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Compile Data Set for Download or QSAR

Found 128 hits with Last Name = 'anjanappa' and Initial = 'p'   
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
Genome polyprotein


(Hepatitis C virus (HCV))		BDBM307542
PNG
(5-(3-((2-(1,2,4-Oxadiazol-3-yl)propan-2-yl)carbamo...)
Show SMILES CCOc1cc2oc(c(C(=O)NC)c2cc1-c1ccc(OC)c(c1)C(=O)NC(C)(C)c1ncon1)-c1ccc(F)cc1
Show InChI InChI=1S/C31H29FN4O6/c1-6-40-24-15-25-21(26(29(38)33-4)27(42-25)17-7-10-19(32)11-8-17)14-20(24)18-9-12-23(39-5)22(13-18)28(37)35-31(2,3)30-34-16-41-36-30/h7-16H,6H2,1-5H3,(H,33,38)(H,35,37)
PDB

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n/an/a 0.603n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
To evaluate compound efficacy, titrated compounds were transferred to sterile 384-well tissue culture treated plates, and the plates were seeded with...

US Patent US10150747 (2018)


BindingDB Entry DOI: 10.7270/Q2H70HWJ
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50509860
PNG
(CHEMBL4442783)
Show SMILES CC(C)N(C)[C@@H]1CC[C@@H]([C@@H](C1)NC(C)=O)N1CC[C@H](Nc2ncnc3ccc(cc23)C(F)(F)F)C1=O |r|
Show InChI InChI=1S/C25H33F3N6O2/c1-14(2)33(4)17-6-8-22(21(12-17)31-15(3)35)34-10-9-20(24(34)36)32-23-18-11-16(25(26,27)28)5-7-19(18)29-13-30-23/h5,7,11,13-14,17,20-22H,6,8-10,12H2,1-4H3,(H,31,35)(H,29,30,32)/t17-,20+,21-,22+/m1/s1
PDB

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antibodypedia
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n/an/a 0.700n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at CCR2 in human THP-1 cells assessed as reduction in CCL2-induced chemotaxis

Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00373
BindingDB Entry DOI: 10.7270/Q2M04981
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50557872
PNG
(CHEMBL4781426)
Show SMILES CC(=O)N[C@@H]1C[C@@H](CC[C@@H]1N1CC[C@H](Nc2ncnc3ccc(cc23)C(F)(F)F)C1=O)NC(C)(C)C |r|
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n/an/a 0.800n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at CCR2 in human THP-1 cells assessed as reduction in CCL2-induced chemotaxis

Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00373
BindingDB Entry DOI: 10.7270/Q2M04981
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50578294
PNG
(Bms 813160 | Bms-813160)
Show SMILES CC(=O)N[C@@H]1C[C@@H](CC[C@@H]1N1CC[C@H](Nc2ncnc3cc(nn23)C(C)(C)C)C1=O)NC(C)(C)C
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n/an/a 0.800n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at CCR2 in human THP-1 cells assessed as reduction in CCL2-induced chemotaxis

Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00373
BindingDB Entry DOI: 10.7270/Q2M04981
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))		BDBM50578294
PNG
(Bms 813160 | Bms-813160)
Show SMILES CC(=O)N[C@@H]1C[C@@H](CC[C@@H]1N1CC[C@H](Nc2ncnc3cc(nn23)C(C)(C)C)C1=O)NC(C)(C)C
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n/an/a 1.10n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at CCR5 in human peripheral T cells assessed as reduction in MIP-1beta-induced chemotaxis

Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00373
BindingDB Entry DOI: 10.7270/Q2M04981
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))		BDBM50557872
PNG
(CHEMBL4781426)
Show SMILES CC(=O)N[C@@H]1C[C@@H](CC[C@@H]1N1CC[C@H](Nc2ncnc3ccc(cc23)C(F)(F)F)C1=O)NC(C)(C)C |r|
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n/an/a 1.10n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at CCR5 in human peripheral T cells assessed as reduction in MIP-1beta-induced chemotaxis

Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00373
BindingDB Entry DOI: 10.7270/Q2M04981
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus (HCV))		BDBM307547
PNG
(BDBM307549 | N-(2-(1,2,4-oxadiazol-3-yl)propan-2-y...)
Show SMILES CCOc1cc2oc(c(C(=O)NC)c2cc1-c1cnc(OC)c(c1)C(=O)NC(C)(C)c1ncon1)-c1ccc(F)cc1
Show InChI InChI=1S/C30H28FN5O6/c1-6-40-22-13-23-20(24(27(38)32-4)25(42-23)16-7-9-18(31)10-8-16)12-19(22)17-11-21(28(39-5)33-14-17)26(37)35-30(2,3)29-34-15-41-36-29/h7-15H,6H2,1-5H3,(H,32,38)(H,35,37)
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n/an/a 1.52n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
To evaluate compound efficacy, titrated compounds were transferred to sterile 384-well tissue culture treated plates, and the plates were seeded with...

US Patent US10150747 (2018)


BindingDB Entry DOI: 10.7270/Q2H70HWJ
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus (HCV))		BDBM307550
PNG
(N-(2-cyanopropan-2-yl)-5-(6-ethoxy-2-(4-fluorophen...)
Show SMILES CCOc1cc2oc(c(C(=O)NC)c2cc1-c1cnc(OC)c(c1)C(=O)NC(C)(C)C#N)-c1ccc(F)cc1
Show InChI InChI=1S/C29H27FN4O5/c1-6-38-22-13-23-20(24(27(36)32-4)25(39-23)16-7-9-18(30)10-8-16)12-19(22)17-11-21(28(37-5)33-14-17)26(35)34-29(2,3)15-31/h7-14H,6H2,1-5H3,(H,32,36)(H,34,35)
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n/an/a 1.84n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
To evaluate compound efficacy, titrated compounds were transferred to sterile 384-well tissue culture treated plates, and the plates were seeded with...

