Compile Data Set for Download or QSAR

Found 3197 hits with Last Name = 'lapointe' and Initial = 'bt'   

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
Leucine-rich repeat serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM50609728 (CHEMBL5267350) Show SMILES C[C@H]1CN(C[C@@H](C)O1)c1cc(ccn1)-c1n[nH]c2ccc(cc12)-c1cnn(C)c1 |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	UniChem		n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM50609742 (CHEMBL5286106) Show SMILES CC(C)(O)[C@]12CC(C1)N(C2)c1cc(ncn1)-n1ncc2ccc(cc12)[C@@]1(CC11CC1)C#N |r,wU:25.29,wD:4.3,(6.77,.49,;6.77,-1.06,;5.44,-.29,;8.31,-.98,;6.07,-2.43,;5.67,-3.91,;4.14,-4,;4.54,-2.51,;3.59,-2.56,;4.78,-1.59,;2.1,-2.16,;1.7,-.68,;.21,-.28,;-.88,-1.37,;-.47,-2.85,;1.01,-3.25,;-.18,1.21,;.72,2.46,;-.18,3.7,;-1.65,3.23,;-2.98,4,;-4.31,3.23,;-4.31,1.68,;-2.97,.92,;-1.65,1.69,;-5.64,.91,;-6.42,-.43,;-4.87,-.43,;-4.1,-1.76,;-3.33,-.43,;-6.98,1.68,;-8.31,2.45,)| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	UniChem		n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM50609742 (CHEMBL5286106) Show SMILES CC(C)(O)[C@]12CC(C1)N(C2)c1cc(ncn1)-n1ncc2ccc(cc12)[C@@]1(CC11CC1)C#N |r,wU:25.29,wD:4.3,(6.77,.49,;6.77,-1.06,;5.44,-.29,;8.31,-.98,;6.07,-2.43,;5.67,-3.91,;4.14,-4,;4.54,-2.51,;3.59,-2.56,;4.78,-1.59,;2.1,-2.16,;1.7,-.68,;.21,-.28,;-.88,-1.37,;-.47,-2.85,;1.01,-3.25,;-.18,1.21,;.72,2.46,;-.18,3.7,;-1.65,3.23,;-2.98,4,;-4.31,3.23,;-4.31,1.68,;-2.97,.92,;-1.65,1.69,;-5.64,.91,;-6.42,-.43,;-4.87,-.43,;-4.1,-1.76,;-3.33,-.43,;-6.98,1.68,;-8.31,2.45,)| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	UniChem		n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM50609741 (CHEMBL5284341) Show SMILES CC(C)(O)C12CC(C1)N(C2)c1cc(ncn1)-n1ncc2ccc(cc12)[C@@]1(CC11CC1)C#N |r,wU:25.29,(6.77,.49,;6.77,-1.06,;5.44,-.29,;8.31,-.98,;6.07,-2.43,;4.54,-2.51,;4.14,-4,;5.68,-3.91,;3.59,-2.56,;4.78,-1.59,;2.1,-2.16,;1.7,-.68,;.21,-.28,;-.88,-1.37,;-.47,-2.86,;1.01,-3.25,;-.18,1.21,;.72,2.46,;-.18,3.7,;-1.65,3.23,;-2.98,4,;-4.31,3.23,;-4.31,1.68,;-2.97,.92,;-1.65,1.69,;-5.64,.91,;-6.42,-.43,;-4.87,-.43,;-4.1,-1.76,;-3.33,-.43,;-6.98,1.68,;-8.31,2.45,)| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	UniChem		n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM359544 (4-{(6R or S)-1-({2- chloro-6-[1- (difluoromethyl)c...) Show SMILES COC1CN(C1)C(=O)C1CCc2c(C1)n(nc2-c1ccc(cc1F)C(O)=O)C(=O)c1c(Cl)cccc1C1(CC1)C(F)F Show InChI InChI=1S/C30H27ClF3N3O5/c1-42-17-13-36(14-17)26(38)15-5-8-19-23(12-15)37(35-25(19)18-7-6-16(28(40)41)11-22(18)32)27(39)24-20(3-2-4-21(24)31)30(9-10-30)29(33)34/h2-4,6-7,11,15,17,29H,5,8-10,12-14H2,1H3,(H,40,41)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description The compounds of the invention inhibit RORgammaT activity. Activation of RORgammaT activity can be measured using, e.g., biochemical TR-FRET assay. I...				US Patent US10221142 (2019) BindingDB Entry DOI: 10.7270/Q2M90BZ0
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM359566 ((R or S)-4-(1-(2- chloro-6-(1- (trifluoromethyl)cy...) Show SMILES Cn1ncc2CN(Cc12)C(=O)C1CCc2c(C1)n(nc2-c1ccc(cc1F)C(O)=O)C(=O)c1c(Cl)cccc1C1(CC1)C(F)(F)F Show InChI InChI=1S/C32H26ClF4N5O4/c1-40-25-15-41(14-18(25)13-38-40)28(43)16-5-8-20-24(12-16)42(39-27(20)19-7-6-17(30(45)46)11-23(19)34)29(44)26-21(3-2-4-22(26)33)31(9-10-31)32(35,36)37/h2-4,6-7,11,13,16H,5,8-10,12,14-15H2,1H3,(H,45,46)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description The compounds of the invention inhibit RORgammaT activity. Activation of RORgammaT activity can be measured using, e.g., biochemical TR-FRET assay. I...				US Patent US10221142 (2019) BindingDB Entry DOI: 10.7270/Q2M90BZ0
