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PubMed code 26396680

Compile data set for download or QSAR
Found 6 hits of Enzyme Inhibition Constant Data   
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
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM50132477
PNG
(CHEMBL3632716)
Show SMILES C[C@H]1CC[C@H](c2ccccc2)S(=O)(=O)N1Cc1cc(F)c(cc1F)C(CO)CC1COC1
Show InChI InChI=1S/C24H29F2NO4S/c1-16-7-8-24(18-5-3-2-4-6-18)32(29,30)27(16)12-19-10-23(26)21(11-22(19)25)20(13-28)9-17-14-31-15-17/h2-6,10-11,16-17,20,24,28H,7-9,12-15H2,1H3/t16-,20?,24+/m0/s1
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n/an/a 4n/an/an/an/an/an/a



Therachem Research Medilab (India) Pvt. Ltd.

Curated by ChEMBL


Assay Description
inhibitory concentration needed to to reduce the bovine GGTase-catalyzed incorporation of [3H]-FPP into a biotin-linked K-ras (B) decapeptide


ACS Med Chem Lett 6: 958-60 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00313
BindingDB Entry DOI: 10.7270/Q2DN46WJ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM50132478
PNG
(CHEMBL3634609)
Show SMILES Fc1cc(N2C[C@H]3[C@@H](C2)[C@@H]3n2cnnc2)c(F)cc1CN1CCCC[C@@H](c2ccccc2)S1(=O)=O
Show InChI InChI=1S/C25H27F2N5O2S/c26-21-11-23(30-13-19-20(14-30)25(19)31-15-28-29-16-31)22(27)10-18(21)12-32-9-5-4-8-24(35(32,33)34)17-6-2-1-3-7-17/h1-3,6-7,10-11,15-16,19-20,24-25H,4-5,8-9,12-14H2/t19-,20+,24-,25+/m0/s1
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n/an/a 5n/an/an/an/an/an/a



Therachem Research Medilab (India) Pvt. Ltd.

Curated by ChEMBL


Assay Description
inhibitory concentration needed to to reduce the bovine GGTase-catalyzed incorporation of [3H]-FPP into a biotin-linked K-ras (B) decapeptide


ACS Med Chem Lett 6: 958-60 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00313
BindingDB Entry DOI: 10.7270/Q2DN46WJ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM50132476
PNG
(CHEMBL3632715)
Show SMILES C[C@H]1CC[C@H](c2ccccc2)S(=O)(=O)N1Cc1ccc(cc1F)N1CCC2(CC1)N(C)C(=O)N(C)C2=O
Show InChI InChI=1S/C27H33FN4O4S/c1-19-9-12-24(20-7-5-4-6-8-20)37(35,36)32(19)18-21-10-11-22(17-23(21)28)31-15-13-27(14-16-31)25(33)29(2)26(34)30(27)3/h4-8,10-11,17,19,24H,9,12-16,18H2,1-3H3/t19-,24+/m0/s1
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n/an/a 6.90n/an/an/an/an/an/a



Therachem Research Medilab (India) Pvt. Ltd.

Curated by ChEMBL


Assay Description
Reduced farnesylation of H-ras transformed NIH3T3 cells


ACS Med Chem Lett 6: 958-60 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00313
BindingDB Entry DOI: 10.7270/Q2DN46WJ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM50132475
PNG
(CHEMBL3634612)
Show SMILES FC(F)[C@H]1CC[C@H](c2ccccc2)S(=O)(=O)N1Cc1ccc(cc1F)N1CCC(CC1)n1cnnc1
Show InChI InChI=1S/C25H28F3N5O2S/c26-22-14-21(31-12-10-20(11-13-31)32-16-29-30-17-32)7-6-19(22)15-33-23(25(27)28)8-9-24(36(33,34)35)18-4-2-1-3-5-18/h1-7,14,16-17,20,23-25H,8-13,15H2/t23-,24-/m1/s1
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n/an/a 26n/an/an/an/an/an/a



Therachem Research Medilab (India) Pvt. Ltd.

Curated by ChEMBL


Assay Description
inhibitory concentration needed to to reduce the bovine GGTase-catalyzed incorporation of [3H]-FPP into a biotin-linked K-ras (B) decapeptide


ACS Med Chem Lett 6: 958-60 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00313
BindingDB Entry DOI: 10.7270/Q2DN46WJ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM50132473
PNG
(CHEMBL3634610)
Show SMILES C[C@H]1CC[C@H](c2ccccc2)S(=O)(=O)N1Cc1ccc(cc1F)N1CCC(CO)(CC1)n1cnnc1
Show InChI InChI=1S/C26H32FN5O3S/c1-20-7-10-25(21-5-3-2-4-6-21)36(34,35)32(20)16-22-8-9-23(15-24(22)27)30-13-11-26(17-33,12-14-30)31-18-28-29-19-31/h2-6,8-9,15,18-20,25,33H,7,10-14,16-17H2,1H3/t20-,25+/m0/s1
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n/an/a 100n/an/an/an/an/an/a



Therachem Research Medilab (India) Pvt. Ltd.

Curated by ChEMBL


Assay Description
inhibitory concentration needed to to reduce the bovine GGTase-catalyzed incorporation of [3H]-FPP into a biotin-linked K-ras (B) decapeptide


ACS Med Chem Lett 6: 958-60 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00313
BindingDB Entry DOI: 10.7270/Q2DN46WJ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM50132474
PNG
(CHEMBL3634611)
Show SMILES C[C@H]1CC[C@H](c2ccccc2)S(=O)(=O)N1Cc1ccc(cc1F)C1(CCN(CC1)C(C)=O)OC(N)=O
Show InChI InChI=1S/C26H32FN3O5S/c1-18-8-11-24(20-6-4-3-5-7-20)36(33,34)30(18)17-21-9-10-22(16-23(21)27)26(35-25(28)32)12-14-29(15-13-26)19(2)31/h3-7,9-10,16,18,24H,8,11-15,17H2,1-2H3,(H2,28,32)/t18-,24+/m0/s1
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n/an/a 410n/an/an/an/an/an/a



Therachem Research Medilab (India) Pvt. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of [3H]-FPP incorporation into biotin-linked K-ras decapeptide (CVIM) by bovine farnesyltransferase


ACS Med Chem Lett 6: 958-60 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00313
BindingDB Entry DOI: 10.7270/Q2DN46WJ
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%