US Patent US10150747 (2018)


BindingDB Entry DOI: 10.7270/Q2H70HWJ
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus (HCV))		BDBM307545
PNG
(6-Ethoxy-2-(4-fluorophenyl)-5-(4-methoxy-3-((1-(py...)
Show SMILES CCOc1cc2oc(c(C(=O)NC)c2cc1-c1ccc(OC)c(c1)C(=O)NC1(CC1)c1ncccn1)-c1ccc(F)cc1
Show InChI InChI=1S/C33H29FN4O5/c1-4-42-26-18-27-23(28(31(40)35-2)29(43-27)19-6-9-21(34)10-7-19)17-22(26)20-8-11-25(41-3)24(16-20)30(39)38-33(12-13-33)32-36-14-5-15-37-32/h5-11,14-18H,4,12-13H2,1-3H3,(H,35,40)(H,38,39)
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n/an/a 1.89n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
To evaluate compound efficacy, titrated compounds were transferred to sterile 384-well tissue culture treated plates, and the plates were seeded with...

US Patent US10150747 (2018)


BindingDB Entry DOI: 10.7270/Q2H70HWJ
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus (HCV))		BDBM307566
PNG
(5-(3-((2-(1,2,4-thiadiazol-3-yl)propan-2-yl)carbam...)
Show SMILES CCOc1cc2oc(c(C(=O)NC)c2cc1-c1ccc(OC)c(c1)C(=O)NC(C)(C)c1ncsn1)-c1ccc(F)cc1
Show InChI InChI=1S/C31H29FN4O5S/c1-6-40-24-15-25-21(26(29(38)33-4)27(41-25)17-7-10-19(32)11-8-17)14-20(24)18-9-12-23(39-5)22(13-18)28(37)35-31(2,3)30-34-16-42-36-30/h7-16H,6H2,1-5H3,(H,33,38)(H,35,37)
PDB

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n/an/a 2.04n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
To evaluate compound efficacy, titrated compounds were transferred to sterile 384-well tissue culture treated plates, and the plates were seeded with...

US Patent US10150747 (2018)


BindingDB Entry DOI: 10.7270/Q2H70HWJ
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus (HCV))		BDBM307561
PNG
(5-(3-((2-cyanopropan-2-yl)carbamoyl)-4-(methoxy-d3...)
Show SMILES CCOc1cc2oc(c(C(=O)NC)c2cc1-c1ccc(OC)c(c1)C(=O)NC(C)(C)C#N)-c1ccc(F)cc1
Show InChI InChI=1S/C30H28FN3O5/c1-6-38-24-15-25-21(26(29(36)33-4)27(39-25)17-7-10-19(31)11-8-17)14-20(24)18-9-12-23(37-5)22(13-18)28(35)34-30(2,3)16-32/h7-15H,6H2,1-5H3,(H,33,36)(H,34,35)
PDB

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n/an/a 2.04n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
To evaluate compound efficacy, titrated compounds were transferred to sterile 384-well tissue culture treated plates, and the plates were seeded with...

US Patent US10150747 (2018)


BindingDB Entry DOI: 10.7270/Q2H70HWJ
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus (HCV))		BDBM307542
PNG
(5-(3-((2-(1,2,4-Oxadiazol-3-yl)propan-2-yl)carbamo...)
Show SMILES CCOc1cc2oc(c(C(=O)NC)c2cc1-c1ccc(OC)c(c1)C(=O)NC(C)(C)c1ncon1)-c1ccc(F)cc1
Show InChI InChI=1S/C31H29FN4O6/c1-6-40-24-15-25-21(26(29(38)33-4)27(42-25)17-7-10-19(32)11-8-17)14-20(24)18-9-12-23(39-5)22(13-18)28(37)35-31(2,3)30-34-16-41-36-30/h7-16H,6H2,1-5H3,(H,33,38)(H,35,37)
PDB

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n/an/a 2.22n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
To evaluate compound efficacy, titrated compounds were transferred to sterile 384-well tissue culture treated plates, and the plates were seeded with...

US Patent US10150747 (2018)


BindingDB Entry DOI: 10.7270/Q2H70HWJ
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus (HCV))		BDBM307558
PNG
(5-(3-((2-(1,2,4-oxadiazol-3-yl)propan-2-yl)carbamo...)
Show SMILES CCCOc1cc2oc(c(C(=O)NC)c2cc1-c1ccc(OC)c(c1)C(=O)NC(C)(C)c1ncon1)-c1ccc(F)cc1
Show InChI InChI=1S/C32H31FN4O6/c1-6-13-41-25-16-26-22(27(30(39)34-4)28(43-26)18-7-10-20(33)11-8-18)15-21(25)19-9-12-24(40-5)23(14-19)29(38)36-32(2,3)31-35-17-42-37-31/h7-12,14-17H,6,13H2,1-5H3,(H,34,39)(H,36,38)
PDB

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n/an/a 2.48n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
To evaluate compound efficacy, titrated compounds were transferred to sterile 384-well tissue culture treated plates, and the plates were seeded with...