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM359568 ((R or S)-4-(1-(2- chloro-6-(1- (trifluoromethyl)cy...) Show SMILES Cn1cc2CN(CCc2n1)C(=O)C1CCc2c(C1)n(nc2-c1ccc(cc1F)C(O)=O)C(=O)c1c(Cl)cccc1C1(CC1)C(F)(F)F Show InChI InChI=1S/C33H28ClF4N5O4/c1-41-15-19-16-42(12-9-25(19)39-41)29(44)17-5-8-21-26(14-17)43(40-28(21)20-7-6-18(31(46)47)13-24(20)35)30(45)27-22(3-2-4-23(27)34)32(10-11-32)33(36,37)38/h2-4,6-7,13,15,17H,5,8-12,14,16H2,1H3,(H,46,47)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description The compounds of the invention inhibit RORgammaT activity. Activation of RORgammaT activity can be measured using, e.g., biochemical TR-FRET assay. I...				US Patent US10221142 (2019) BindingDB Entry DOI: 10.7270/Q2M90BZ0
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM359569 ((R or S)-4-(1-(2- chloro-6-(1- (trifluoromethyl)cy...) Show SMILES OC(=O)c1ccc(-c2nn(C(=O)c3c(Cl)cccc3C3(CC3)C(F)(F)F)c3CC(CCc23)C(=O)N2CCn3ncnc3C2)c(F)c1 Show InChI InChI=1S/C31H25ClF4N6O4/c32-21-3-1-2-20(30(8-9-30)31(34,35)36)25(21)28(44)42-23-13-16(27(43)40-10-11-41-24(14-40)37-15-38-41)4-7-19(23)26(39-42)18-6-5-17(29(45)46)12-22(18)33/h1-3,5-6,12,15-16H,4,7-11,13-14H2,(H,45,46)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description The compounds of the invention inhibit RORgammaT activity. Activation of RORgammaT activity can be measured using, e.g., biochemical TR-FRET assay. I...				US Patent US10221142 (2019) BindingDB Entry DOI: 10.7270/Q2M90BZ0
					More data for this Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM257207 (US9493440, 51) Show SMILES C[C@H]1CN(C[C@@H](C)O1)c1cc(ncn1)-c1n[nH]c2ccc(OC3(C)CC3)cc12 |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair				3D Structure (crystal)
Leucine-rich repeat serine/threonine-protein kinase 2 [1-1200,1251-2527,G2019S] (Homo sapiens (Human))	BDBM523028 (US11161854, Example 2.4-1 | US11161854, Example 2....) Show SMILES Cc1nc(cc(n1)-n1ncc2ccc(cc12)C1(CC11CC1)C#N)N1CC2(CC1C2)C(C)(C)O |(-1.62,-2.9,;-.59,-1.75,;.92,-2.07,;1.95,-.93,;1.47,.53,;-.03,.85,;-1.06,-.29,;-.51,2.32,;.4,3.57,;-.51,4.81,;-1.97,4.34,;-3.31,5.11,;-4.64,4.34,;-4.64,2.8,;-3.31,2.03,;-1.97,2.8,;-5.97,2.03,;-6.74,.69,;-5.2,.69,;-4.43,-.64,;-3.66,.69,;-7.06,3.11,;-8.15,4.2,;3.46,-1.25,;4.08,-2.66,;5.61,-2.5,;5.93,-.99,;4.6,-.22,;4.6,-1.76,;6.64,-3.64,;8.15,-3.32,;6.17,-5.11,;7.12,-2.18,)| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The LRRK2 kinase activity reported herein as IC50 values was determined with LanthaScreen™ technology from Life Technologies Corporation (Carlsbad, C...				Citation and Details BindingDB Entry DOI: 10.7270/Q29K4FC3
					More data for this Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 [1-1200,1251-2527,G2019S] (Homo sapiens (Human))	BDBM523096 (US11161854, Example 4.20) Show SMILES COCc1cc(nc(N)n1)-n1ncc2ccc(cc12)[C@@]1(CC11CC1)C#N |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The LRRK2 kinase activity reported herein as IC50 values was determined with LanthaScreen™ technology from Life Technologies Corporation (Carlsbad, C...				Citation and Details BindingDB Entry DOI: 10.7270/Q29K4FC3
					More data for this Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 [1-1200,1251-2527,G2019S] (Homo sapiens (Human))	BDBM523095 (US11161854, Example 4.19) Show SMILES Cc1cc(nc(N)n1)-n1ncc2ccc(cc12)[C@@]1(CC11CC1)C#N |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The LRRK2 kinase activity reported herein as IC50 values was determined with LanthaScreen™ technology from Life Technologies Corporation (Carlsbad, C...				Citation and Details BindingDB Entry DOI: 10.7270/Q29K4FC3
