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Compile Data Set for Download or QSAR

Found 2945 hits with Last Name = 'barr' and Initial = 'kj'   
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
Tubulin


(Bos taurus)
BDBM50005480
PNG
((-)-combretastatin | (Z)-3'-hydroxy-3,4,4',5-tetra...)
Show SMILES COc1ccc(\C=C/c2cc(OC)c(OC)c(OC)c2)cc1O
Show InChI InChI=1S/C18H20O5/c1-20-15-8-7-12(9-14(15)19)5-6-13-10-16(21-2)18(23-4)17(11-13)22-3/h5-11,19H,1-4H3/b6-5-
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180n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding constant at colchicine site of bovine brain tubulin


Bioorg Med Chem Lett 12: 465-9 (2002)


BindingDB Entry DOI: 10.7270/Q2PC32W7
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tubulin


(Bos taurus)
BDBM50109343
PNG
(1-Methyl-5-[(S)-5-(3,4,5-trimethoxy-phenyl)-4,5-di...)
Show SMILES COc1cc(cc(OC)c1OC)[C@H]1CN=C(O1)c1ccc2n(C)ccc2c1 |c:15|
Show InChI InChI=1S/C21H22N2O4/c1-23-8-7-13-9-14(5-6-16(13)23)21-22-12-19(27-21)15-10-17(24-2)20(26-4)18(11-15)25-3/h5-11,19H,12H2,1-4H3/t19-/m1/s1
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630n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding constant at colchicine site of bovine brain tubulin


Bioorg Med Chem Lett 12: 465-9 (2002)


BindingDB Entry DOI: 10.7270/Q2PC32W7
More data for this
Ligand-Target Pair
Tubulin


(Bos taurus)
BDBM50014846
PNG
((S)-N-(5,6,7,9-tetrahydro-1,2,3,10-tetramethoxy-9-...)
Show SMILES COc1cc2CC[C@H](NC(C)=O)c3cc(=O)c(OC)ccc3-c2c(OC)c1OC |r|
Show InChI InChI=1S/C22H25NO6/c1-12(24)23-16-8-6-13-10-19(27-3)21(28-4)22(29-5)20(13)14-7-9-18(26-2)17(25)11-15(14)16/h7,9-11,16H,6,8H2,1-5H3,(H,23,24)/t16-/m0/s1
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780n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding constant at colchicine site of bovine brain tubulin


Bioorg Med Chem Lett 12: 465-9 (2002)


BindingDB Entry DOI: 10.7270/Q2PC32W7
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tubulin


(Bos taurus)
BDBM50109342
PNG
(1-Methyl-5-[(R)-5-(3,4,5-trimethoxy-phenyl)-4,5-di...)
Show SMILES COc1cc(cc(OC)c1OC)[C@@H]1CN=C(O1)c1ccc2n(C)ccc2c1 |c:15|
Show InChI InChI=1S/C21H22N2O4/c1-23-8-7-13-9-14(5-6-16(13)23)21-22-12-19(27-21)15-10-17(24-2)20(26-4)18(11-15)25-3/h5-11,19H,12H2,1-4H3/t19-/m0/s1
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3.69E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding constant at colchicine site of bovine brain tubulin


Bioorg Med Chem Lett 12: 465-9 (2002)


BindingDB Entry DOI: 10.7270/Q2PC32W7
More data for this
Ligand-Target Pair
Tubulin


(Bos taurus)
BDBM50012278
PNG
((2ALPHA,2''BETA,3BETA,4ALPHA,5BETA)-VINCALEUKOBLAS...)
Show SMILES CC[C@]1(O)C[C@@H]2CN(C1)CCc1c([nH]c3ccccc13)[C@@](C2)(C(=O)OC)c1cc2c(cc1OC)N(C)[C@@H]1[C@]22CCN3CC=C[C@](CC)([C@@H]23)[C@@H](OC(C)=O)[C@]1(O)C(=O)OC |r,c:48|
Show InChI InChI=1S/C46H58N4O9/c1-8-42(54)23-28-24-45(40(52)57-6,36-30(15-19-49(25-28)26-42)29-13-10-11-14-33(29)47-36)32-21-31-34(22-35(32)56-5)48(4)38-44(31)17-20-50-18-12-16-43(9-2,37(44)50)39(59-27(3)51)46(38,55)41(53)58-7/h10-14,16,21-22,28,37-39,47,54-55H,8-9,15,17-20,23-26H2,1-7H3/t28-,37-,38+,39+,42-,43+,44+,45-,46-/m0/s1
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>1.00E+5n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding constant at colchicine site of bovine brain tubulin