US Patent US10150747 (2018)


BindingDB Entry DOI: 10.7270/Q2H70HWJ
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus (HCV))		BDBM307548
PNG
(N-(bicyclo[1.1.1]pentan-1-yl)-5-(6-ethoxy-2-(4-flu...)
Show SMILES CCOc1cc2oc(c(C(=O)NC)c2cc1-c1cnc(OC)c(c1)C(=O)NC12CC11CC1C2)-c1ccc(F)cc1
Show InChI InChI=1S/C31H28FN3O5/c1-4-39-23-11-24-21(25(28(37)33-2)26(40-24)16-5-7-19(32)8-6-16)10-20(23)17-9-22(29(38-3)34-14-17)27(36)35-31-13-18-12-30(18,31)15-31/h5-11,14,18H,4,12-13,15H2,1-3H3,(H,33,37)(H,35,36)
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n/an/a 2.48n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
To evaluate compound efficacy, titrated compounds were transferred to sterile 384-well tissue culture treated plates, and the plates were seeded with...

US Patent US10150747 (2018)


BindingDB Entry DOI: 10.7270/Q2H70HWJ
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50557872
PNG
(CHEMBL4781426)
Show SMILES CC(=O)N[C@@H]1C[C@@H](CC[C@@H]1N1CC[C@H](Nc2ncnc3ccc(cc23)C(F)(F)F)C1=O)NC(C)(C)C |r|
PDB

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n/an/a 2.60n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at CCR2 in human whole blood assessed as inhibition of CCL2-induced CD11b upregulation

Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00373
BindingDB Entry DOI: 10.7270/Q2M04981
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus (HCV))		BDBM307546
PNG
(5-(6-Ethoxy-2-(4-fluorophenyl)-3-(methylcarbamoyl)...)
Show SMILES CCOc1cc2oc(c(C(=O)NC)c2cc1-c1cnc(OC)c(c1)C(=O)NC1(CC1)c1ncccn1)-c1ccc(F)cc1
Show InChI InChI=1S/C32H28FN5O5/c1-4-42-24-16-25-22(26(29(40)34-2)27(43-25)18-6-8-20(33)9-7-18)15-21(24)19-14-23(30(41-3)37-17-19)28(39)38-32(10-11-32)31-35-12-5-13-36-31/h5-9,12-17H,4,10-11H2,1-3H3,(H,34,40)(H,38,39)
PDB

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n/an/a 2.72n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
To evaluate compound efficacy, titrated compounds were transferred to sterile 384-well tissue culture treated plates, and the plates were seeded with...

US Patent US10150747 (2018)


BindingDB Entry DOI: 10.7270/Q2H70HWJ
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus (HCV))		BDBM307547
PNG
(BDBM307549 | N-(2-(1,2,4-oxadiazol-3-yl)propan-2-y...)
Show SMILES CCOc1cc2oc(c(C(=O)NC)c2cc1-c1cnc(OC)c(c1)C(=O)NC(C)(C)c1ncon1)-c1ccc(F)cc1
Show InChI InChI=1S/C30H28FN5O6/c1-6-40-22-13-23-20(24(27(38)32-4)25(42-23)16-7-9-18(31)10-8-16)12-19(22)17-11-21(28(39-5)33-14-17)26(37)35-30(2,3)29-34-15-41-36-29/h7-15H,6H2,1-5H3,(H,32,38)(H,35,37)
PDB

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n/an/a 2.73n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
To evaluate compound efficacy, titrated compounds were transferred to sterile 384-well tissue culture treated plates, and the plates were seeded with...

US Patent US10150747 (2018)


BindingDB Entry DOI: 10.7270/Q2H70HWJ
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus (HCV))		BDBM307551
PNG
(5-(3-((2-(1,2,4-oxadiazol-3-yl)propan-2-yl)carbamo...)
Show SMILES CNC(=O)c1c(oc2cc(OCC(F)(F)F)c(cc12)-c1ccc(OC)c(c1)C(=O)NC(C)(C)c1ncon1)-c1ccc(F)cc1
Show InChI InChI=1S/C31H26F4N4O6/c1-30(2,29-37-15-44-39-29)38-27(40)21-11-17(7-10-22(21)42-4)19-12-20-24(13-23(19)43-14-31(33,34)35)45-26(25(20)28(41)36-3)16-5-8-18(32)9-6-16/h5-13,15H,14H2,1-4H3,(H,36,41)(H,38,40)
PDB

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n/an/a 2.83n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
To evaluate compound efficacy, titrated compounds were transferred to sterile 384-well tissue culture treated plates, and the plates were seeded with...

US Patent US10150747 (2018)


BindingDB Entry DOI: 10.7270/Q2H70HWJ
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus (HCV))		BDBM307562
PNG
(5-(2-(4-Fluorophenyl)-3-(methylcarbamoyl)-6-(2,2,2...)
Show SMILES CNC(=O)c1c(oc2cc(OCC(F)(F)F)c(cc12)-c1cnc(OC)c(c1)C(=O)NC1(CC1)c1ncccn1)-c1ccc(F)cc1
Show InChI InChI=1S/C32H25F4N5O5/c1-37-28(43)25-21-13-20(23(45-16-32(34,35)36)14-24(21)46-26(25)17-4-6-19(33)7-5-17)18-12-22(29(44-2)40-15-18)27(42)41-31(8-9-31)30-38-10-3-11-39-30/h3-7,10-15H,8-9,16H2,1-2H3,(H,37,43)(H,41,42)
PDB

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n/an/a 2.95n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
To evaluate compound efficacy, titrated compounds were transferred to sterile 384-well tissue culture treated plates, and the plates were seeded with...