					More data for this Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 [1-1200,1251-2527,G2019S] (Homo sapiens (Human))	BDBM523093 (US11161854, Example 4.17) Show SMILES Cc1nc(cc(n1)-n1ncc2ccc(cc12)[C@@]1(CC11CC1)C#N)N1CCN2CCOC[C@@H]2C1 |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The LRRK2 kinase activity reported herein as IC50 values was determined with LanthaScreen™ technology from Life Technologies Corporation (Carlsbad, C...				Citation and Details BindingDB Entry DOI: 10.7270/Q29K4FC3
					More data for this Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 [1-1200,1251-2527,G2019S] (Homo sapiens (Human))	BDBM523092 (US11161854, Example 4.16) Show SMILES Cc1nc(cc(n1)-n1ncc2c(F)cc(cc12)C1(CC11CC1)C#N)N1CC2(CC1C2)C(C)(C)O |(-1.92,-4.77,;-.88,-3.63,;.62,-3.95,;1.65,-2.8,;1.18,-1.34,;-.33,-1.02,;-1.36,-2.16,;-.81,.45,;.1,1.69,;-.81,2.94,;-2.27,2.46,;-3.6,3.23,;-3.6,4.77,;-4.94,2.46,;-4.94,.92,;-3.6,.15,;-2.27,.92,;-6.27,.15,;-7.04,-1.18,;-5.5,-1.18,;-4.73,-2.52,;-3.96,-1.18,;-7.36,1.24,;-8.45,2.33,;3.16,-3.12,;4.3,-2.09,;5.64,-2.86,;5.32,-4.37,;3.78,-4.53,;4.55,-3.2,;7.04,-2.24,;8.29,-3.14,;7.2,-.71,;8.45,-1.61,)| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The LRRK2 kinase activity reported herein as IC50 values was determined with LanthaScreen™ technology from Life Technologies Corporation (Carlsbad, C...				Citation and Details BindingDB Entry DOI: 10.7270/Q29K4FC3
					More data for this Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 [1-1200,1251-2527,G2019S] (Homo sapiens (Human))	BDBM523088 (US11161854, Example 4.13) Show SMILES CN1CCOC2(CN(C2)c2cc(ncn2)-n2ncc3ccc(cc23)[C@@]2(CC22CC2)C#N)C1 |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The LRRK2 kinase activity reported herein as IC50 values was determined with LanthaScreen™ technology from Life Technologies Corporation (Carlsbad, C...				Citation and Details BindingDB Entry DOI: 10.7270/Q29K4FC3
					More data for this Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 [1-1200,1251-2527,G2019S] (Homo sapiens (Human))	BDBM523087 (US11161854, Example 4.12-2) Show SMILES CC(C)(O)[C@@H]1CN(C[C@@H]1F)c1cc(ncn1)-n1ncc2ccc(cc12)[C@@]1(CC11CC1)C#N |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The LRRK2 kinase activity reported herein as IC50 values was determined with LanthaScreen™ technology from Life Technologies Corporation (Carlsbad, C...				Citation and Details BindingDB Entry DOI: 10.7270/Q29K4FC3
					More data for this Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 [1-1200,1251-2527,G2019S] (Homo sapiens (Human))	BDBM523040 (US11161854, Example 3.3 | US11161854, Example 4.10) Show SMILES COCc1nc(cc(n1)-n1ncc2ccc(cc12)[C@@]1(CC11CC1)C#N)N1C[C@H](C)[C@](C)(O)[C@H](C)C1 |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The LRRK2 kinase activity reported herein as IC50 values was determined with LanthaScreen™ technology from Life Technologies Corporation (Carlsbad, C...				Citation and Details BindingDB Entry DOI: 10.7270/Q29K4FC3
					More data for this Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 [1-1200,1251-2527,G2019S] (Homo sapiens (Human))	BDBM523081 (US11161854, Example 4.9-1 | US11161854, Example 4....) Show SMILES OCC1CN(CCO1)c1cc(ncn1)-n1ncc2ccc(cc12)[C@@]1(CC11CC1)C#N |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The LRRK2 kinase activity reported herein as IC50 values was determined with LanthaScreen™ technology from Life Technologies Corporation (Carlsbad, C...				Citation and Details BindingDB Entry DOI: 10.7270/Q29K4FC3