Bioorg Med Chem Lett 12: 465-9 (2002)


BindingDB Entry DOI: 10.7270/Q2PC32W7
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Protein Farnesyltransferase (PFT)


(Bos taurus (bovine))
BDBM50080765
PNG
((S)-2-({5-[(Cyclohexylmethyl-pyridin-3-yl-amino)-m...)
Show SMILES CSCC[C@H](NC(=O)c1ccc(CN(CC2CCCCC2)c2cccnc2)cc1-c1ccccc1C)C(O)=O
Show InChI InChI=1S/C32H39N3O3S/c1-23-9-6-7-13-27(23)29-19-25(14-15-28(29)31(36)34-30(32(37)38)16-18-39-2)22-35(26-12-8-17-33-20-26)21-24-10-4-3-5-11-24/h6-9,12-15,17,19-20,24,30H,3-5,10-11,16,18,21-22H2,1-2H3,(H,34,36)(H,37,38)/t30-/m0/s1
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Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of farnesyltransferase purified from bovine brain using scintillation proximity assay


J Med Chem 42: 3701-10 (1999)


Article DOI: 10.1021/jm9901935
BindingDB Entry DOI: 10.7270/Q2W958DC
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Bos taurus (bovine))
BDBM50080764
PNG
((S)-2-({5-[(Benzyl-pyridin-3-yl-amino)-methyl]-2'-...)
Show SMILES CSCC[C@H](NC(=O)c1ccc(CN(Cc2ccccc2)c2cccnc2)cc1-c1ccccc1C)C(O)=O
Show InChI InChI=1S/C32H33N3O3S/c1-23-9-6-7-13-27(23)29-19-25(14-15-28(29)31(36)34-30(32(37)38)16-18-39-2)22-35(26-12-8-17-33-20-26)21-24-10-4-3-5-11-24/h3-15,17,19-20,30H,16,18,21-22H2,1-2H3,(H,34,36)(H,37,38)/t30-/m0/s1
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Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of farnesyltransferase purified from bovine brain using scintillation proximity assay


J Med Chem 42: 3701-10 (1999)


Article DOI: 10.1021/jm9901935
BindingDB Entry DOI: 10.7270/Q2W958DC
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Bos taurus (bovine))
BDBM50080742
PNG
((S)-2-[(5-{[Benzyl-(5-fluoro-pyridin-3-yl)-amino]-...)
Show SMILES CSCC[C@H](NC(=O)c1ccc(CN(Cc2ccccc2)c2cncc(F)c2)cc1-c1ccccc1C)C(O)=O
Show InChI InChI=1S/C32H32FN3O3S/c1-22-8-6-7-11-27(22)29-16-24(12-13-28(29)31(37)35-30(32(38)39)14-15-40-2)21-36(20-23-9-4-3-5-10-23)26-17-25(33)18-34-19-26/h3-13,16-19,30H,14-15,20-21H2,1-2H3,(H,35,37)(H,38,39)/t30-/m0/s1
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Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of farnesyltransferase purified from bovine brain using scintillation proximity assay


J Med Chem 42: 3701-10 (1999)


Article DOI: 10.1021/jm9901935
BindingDB Entry DOI: 10.7270/Q2W958DC
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Bos taurus (bovine))
BDBM50080748
PNG
((S)-2-[(5-{[(3,5-Difluoro-benzyl)-thiazol-5-ylmeth...)
Show SMILES CSCC[C@H](NC(=O)c1ccc(CN(Cc2cncs2)Cc2cc(F)cc(F)c2)cc1-c1ccccc1C)C(O)=O
Show InChI InChI=1S/C31H31F2N3O3S2/c1-20-5-3-4-6-26(20)28-13-21(7-8-27(28)30(37)35-29(31(38)39)9-10-40-2)16-36(18-25-15-34-19-41-25)17-22-11-23(32)14-24(33)12-22/h3-8,11-15,19,29H,9-10,16-18H2,1-2H3,(H,35,37)(H,38,39)/t29-/m0/s1
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n/an/a 0.200n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of farnesyltransferase purified from bovine brain using scintillation proximity assay


J Med Chem 42: 3701-10 (1999)