US Patent US10150747 (2018)


BindingDB Entry DOI: 10.7270/Q2H70HWJ
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus (HCV))		BDBM307543
PNG
(5-(3-((2-Cyanopropan-2-yl)carbamoyl)phenyl)-2-(4-f...)
Show SMILES CNC(=O)c1c(oc2cc(OCC(F)(F)F)c(cc12)-c1cccc(c1)C(=O)NC(C)(C)C#N)-c1ccc(F)cc1
Show InChI InChI=1S/C29H23F4N3O4/c1-28(2,14-34)36-26(37)18-6-4-5-17(11-18)20-12-21-23(13-22(20)39-15-29(31,32)33)40-25(24(21)27(38)35-3)16-7-9-19(30)10-8-16/h4-13H,15H2,1-3H3,(H,35,38)(H,36,37)
PDB

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n/an/a 3.02n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
To evaluate compound efficacy, titrated compounds were transferred to sterile 384-well tissue culture treated plates, and the plates were seeded with...

US Patent US10150747 (2018)


BindingDB Entry DOI: 10.7270/Q2H70HWJ
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus (HCV))		BDBM307539
PNG
(5-(3-((2-(1,2,4-Oxadiazol-3-yl)propan-2-yl)carbamo...)
Show SMILES CCOc1cc2oc(c(C(=O)NC)c2cc1-c1cccc(c1)C(=O)NC(C)(C)c1ncon1)-c1ccc(F)cc1
Show InChI InChI=1S/C30H27FN4O5/c1-5-38-23-15-24-22(25(28(37)32-4)26(40-24)17-9-11-20(31)12-10-17)14-21(23)18-7-6-8-19(13-18)27(36)34-30(2,3)29-33-16-39-35-29/h6-16H,5H2,1-4H3,(H,32,37)(H,34,36)
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US Patent
n/an/a 3.31n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
To evaluate compound efficacy, titrated compounds were transferred to sterile 384-well tissue culture treated plates, and the plates were seeded with...

US Patent US10150747 (2018)


BindingDB Entry DOI: 10.7270/Q2H70HWJ
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))		BDBM50578294
PNG
(Bms 813160 | Bms-813160)
Show SMILES CC(=O)N[C@@H]1C[C@@H](CC[C@@H]1N1CC[C@H](Nc2ncnc3cc(nn23)C(C)(C)C)C1=O)NC(C)(C)C
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n/an/a 3.60n/an/an/an/an/an/a


TBA

Assay Description
Displacement of [125I]MIP-1beta from CCR5 in human peripheral T cells

Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00373
BindingDB Entry DOI: 10.7270/Q2M04981
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus (HCV))		BDBM307537
PNG
(5-(3-(Bicyclo[1.1.1]pentan-1-ylcarbamoyl)-4-fluoro...)
Show SMILES CNC(=O)c1c(oc2cc(OCC(F)(F)F)c(cc12)-c1ccc(F)c(c1)C(=O)NC12CC(C1)C2)-c1ccc(F)cc1
Show InChI InChI=1S/C30H23F5N2O4/c1-36-28(39)25-21-9-19(17-4-7-22(32)20(8-17)27(38)37-29-11-15(12-29)13-29)23(40-14-30(33,34)35)10-24(21)41-26(25)16-2-5-18(31)6-3-16/h2-10,15H,11-14H2,1H3,(H,36,39)(H,37,38)
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US Patent
n/an/a 3.88n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
To evaluate compound efficacy, titrated compounds were transferred to sterile 384-well tissue culture treated plates, and the plates were seeded with...

US Patent US10150747 (2018)


BindingDB Entry DOI: 10.7270/Q2H70HWJ
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus (HCV))		BDBM307567
PNG
(5-(3-((2-(1,2,4-Oxadiazol-3-yl)propan-2-yl)carbamo...)
Show SMILES CNC(=O)c1c(oc2cc(OCCO)c(cc12)-c1ccc(OC)c(c1)C(=O)NC(C)(C)c1ncon1)-c1ccc(F)cc1
Show InChI InChI=1S/C31H29FN4O7/c1-31(2,30-34-16-42-36-30)35-28(38)22-13-18(7-10-23(22)40-4)20-14-21-25(15-24(20)41-12-11-37)43-27(26(21)29(39)33-3)17-5-8-19(32)9-6-17/h5-10,13-16,37H,11-12H2,1-4H3,(H,33,39)(H,35,38)
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n/an/a 3.89n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
To evaluate compound efficacy, titrated compounds were transferred to sterile 384-well tissue culture treated plates, and the plates were seeded with...

US Patent US10150747 (2018)


BindingDB Entry DOI: 10.7270/Q2H70HWJ
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus (HCV))		BDBM307535
PNG
(2-(4-Fluorophenyl)-5-(4-methoxy-3-((1-(pyrimidin-2...)
Show SMILES CNC(=O)c1c(oc2cc(OCC(F)(F)F)c(cc12)-c1ccc(OC)c(c1)C(=O)NC1(CC1)c1ncccn1)-c1ccc(F)cc1
Show InChI InChI=1S/C33H26F4N4O5/c1-38-30(43)27-22-15-21(25(45-17-33(35,36)37)16-26(22)46-28(27)18-4-7-20(34)8-5-18)19-6-9-24(44-2)23(14-19)29(42)41-32(10-11-32)31-39-12-3-13-40-31/h3-9,12-16H,10-11,17H2,1-2H3,(H,38,43)(H,41,42)
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n/an/a 4.15n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
To evaluate compound efficacy, titrated compounds were transferred to sterile 384-well tissue culture treated plates, and the plates were seeded with...