					More data for this Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 [1-1200,1251-2527,G2019S] (Homo sapiens (Human))	BDBM523081 (US11161854, Example 4.9-1 | US11161854, Example 4....) Show SMILES OCC1CN(CCO1)c1cc(ncn1)-n1ncc2ccc(cc12)[C@@]1(CC11CC1)C#N |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The LRRK2 kinase activity reported herein as IC50 values was determined with LanthaScreen™ technology from Life Technologies Corporation (Carlsbad, C...				Citation and Details BindingDB Entry DOI: 10.7270/Q29K4FC3
					More data for this Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 [1-1200,1251-2527,G2019S] (Homo sapiens (Human))	BDBM523076 (US11161854, Example 4.4) Show SMILES CC(C)(O)C1CN(C1)c1cc(ncn1)-n1ncc2ccc(cc12)[C@@]1(CC11CC1)C#N |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The LRRK2 kinase activity reported herein as IC50 values was determined with LanthaScreen™ technology from Life Technologies Corporation (Carlsbad, C...				Citation and Details BindingDB Entry DOI: 10.7270/Q29K4FC3
					More data for this Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 [1-1200,1251-2527,G2019S] (Homo sapiens (Human))	BDBM523074 (US11161854, Example 4.3-1 | US11161854, Example 4....) Show SMILES CC(C)(O)C1CN(CCO1)c1cc(ncn1)-n1ncc2ccc(cc12)[C@@]1(CC11CC1)C#N |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The LRRK2 kinase activity reported herein as IC50 values was determined with LanthaScreen™ technology from Life Technologies Corporation (Carlsbad, C...				Citation and Details BindingDB Entry DOI: 10.7270/Q29K4FC3
					More data for this Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 [1-1200,1251-2527,G2019S] (Homo sapiens (Human))	BDBM523072 (US11161854, Example 4.1) Show SMILES C[C@H]1CN(C[C@@H](C)N1C1COC1)c1cc(ncn1)-n1ncc2ccc(cc12)[C@@]1(CC11CC1)C#N |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The LRRK2 kinase activity reported herein as IC50 values was determined with LanthaScreen™ technology from Life Technologies Corporation (Carlsbad, C...				Citation and Details BindingDB Entry DOI: 10.7270/Q29K4FC3
					More data for this Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 [1-1200,1251-2527,G2019S] (Homo sapiens (Human))	BDBM523069 (US11161854, Example 3.11-2 | US11161854, Example 3...) Show SMILES OC1CN(CC11CC1)c1cc(ncn1)-n1ncc2ccc(cc12)[C@@]1(CC11CC1)C#N |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The LRRK2 kinase activity reported herein as IC50 values was determined with LanthaScreen™ technology from Life Technologies Corporation (Carlsbad, C...				Citation and Details BindingDB Entry DOI: 10.7270/Q29K4FC3
					More data for this Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 [1-1200,1251-2527,G2019S] (Homo sapiens (Human))	BDBM523061 (US11161854, Example 3.8-4) Show SMILES C[C@H]1CN(CCN1C1CCOC1)c1cc(ncn1)-n1ncc2ccc(cc12)[C@@]1(CC11CC1)C#N |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The LRRK2 kinase activity reported herein as IC50 values was determined with LanthaScreen™ technology from Life Technologies Corporation (Carlsbad, C...				Citation and Details BindingDB Entry DOI: 10.7270/Q29K4FC3
					More data for this Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 [1-1200,1251-2527,G2019S] (Homo sapiens (Human))	BDBM523051 (US11161854, Example 3.6-2 | US11161854, Example 3....) Show SMILES CC1CN(CC1C(C)(C)O)c1cc(ncn1)-n1ncc2ccc(cc12)[C@@]1(CC11CC1)C#N |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The LRRK2 kinase activity reported herein as IC50 values was determined with LanthaScreen™ technology from Life Technologies Corporation (Carlsbad, C...				Citation and Details BindingDB Entry DOI: 10.7270/Q29K4FC3