Article DOI: 10.1021/jm9901935
BindingDB Entry DOI: 10.7270/Q2W958DC
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Bos taurus (bovine))
BDBM50080743
PNG
((S)-2-({5-[(Benzyl-thiazol-5-ylmethyl-amino)-methy...)
Show SMILES CSCC[C@H](NC(=O)c1ccc(CN(Cc2cncs2)Cc2ccccc2)cc1-c1ccccc1C)C(O)=O
Show InChI InChI=1S/C31H33N3O3S2/c1-22-8-6-7-11-26(22)28-16-24(12-13-27(28)30(35)33-29(31(36)37)14-15-38-2)19-34(20-25-17-32-21-39-25)18-23-9-4-3-5-10-23/h3-13,16-17,21,29H,14-15,18-20H2,1-2H3,(H,33,35)(H,36,37)/t29-/m0/s1
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n/an/a 0.400n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of farnesyltransferase purified from bovine brain using scintillation proximity assay


J Med Chem 42: 3701-10 (1999)


Article DOI: 10.1021/jm9901935
BindingDB Entry DOI: 10.7270/Q2W958DC
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Bos taurus (bovine))
BDBM50080747
PNG
((S)-2-[(5-{[(3,5-Difluoro-benzyl)-phenyl-amino]-me...)
Show SMILES CSCC[C@H](NC(=O)c1ccc(CN(Cc2cc(F)cc(F)c2)c2ccccc2)cc1-c1ccccc1C)C(O)=O
Show InChI InChI=1S/C33H32F2N2O3S/c1-22-8-6-7-11-28(22)30-18-23(12-13-29(30)32(38)36-31(33(39)40)14-15-41-2)20-37(27-9-4-3-5-10-27)21-24-16-25(34)19-26(35)17-24/h3-13,16-19,31H,14-15,20-21H2,1-2H3,(H,36,38)(H,39,40)/t31-/m0/s1
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n/an/a 0.400n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of farnesyltransferase purified from bovine brain using scintillation proximity assay


J Med Chem 42: 3701-10 (1999)


Article DOI: 10.1021/jm9901935
BindingDB Entry DOI: 10.7270/Q2W958DC
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Bos taurus (bovine))
BDBM50080750
PNG
((S)-2-({5-[(Benzyl-pyrimidin-5-yl-amino)-methyl]-2...)
Show SMILES CSCC[C@H](NC(=O)c1ccc(CN(Cc2ccccc2)c2cncnc2)cc1-c1ccccc1C)C(O)=O
Show InChI InChI=1S/C31H32N4O3S/c1-22-8-6-7-11-26(22)28-16-24(12-13-27(28)30(36)34-29(31(37)38)14-15-39-2)20-35(25-17-32-21-33-18-25)19-23-9-4-3-5-10-23/h3-13,16-18,21,29H,14-15,19-20H2,1-2H3,(H,34,36)(H,37,38)/t29-/m0/s1
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Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of farnesyltransferase purified from bovine brain using scintillation proximity assay


J Med Chem 42: 3701-10 (1999)


Article DOI: 10.1021/jm9901935
BindingDB Entry DOI: 10.7270/Q2W958DC
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Bos taurus (bovine))
BDBM50067563
PNG
((S)-2-{[2'-Methyl-5-(pyridin-3-yloxymethyl)-biphen...)
Show SMILES CSCC[C@H](NC(=O)c1ccc(COc2cccnc2)cc1-c1ccccc1C)C(O)=O
Show InChI InChI=1S/C25H26N2O4S/c1-17-6-3-4-8-20(17)22-14-18(16-31-19-7-5-12-26-15-19)9-10-21(22)24(28)27-23(25(29)30)11-13-32-2/h3-10,12,14-15,23H,11,13,16H2,1-2H3,(H,27,28)(H,29,30)/t23-/m0/s1
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Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of farnesyltransferase purified from bovine brain using scintillation proximity assay


J Med Chem 42: 3701-10 (1999)


Article DOI: 10.1021/jm9901935
BindingDB Entry DOI: 10.7270/Q2W958DC
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Bos taurus (bovine))
BDBM50067581
PNG
((S)-2-{[2'-Methyl-5-(pyridin-3-ylaminomethyl)-biph...)
Show SMILES CSCC[C@H](NC(=O)c1ccc(CNc2cccnc2)cc1-c1ccccc1C)C(O)=O
Show InChI InChI=1S/C25H27N3O3S/c1-17-6-3-4-8-20(17)22-14-18(15-27-19-7-5-12-26-16-19)9-10-21(22)24(29)28-23(25(30)31)11-13-32-2/h3-10,12,14,16,23,27H,11,13,15H2,1-2H3,(H,28,29)(H,30,31)/t23-/m0/s1
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n/an/a 0.400n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of farnesyltransferase purified from bovine brain using scintillation proximity assay