US Patent US10150747 (2018)


BindingDB Entry DOI: 10.7270/Q2H70HWJ
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus (HCV))		BDBM307552
PNG
(5-(3-((2-(1,2,4-Oxadiazol-3-yl)propan-2-yl)carbamo...)
Show SMILES CNC(=O)c1c(oc2cc(OCC(F)F)c(cc12)-c1cccc(c1)C(=O)NC(C)(C)c1ncon1)-c1ccc(F)cc1
Show InChI InChI=1S/C30H25F3N4O5/c1-30(2,29-35-15-41-37-29)36-27(38)18-6-4-5-17(11-18)20-12-21-23(13-22(20)40-14-24(32)33)42-26(25(21)28(39)34-3)16-7-9-19(31)10-8-16/h4-13,15,24H,14H2,1-3H3,(H,34,39)(H,36,38)
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n/an/a 4.20n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
To evaluate compound efficacy, titrated compounds were transferred to sterile 384-well tissue culture treated plates, and the plates were seeded with...

US Patent US10150747 (2018)


BindingDB Entry DOI: 10.7270/Q2H70HWJ
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus (HCV))		BDBM307538
PNG
(5-(3-(Bicyclo[1.1.1]pentan-1-ylcarbamoyl)phenyl)-6...)
Show SMILES CCOc1cc2oc(c(C(=O)NC)c2cc1-c1cccc(c1)C(=O)NC12CC(C1)C2)-c1ccc(F)cc1
Show InChI InChI=1S/C30H27FN2O4/c1-3-36-24-13-25-23(26(29(35)32-2)27(37-25)18-7-9-21(31)10-8-18)12-22(24)19-5-4-6-20(11-19)28(34)33-30-14-17(15-30)16-30/h4-13,17H,3,14-16H2,1-2H3,(H,32,35)(H,33,34)
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n/an/a 4.30n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
To evaluate compound efficacy, titrated compounds were transferred to sterile 384-well tissue culture treated plates, and the plates were seeded with...

US Patent US10150747 (2018)


BindingDB Entry DOI: 10.7270/Q2H70HWJ
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus (HCV))		BDBM307536
PNG
(5-(4-Fluoro-3-((1-(pyrimidin-2-yl)cyclopropyl)carb...)
Show SMILES CNC(=O)c1c(oc2cc(OCC(F)(F)F)c(cc12)-c1ccc(F)c(c1)C(=O)NC1(CC1)c1ncccn1)-c1ccc(F)cc1
Show InChI InChI=1S/C32H23F5N4O4/c1-38-29(43)26-22-14-20(24(44-16-32(35,36)37)15-25(22)45-27(26)17-3-6-19(33)7-4-17)18-5-8-23(34)21(13-18)28(42)41-31(9-10-31)30-39-11-2-12-40-30/h2-8,11-15H,9-10,16H2,1H3,(H,38,43)(H,41,42)
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n/an/a 4.38n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
To evaluate compound efficacy, titrated compounds were transferred to sterile 384-well tissue culture treated plates, and the plates were seeded with...

US Patent US10150747 (2018)


BindingDB Entry DOI: 10.7270/Q2H70HWJ
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus (HCV))		BDBM307554
PNG
(5-(3-((2-(1,2,4-oxadiazol-3-yl)propan-2-yl)carbamo...)
Show SMILES CNC(=O)c1c(oc2cc(OCC(F)(F)F)c(cc12)-c1cccc(c1)C(=O)NC(C)(C)c1ncon1)-c1ccc(F)cc1
Show InChI InChI=1S/C30H24F4N4O5/c1-29(2,28-36-15-42-38-28)37-26(39)18-6-4-5-17(11-18)20-12-21-23(13-22(20)41-14-30(32,33)34)43-25(24(21)27(40)35-3)16-7-9-19(31)10-8-16/h4-13,15H,14H2,1-3H3,(H,35,40)(H,37,39)
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n/an/a 4.49n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
To evaluate compound efficacy, titrated compounds were transferred to sterile 384-well tissue culture treated plates, and the plates were seeded with...

US Patent US10150747 (2018)


BindingDB Entry DOI: 10.7270/Q2H70HWJ
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus (HCV))		BDBM307553
PNG
(6-(2,2-difluoroethoxy)-2-(4-fluorophenyl)-N-methyl...)
Show SMILES CNC(=O)c1c(oc2cc(OCC(F)F)c(cc12)-c1cccc(c1)C(=O)NC1(CC1)c1ncccn1)-c1ccc(F)cc1
Show InChI InChI=1S/C32H25F3N4O4/c1-36-30(41)27-23-15-22(24(42-17-26(34)35)16-25(23)43-28(27)18-6-8-21(33)9-7-18)19-4-2-5-20(14-19)29(40)39-32(10-11-32)31-37-12-3-13-38-31/h2-9,12-16,26H,10-11,17H2,1H3,(H,36,41)(H,39,40)
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n/an/a 4.54n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
To evaluate compound efficacy, titrated compounds were transferred to sterile 384-well tissue culture treated plates, and the plates were seeded with...

