PNG
(CHEMBL3823998)
Show SMILES C(C1CCOCC1)c1ccc2ccccc2c1
Show InChI InChI=1S/C16H18O/c1-2-4-16-12-14(5-6-15(16)3-1)11-13-7-9-17-10-8-13/h1-6,12-13H,7-11H2
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n/an/a>5.00E+4n/an/an/an/an/an/a



Icahn School of Medicine at Mount Sinai

Curated by ChEMBL


Assay Description
Inhibition of human isoprenylcysteine carboxyl methyltransferase expressed in yeast His10myc3N-Icmt membranes using AFC substrate and [14C]-SAM and i...


Medchemcomm 7: 1016-1021 (2016)


BindingDB Entry DOI: 10.7270/Q2C82C8P
More data for this
Ligand-Target Pair
Protein-S-isoprenylcysteine O-methyltransferase


(Homo sapiens (Human))
BDBM50183441
PNG
(CHEMBL3823782)
Show SMILES O=C(C1CCOCC1)c1ccc2ccccc2c1
Show InChI InChI=1S/C16H16O2/c17-16(13-7-9-18-10-8-13)15-6-5-12-3-1-2-4-14(12)11-15/h1-6,11,13H,7-10H2
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Icahn School of Medicine at Mount Sinai

Curated by ChEMBL


Assay Description
Inhibition of human isoprenylcysteine carboxyl methyltransferase expressed in yeast His10myc3N-Icmt membranes using AFC substrate and [14C]-SAM and i...


Medchemcomm 7: 1016-1021 (2016)


BindingDB Entry DOI: 10.7270/Q2C82C8P
More data for this
Ligand-Target Pair
Protein-S-isoprenylcysteine O-methyltransferase


(Homo sapiens (Human))
BDBM50183440
PNG
(CHEMBL3823382)
Show SMILES OC(C1CCOCC1)(c1cccs1)c1ccccc1
Show InChI InChI=1S/C16H18O2S/c17-16(15-7-4-12-19-15,13-5-2-1-3-6-13)14-8-10-18-11-9-14/h1-7,12,14,17H,8-11H2
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Icahn School of Medicine at Mount Sinai

Curated by ChEMBL


Assay Description
Inhibition of human isoprenylcysteine carboxyl methyltransferase expressed in yeast His10myc3N-Icmt membranes using AFC substrate and [14C]-SAM and i...


Medchemcomm 7: 1016-1021 (2016)


BindingDB Entry DOI: 10.7270/Q2C82C8P
More data for this
Ligand-Target Pair
Protein-S-isoprenylcysteine O-methyltransferase


(Homo sapiens (Human))
BDBM50183412
PNG
(CHEMBL3822723)
Show SMILES [#6]-1-[#6]\[#6](-[#6]-[#6]-[#8]-1)=[#6](\c1cccs1)-c1ccccc1
Show InChI InChI=1S/C16H16OS/c1-2-5-13(6-3-1)16(15-7-4-12-18-15)14-8-10-17-11-9-14/h1-7,12H,8-11H2
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n/an/a>5.00E+4n/an/an/an/an/an/a



Icahn School of Medicine at Mount Sinai

Curated by ChEMBL


Assay Description
Inhibition of human isoprenylcysteine carboxyl methyltransferase expressed in yeast His10myc3N-Icmt membranes using AFC substrate and [14C]-SAM and i...


Medchemcomm 7: 1016-1021 (2016)


BindingDB Entry DOI: 10.7270/Q2C82C8P
More data for this
Ligand-Target Pair
Protein-S-isoprenylcysteine O-methyltransferase


(Homo sapiens (Human))
BDBM50183411
PNG
(CHEMBL3824039)
Show SMILES C1CC(CCN1)C(c1cccs1)c1ccc2ccccc2c1
Show InChI InChI=1S/C20H21NS/c1-2-5-17-14-18(8-7-15(17)4-1)20(19-6-3-13-22-19)16-9-11-21-12-10-16/h1-8,13-14,16,20-21H,9-12H2
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Icahn School of Medicine at Mount Sinai

Curated by ChEMBL


Assay Description
Inhibition of human isoprenylcysteine carboxyl methyltransferase expressed in yeast His10myc3N-Icmt membranes using AFC substrate and [14C]-SAM and i...


Medchemcomm 7: 1016-1021 (2016)


BindingDB Entry DOI: 10.7270/Q2C82C8P
More data for this
Ligand-Target Pair
Protein-S-isoprenylcysteine O-methyltransferase


(Homo sapiens (Human))
BDBM50183410
PNG
(CHEMBL3823389)
Show SMILES CN1CCC(CC1)C(c1cccs1)c1ccc2ccccc2c1
Show InChI InChI=1S/C21H23NS/c1-22-12-10-17(11-13-22)21(20-7-4-14-23-20)19-9-8-16-5-2-3-6-18(16)15-19/h2-9,14-15,17,21H,10-13H2,1H3
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n/an/a>5.00E+4n/an/an/an/an/an/a



Icahn School of Medicine at Mount Sinai

Curated by ChEMBL


Assay Description
Inhibition of human isoprenylcysteine carboxyl methyltransferase expressed in yeast His10myc3N-Icmt membranes using AFC substrate and [14C]-SAM and i...


Medchemcomm 7: 1016-1021 (2016)


BindingDB Entry DOI: 10.7270/Q2C82C8P
More data for this
Ligand-Target Pair
Protein-S-isoprenylcysteine O-methyltransferase


(Homo sapiens (Human))
BDBM50183443
PNG
(CHEMBL3823479)
Show SMILES [#6]-1-[#6]\[#6](-[#6]-[#6]-[#8]-1)=[#6](\c1ccccc1)-c1ccc2ccccc2c1
Show InChI InChI=1S/C22H20O/c1-2-7-18(8-3-1)22(19-12-14-23-15-13-19)21-11-10-17-6-4-5-9-20(17)16-21/h1-11,16H,12-15H2
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a>5.00E+4n/an/an/an/an/an/a



Icahn School of Medicine at Mount Sinai

Curated by ChEMBL


Assay Description
Inhibition of human isoprenylcysteine carboxyl methyltransferase expressed in yeast His10myc3N-Icmt membranes using AFC substrate and [14C]-SAM and i...


Medchemcomm 7: 1016-1021 (2016)


BindingDB Entry DOI: 10.7270/Q2C82C8P
More data for this
Ligand-Target Pair