J Med Chem 42: 3701-10 (1999)


Article DOI: 10.1021/jm9901935
BindingDB Entry DOI: 10.7270/Q2W958DC
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM359544
PNG
(4-{(6R or S)-1-({2- chloro-6-[1- (difluoromethyl)c...)
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n/an/a 0.5n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent




US Patent US10221142 (2019)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM359569
PNG
((R or S)-4-(1-(2- chloro-6-(1- (trifluoromethyl)cy...)
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Merck Sharp & Dohme Corp.

US Patent




US Patent US10221142 (2019)

More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Bos taurus (bovine))
BDBM50080759
PNG
((S)-2-{[2'-Methyl-4-phenethyl-5-(pyridin-3-yloxyme...)
Show SMILES CSCC[C@H](NC(=O)c1cc(CCc2ccccc2)c(COc2cccnc2)cc1-c1ccccc1C)C(O)=O
Show InChI InChI=1S/C33H34N2O4S/c1-23-9-6-7-13-28(23)29-20-26(22-39-27-12-8-17-34-21-27)25(15-14-24-10-4-3-5-11-24)19-30(29)32(36)35-31(33(37)38)16-18-40-2/h3-13,17,19-21,31H,14-16,18,22H2,1-2H3,(H,35,36)(H,37,38)/t31-/m0/s1
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Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of farnesyltransferase purified from bovine brain using scintillation proximity assay


J Med Chem 42: 3701-10 (1999)


Article DOI: 10.1021/jm9901935
BindingDB Entry DOI: 10.7270/Q2W958DC
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM359568
PNG
((R or S)-4-(1-(2- chloro-6-(1- (trifluoromethyl)cy...)
PDB

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n/an/a 0.5n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent




US Patent US10221142 (2019)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM359566
PNG
((R or S)-4-(1-(2- chloro-6-(1- (trifluoromethyl)cy...)
PDB

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Merck Sharp & Dohme Corp.

US Patent




US Patent US10221142 (2019)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM359548
PNG
(4-{(6R or S)-1-({2- chloro-6-[1- (difluoromethyl)c...)
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Merck Sharp & Dohme Corp.

US Patent




US Patent US10221142 (2019)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM359543
PNG
(4-[(6R or S)-1-({2- chloro-6-[1- (trifluoromethyl)...)
PDB

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Merck Sharp & Dohme Corp.

US Patent




US Patent US10221142 (2019)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM359571
PNG
((R or S)-4-(1-(2- chloro-6-(1- (trifluoromethyl)c...)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.600n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent




US Patent US10221142 (2019)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM359570
PNG
((R or S)-4-(1-(2- chloro-6-(1- (trifluoromethyl)cy...)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.600n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent




US Patent US10221142 (2019)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM359545
PNG
(4-{(6R or S)-1-({2- chloro-6-[1- (trifluoromethyl)...)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.600n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent




US Patent US10221142 (2019)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM359567
PNG
((R or S)-4-(1-(2- chloro-6-(1- (trifluoromethyl)cy...)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.600n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent




US Patent US10221142 (2019)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM359535
PNG
(US10221142, Example 21A)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.700n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent




US Patent US10221142 (2019)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM359582
PNG
((R or S)-4-(1-(2- chloro-6-(1- (trifluoromethyl)cy...)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.700n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent




US Patent US10221142 (2019)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM359577
PNG
(4-[(6R or S)-1-({2- chloro-6-[1- (trifluoromethyl)...)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.700n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent




US Patent US10221142 (2019)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM359540
PNG
(4-[(6R or S)-1-({2- chloro-6-[1- (trifluoromethyl)...)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.700n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent




US Patent US10221142 (2019)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM359547
PNG
(4-[(6R or S)-1-({2- chloro-6-[1- (trifluoromethyl)...)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.700n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent




US Patent US10221142 (2019)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM359586
PNG
(4-{(6R or S)-1-({2- chloro-6-[1- (trifluoromethyl)...)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.800n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent




US Patent US10221142 (2019)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM359578
PNG
(4-[(6R or S)-1-({2- chloro-6-[1- (trifluoromethyl)...)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.800n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent




US Patent US10221142 (2019)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM359539
PNG
(4-{(6R or S)-1-({2- chloro-6-[1- (trifluoromethyl...)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.800n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent




US Patent US10221142 (2019)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM359550
PNG
(4-[(6R or S)-1-({2- chloro-6-[1- (difluoromethyl)c...)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.800n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent




US Patent US10221142 (2019)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM359565
PNG
((R or S)-4-(1-(2- chloro-6-(1- (trifluoromethyl)cy...)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.800n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent




US Patent US10221142 (2019)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM359551
PNG
(4-[(6R or S)-1-({2- chloro-6-[1- (difluoromethyl)c...)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.800n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent




US Patent US10221142 (2019)

More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Bos taurus (bovine))
BDBM50080744
PNG
((S)-2-({5-[(Benzyl-pyrazin-2-yl-amino)-methyl]-2'-...)
Show SMILES CSCC[C@H](NC(=O)c1ccc(CN(Cc2ccccc2)c2cnccn2)cc1-c1ccccc1C)C(O)=O
Show InChI InChI=1S/C31H32N4O3S/c1-22-8-6-7-11-25(22)27-18-24(12-13-26(27)30(36)34-28(31(37)38)14-17-39-2)21-35(29-19-32-15-16-33-29)20-23-9-4-3-5-10-23/h3-13,15-16,18-19,28H,14,17,20-21H2,1-2H3,(H,34,36)(H,37,38)/t28-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 0.800n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of farnesyltransferase purified from bovine brain using scintillation proximity assay


J Med Chem 42: 3701-10 (1999)


Article DOI: 10.1021/jm9901935
BindingDB Entry DOI: 10.7270/Q2W958DC
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM359541
PNG
(4-[(6R or S)-1-({2- chloro-6-[1- (trifluoromethyl)...)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.900n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent




US Patent US10221142 (2019)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM359541
PNG
(4-[(6R or S)-1-({2- chloro-6-[1- (trifluoromethyl)...)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.900n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent




US Patent US10221142 (2019)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM359564
PNG
((R or S)-4-(1-(2- chloro-6-(1- (trifluoromethyl)cy...)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.900n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent




US Patent US10221142 (2019)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM359555
PNG
((R or S)-4-(6-(((1H- pyrazol-5- yl)methyl)(methyl)...)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.900n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent




US Patent US10221142 (2019)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM359574
PNG
(4-[(6R or S)-1-({2- chloro-6-[1- (trifluoromethyl)...)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.900n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent




US Patent US10221142 (2019)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM359552
PNG
((R or S)-4-(1-(2- chloro-6-(1- (trifluoromethyl)cy...)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.900n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent




US Patent US10221142 (2019)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM359584
PNG
((R or S)-4-(1-(2- chloro-6-(1- (trifluoromethyl)cy...)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.900n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent




US Patent US10221142 (2019)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM359556
PNG
((R or S)-4-(1-(2- chloro-6-(1- (trifluoromethyl)cy...)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent




US Patent US10221142 (2019)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM359510
PNG
(4-(1-(2-chloro-6- cyclopropylbenzoyl)- 6-(3- metho...)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent




US Patent US10221142 (2019)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM235032
PNG
(US9556168, 10B)
Show SMILES OC(=O)c1cc(F)c(cc1O)-c1nn(Cc2c(Cl)cccc2C(F)(F)F)c2cc(cc(F)c12)C(=O)N1CCC1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1n/an/an/an/a7.0n/a



Merck Sharp & Dohme Corp.

US Patent




US Patent US9556168 (2017)


BindingDB Entry DOI: 10.7270/Q2D220MV
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM359557
PNG
((R or S)-4-(1-(2- chloro-6-(1- (trifluoromethyl)cy...)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent




US Patent US10221142 (2019)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM332524
PNG
(4-(1-(2-chloro-6- (trifluoromethyl)benzoyl)-6- (3-...)
Show SMILES COC1CN(C1)C(=O)c1ccc2c(cn(C(=O)c3c(Cl)cccc3C(F)(F)F)c2c1)-c1ccc(cc1F)C(O)=O
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent




US Patent US10196354 (2019)


BindingDB Entry DOI: 10.7270/Q2M90BSR
More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM359579
PNG
((R or S)-4-(1-(2- chloro-6-(1- (trifluoromethyl)cy...)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent




US Patent US10221142 (2019)

More data for this
Ligand-Target Pair
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