US Patent US10150747 (2018)


BindingDB Entry DOI: 10.7270/Q2H70HWJ
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50578294
PNG
(Bms 813160 | Bms-813160)
Show SMILES CC(=O)N[C@@H]1C[C@@H](CC[C@@H]1N1CC[C@H](Nc2ncnc3cc(nn23)C(C)(C)C)C1=O)NC(C)(C)C
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n/an/a 4.80n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at CCR2 in human whole blood assessed as inhibition of CCL2-induced CD11b upregulation

Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00373
BindingDB Entry DOI: 10.7270/Q2M04981
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus (HCV))		BDBM307541
PNG
(5-(3-((1-Cyanocyclopropyl)carbamoyl)phenyl)-2-(4-f...)
Show SMILES CNC(=O)c1c(oc2cc(OCC(F)(F)F)c(cc12)-c1cccc(c1)C(=O)NC1(CC1)C#N)-c1ccc(F)cc1
Show InChI InChI=1S/C29H21F4N3O4/c1-35-27(38)24-21-12-20(17-3-2-4-18(11-17)26(37)36-28(14-34)9-10-28)22(39-15-29(31,32)33)13-23(21)40-25(24)16-5-7-19(30)8-6-16/h2-8,11-13H,9-10,15H2,1H3,(H,35,38)(H,36,37)
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n/an/a 4.97n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
To evaluate compound efficacy, titrated compounds were transferred to sterile 384-well tissue culture treated plates, and the plates were seeded with...

US Patent US10150747 (2018)


BindingDB Entry DOI: 10.7270/Q2H70HWJ
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus (HCV))		BDBM307539
PNG
(5-(3-((2-(1,2,4-Oxadiazol-3-yl)propan-2-yl)carbamo...)
Show SMILES CCOc1cc2oc(c(C(=O)NC)c2cc1-c1cccc(c1)C(=O)NC(C)(C)c1ncon1)-c1ccc(F)cc1
Show InChI InChI=1S/C30H27FN4O5/c1-5-38-23-15-24-22(25(28(37)32-4)26(40-24)17-9-11-20(31)12-10-17)14-21(23)18-7-6-8-19(13-18)27(36)34-30(2,3)29-33-16-39-35-29/h6-16H,5H2,1-4H3,(H,32,37)(H,34,36)
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n/an/a 5.05n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
To evaluate compound efficacy, titrated compounds were transferred to sterile 384-well tissue culture treated plates, and the plates were seeded with...

US Patent US10150747 (2018)


BindingDB Entry DOI: 10.7270/Q2H70HWJ
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))		BDBM50578294
PNG
(Bms 813160 | Bms-813160)
Show SMILES CC(=O)N[C@@H]1C[C@@H](CC[C@@H]1N1CC[C@H](Nc2ncnc3cc(nn23)C(C)(C)C)C1=O)NC(C)(C)C
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n/an/a 5.70n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at CCR5 in human whole blood assessed as inhibition of MIP-1beta-induced CD11b upregulation

Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00373
BindingDB Entry DOI: 10.7270/Q2M04981
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus (HCV))		BDBM307540
PNG
(6-Ethoxy-2-(4-fluorophenyl)-N-methyl-5-(3-((1-(pyr...)
Show SMILES CCOc1cc2oc(c(C(=O)NC)c2cc1-c1cccc(c1)C(=O)NC1(CC1)c1ncccn1)-c1ccc(F)cc1
Show InChI InChI=1S/C32H27FN4O4/c1-3-40-25-18-26-24(27(30(39)34-2)28(41-26)19-8-10-22(33)11-9-19)17-23(25)20-6-4-7-21(16-20)29(38)37-32(12-13-32)31-35-14-5-15-36-31/h4-11,14-18H,3,12-13H2,1-2H3,(H,34,39)(H,37,38)
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n/an/a 5.78n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
To evaluate compound efficacy, titrated compounds were transferred to sterile 384-well tissue culture treated plates, and the plates were seeded with...

US Patent US10150747 (2018)


BindingDB Entry DOI: 10.7270/Q2H70HWJ
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus (HCV))		BDBM307565
PNG
(5-(3-((2-(3H-imidazo[4,5-c]pyridin-2-yl)propan-2-y...)
Show SMILES CCOc1cc2oc(c(C(=O)NC)c2cc1-c1cccc(c1)C(=O)NC(C)(C)c1nc2ccncc2[nH]1)-c1ccc(F)cc1
Show InChI InChI=1S/C34H30FN5O4/c1-5-43-27-17-28-24(29(32(42)36-4)30(44-28)19-9-11-22(35)12-10-19)16-23(27)20-7-6-8-21(15-20)31(41)40-34(2,3)33-38-25-13-14-37-18-26(25)39-33/h6-18H,5H2,1-4H3,(H,36,42)(H,38,39)(H,40,41)
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n/an/a 6.01n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
To evaluate compound efficacy, titrated compounds were transferred to sterile 384-well tissue culture treated plates, and the plates were seeded with...

US Patent US10150747 (2018)


BindingDB Entry DOI: 10.7270/Q2H70HWJ
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50578294
PNG
(Bms 813160 | Bms-813160)
Show SMILES CC(=O)N[C@@H]1C[C@@H](CC[C@@H]1N1CC[C@H](Nc2ncnc3cc(nn23)C(C)(C)C)C1=O)NC(C)(C)C
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n/an/a 6.20n/an/an/an/an/an/a


TBA

Assay Description
Displacement of [125I]-CCL2 from CCR2 in human PBMC cells

Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00373
BindingDB Entry DOI: 10.7270/Q2M04981
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus (HCV))		BDBM307556
PNG
(5-(3-((2-(1,2,4-Oxadiazol-3-yl)propan-2-yl)carbamo...)
Show SMILES CNC(=O)c1c(oc2cc(OC(C)C)c(cc12)-c1ccc(OC)c(c1)C(=O)NC(C)(C)c1ncon1)-c1ccc(F)cc1
Show InChI InChI=1S/C32H31FN4O6/c1-17(2)42-25-15-26-22(27(30(39)34-5)28(43-26)18-7-10-20(33)11-8-18)14-21(25)19-9-12-24(40-6)23(13-19)29(38)36-32(3,4)31-35-16-41-37-31/h7-17H,1-6H3,(H,34,39)(H,36,38)
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n/an/a 7.14n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
To evaluate compound efficacy, titrated compounds were transferred to sterile 384-well tissue culture treated plates, and the plates were seeded with...

US Patent US10150747 (2018)


BindingDB Entry DOI: 10.7270/Q2H70HWJ
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus (HCV))		BDBM307534
PNG
(2-(4-Fluorophenyl)-N-methyl-5-(3-((1-(pyrimidin-2-...)
Show SMILES CNC(=O)c1c(oc2cc(OCC(F)(F)F)c(cc12)-c1cccc(c1)C(=O)NC1(CC1)c1ncccn1)-c1ccc(F)cc1
Show InChI InChI=1S/C32H24F4N4O4/c1-37-29(42)26-23-15-22(19-4-2-5-20(14-19)28(41)40-31(10-11-31)30-38-12-3-13-39-30)24(43-17-32(34,35)36)16-25(23)44-27(26)18-6-8-21(33)9-7-18/h2-9,12-16H,10-11,17H2,1H3,(H,37,42)(H,40,41)
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n/an/a 7.42n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
To evaluate compound efficacy, titrated compounds were transferred to sterile 384-well tissue culture treated plates, and the plates were seeded with...

US Patent US10150747 (2018)


BindingDB Entry DOI: 10.7270/Q2H70HWJ
More data for this
Ligand-Target Pair
Cytochrome P450 2C8


(Homo sapiens (Human))		BDBM50239250
PNG
(CHEMBL4086080)
Show SMILES CNC(=O)c1c(oc2ccc(cc12)-c1cc(ccc1C)C(=O)NC1(CC1)c1ccncc1)-c1ccc(F)cc1
Show InChI InChI=1S/C32H26FN3O3/c1-19-3-4-22(30(37)36-32(13-14-32)23-11-15-35-16-12-23)18-25(19)21-7-10-27-26(17-21)28(31(38)34-2)29(39-27)20-5-8-24(33)9-6-20/h3-12,15-18H,13-14H2,1-2H3,(H,34,38)(H,36,37)
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n/an/a 26n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of microsomal CYP2C8 (unknown origin)

J Med Chem 60: 4369-4385 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00328
BindingDB Entry DOI: 10.7270/Q20R9RKB
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus (HCV))		BDBM307559
PNG
(5-(3-((2-(1,2,4-oxadiazol-3-yl)propan-2-yl)carbamo...)
Show SMILES CNC(=O)c1c(oc2cc(OCC(C)C)c(cc12)-c1ccc(OC)c(c1)C(=O)NC(C)(C)c1ncon1)-c1ccc(F)cc1
Show InChI InChI=1S/C33H33FN4O6/c1-18(2)16-42-26-15-27-23(28(31(40)35-5)29(44-27)19-7-10-21(34)11-8-19)14-22(26)20-9-12-25(41-6)24(13-20)30(39)37-33(3,4)32-36-17-43-38-32/h7-15,17-18H,16H2,1-6H3,(H,35,40)(H,37,39)
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n/an/a 30n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
To evaluate compound efficacy, titrated compounds were transferred to sterile 384-well tissue culture treated plates, and the plates were seeded with...

US Patent US10150747 (2018)


BindingDB Entry DOI: 10.7270/Q2H70HWJ
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))		BDBM50557872
PNG
(CHEMBL4781426)
Show SMILES CC(=O)N[C@@H]1C[C@@H](CC[C@@H]1N1CC[C@H](Nc2ncnc3ccc(cc23)C(F)(F)F)C1=O)NC(C)(C)C |r|
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n/an/a 35n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at CCR5 in human whole blood assessed as inhibition of MIP-1beta-induced CD11b upregulation

Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00373
BindingDB Entry DOI: 10.7270/Q2M04981
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Mus musculus)		BDBM50578294
PNG
(Bms 813160 | Bms-813160)
Show SMILES CC(=O)N[C@@H]1C[C@@H](CC[C@@H]1N1CC[C@H](Nc2ncnc3cc(nn23)C(C)(C)C)C1=O)NC(C)(C)C
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n/an/a 45n/an/an/an/an/an/a


TBA

Assay Description
Displacement of [125I]-CCL2 from mouse CCR2

Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00373
BindingDB Entry DOI: 10.7270/Q2M04981
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))		BDBM50239251
PNG
(CHEMBL4096241)
Show SMILES CNC(=O)c1c(oc2ccc(cc12)-c1cc(ccc1C)C(=O)NC1(CC1)c1cccnc1)-c1ccc(F)cc1
Show InChI InChI=1S/C32H26FN3O3/c1-19-5-6-22(30(37)36-32(13-14-32)23-4-3-15-35-18-23)17-25(19)21-9-12-27-26(16-21)28(31(38)34-2)29(39-27)20-7-10-24(33)11-8-20/h3-12,15-18H,13-14H2,1-2H3,(H,34,38)(H,36,37)
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n/an/a 63n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of microsomal CYP3A4 (unknown origin)

J Med Chem 60: 4369-4385 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00328
BindingDB Entry DOI: 10.7270/Q20R9RKB
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))		BDBM50239250
PNG
(CHEMBL4086080)
Show SMILES CNC(=O)c1c(oc2ccc(cc12)-c1cc(ccc1C)C(=O)NC1(CC1)c1ccncc1)-c1ccc(F)cc1
Show InChI InChI=1S/C32H26FN3O3/c1-19-3-4-22(30(37)36-32(13-14-32)23-11-15-35-16-12-23)18-25(19)21-7-10-27-26(17-21)28(31(38)34-2)29(39-27)20-5-8-24(33)9-6-20/h3-12,15-18H,13-14H2,1-2H3,(H,34,38)(H,36,37)
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n/an/a 73n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of microsomal CYP3A4 (unknown origin)

J Med Chem 60: 4369-4385 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00328
BindingDB Entry DOI: 10.7270/Q20R9RKB
More data for this
Ligand-Target Pair
Cytochrome P450 2C8


(Homo sapiens (Human))		BDBM50239251
PNG
(CHEMBL4096241)
Show SMILES CNC(=O)c1c(oc2ccc(cc12)-c1cc(ccc1C)C(=O)NC1(CC1)c1cccnc1)-c1ccc(F)cc1
Show InChI InChI=1S/C32H26FN3O3/c1-19-5-6-22(30(37)36-32(13-14-32)23-4-3-15-35-18-23)17-25(19)21-9-12-27-26(16-21)28(31(38)34-2)29(39-27)20-7-10-24(33)11-8-20/h3-12,15-18H,13-14H2,1-2H3,(H,34,38)(H,36,37)
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n/an/a 350n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of microsomal CYP2C8 (unknown origin)

J Med Chem 60: 4369-4385 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00328
BindingDB Entry DOI: 10.7270/Q20R9RKB
More data for this
Ligand-Target Pair
Cytochrome P450 2C8


(Homo sapiens (Human))		BDBM50239252
PNG
(CHEMBL4078188)
Show SMILES CNC(=O)c1c(oc2ccc(cc12)-c1cc(ccc1C)C(=O)NC1(CC1)c1ccccn1)-c1ccc(F)cc1
Show InChI InChI=1S/C32H26FN3O3/c1-19-6-7-22(30(37)36-32(14-15-32)27-5-3-4-16-35-27)18-24(19)21-10-13-26-25(17-21)28(31(38)34-2)29(39-26)20-8-11-23(33)12-9-20/h3-13,16-18H,14-15H2,1-2H3,(H,34,38)(H,36,37)
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n/an/a 1.00E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of microsomal CYP2C8 (unknown origin)

J Med Chem 60: 4369-4385 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00328
BindingDB Entry DOI: 10.7270/Q20R9RKB
More data for this
Ligand-Target Pair
Cytochrome P450 2C8


(Homo sapiens (Human))		BDBM50239253
PNG
(CHEMBL4088517)
Show SMILES CNC(=O)c1c(oc2ccc(cc12)-c1cc(ccc1C)C(=O)NC1(CC1)c1ccccc1)-c1ccc(F)cc1
Show InChI InChI=1S/C33H27FN2O3/c1-20-8-9-23(31(37)36-33(16-17-33)24-6-4-3-5-7-24)19-26(20)22-12-15-28-27(18-22)29(32(38)35-2)30(39-28)21-10-13-25(34)14-11-21/h3-15,18-19H,16-17H2,1-2H3,(H,35,38)(H,36,37)
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n/an/a 1.50E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of microsomal CYP2C8 (unknown origin)

J Med Chem 60: 4369-4385 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00328
BindingDB Entry DOI: 10.7270/Q20R9RKB
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))		BDBM50239253
PNG
(CHEMBL4088517)
Show SMILES CNC(=O)c1c(oc2ccc(cc12)-c1cc(ccc1C)C(=O)NC1(CC1)c1ccccc1)-c1ccc(F)cc1
Show InChI InChI=1S/C33H27FN2O3/c1-20-8-9-23(31(37)36-33(16-17-33)24-6-4-3-5-7-24)19-26(20)22-12-15-28-27(18-22)29(32(38)35-2)30(39-28)21-10-13-25(34)14-11-21/h3-15,18-19H,16-17H2,1-2H3,(H,35,38)(H,36,37)
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n/an/a 2.10E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of microsomal CYP3A4 (unknown origin)

J Med Chem 60: 4369-4385 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00328
BindingDB Entry DOI: 10.7270/Q20R9RKB
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus (HCV))		BDBM307557
PNG
(5-(3-((2-(1,2,4-oxadiazol-3-yl)propan-2-yl)carbamo...)
Show SMILES CCOc1cc2oc(c(C(=O)NC)c2cc1-c1ccc(CC)c(c1)C(=O)NC(C)(C)c1ncon1)-c1ccc(F)cc1
Show InChI InChI=1S/C32H31FN4O5/c1-6-18-8-9-20(14-23(18)29(38)36-32(3,4)31-35-17-41-37-31)22-15-24-26(16-25(22)40-7-2)42-28(27(24)30(39)34-5)19-10-12-21(33)13-11-19/h8-17H,6-7H2,1-5H3,(H,34,39)(H,36,38)
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n/an/a>2.50E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
To evaluate compound efficacy, titrated compounds were transferred to sterile 384-well tissue culture treated plates, and the plates were seeded with...

US Patent US10150747 (2018)


BindingDB Entry DOI: 10.7270/Q2H70HWJ
More data for this
Ligand-Target Pair
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