					More data for this Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 [1-1200,1251-2527,G2019S] (Homo sapiens (Human))	BDBM523042 (US11161854, Example 3.5-1 | US11161854, Example 3....) Show SMILES CC1C(CCN1c1cc(ncn1)-n1ncc2ccc(cc12)[C@]1(CC11CC1)C#N)C(C)(C)O |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The LRRK2 kinase activity reported herein as IC50 values was determined with LanthaScreen™ technology from Life Technologies Corporation (Carlsbad, C...				Citation and Details BindingDB Entry DOI: 10.7270/Q29K4FC3
					More data for this Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 [1-1200,1251-2527,G2019S] (Homo sapiens (Human))	BDBM523038 (US11161854, Example 3.1-2) Show SMILES C[C@@H]1CN(CCN1C1COC1)c1cc(ncn1)-n1ncc2ccc(cc12)[C@@]1(CC11CC1)C#N |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The LRRK2 kinase activity reported herein as IC50 values was determined with LanthaScreen™ technology from Life Technologies Corporation (Carlsbad, C...				Citation and Details BindingDB Entry DOI: 10.7270/Q29K4FC3
					More data for this Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 [1-1200,1251-2527,G2019S] (Homo sapiens (Human))	BDBM523034 (US11161854, Example 2.7-1 | US11161854, Example 2....) Show SMILES CNc1nc(cc(n1)-n1ncc2ccc(cc12)C1(CC11CC1)C#N)N1CC2(CC1C2)C(C)(C)O |THB:4:24:27:29,(-4.92,1.29,;-3.89,.15,;-2.38,.47,;-1.9,1.93,;-.4,2.25,;.63,1.11,;.16,-.36,;-1.35,-.68,;1.19,-1.5,;2.72,-1.34,;3.35,-2.75,;2.2,-3.78,;2.2,-5.32,;.87,-6.09,;-.47,-5.32,;-.47,-3.78,;.87,-3.01,;-1.8,-6.09,;-3.32,-6.36,;-2.79,-4.91,;-3.78,-3.73,;-2.26,-3.46,;-1.27,-7.54,;-.75,-8.98,;.08,3.72,;-.9,4.84,;.59,5.2,;1.96,6,;1.49,4.04,;2.93,3.48,;.02,6.63,;-.56,8.06,;1.44,7.21,;-1.41,6.05,)| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The LRRK2 kinase activity reported herein as IC50 values was determined with LanthaScreen™ technology from Life Technologies Corporation (Carlsbad, C...				Citation and Details BindingDB Entry DOI: 10.7270/Q29K4FC3
					More data for this Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 [1-1200,1251-2527,G2019S] (Homo sapiens (Human))	BDBM523131 (US11161854, Example 11.2) Show SMILES CN1CCOC2CN(C[C@@H]12)c1cc(nc(C)n1)-n1ncc2ccc(cc12)[C@@]1(CC11CC1)C#N |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The LRRK2 kinase activity reported herein as IC50 values was determined with LanthaScreen™ technology from Life Technologies Corporation (Carlsbad, C...				Citation and Details BindingDB Entry DOI: 10.7270/Q29K4FC3
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM359571 ((R or S)-4-(1-(2- chloro-6-(1- (trifluoromethyl)c...) Show SMILES CN(C(=O)C1CCc2c(C1)n(nc2-c1ccc(cc1F)C(O)=O)C(=O)c1c(Cl)cccc1C1(CC1)C(F)(F)F)c1cnn(C)c1 Show InChI InChI=1S/C31H26ClF4N5O4/c1-39-15-18(14-37-39)40(2)27(42)16-6-9-20-24(13-16)41(38-26(20)19-8-7-17(29(44)45)12-23(19)33)28(43)25-21(4-3-5-22(25)32)30(10-11-30)31(34,35)36/h3-5,7-8,12,14-16H,6,9-11,13H2,1-2H3,(H,44,45)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description The compounds of the invention inhibit RORgammaT activity. Activation of RORgammaT activity can be measured using, e.g., biochemical TR-FRET assay. I...				US Patent US10221142 (2019) BindingDB Entry DOI: 10.7270/Q2M90BZ0
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM359543 (4-[(6R or S)-1-({2- chloro-6-[1- (trifluoromethyl)...) Show SMILES OC(=O)c1ccc(-c2nn(C(=O)c3c(Cl)cccc3C3(CC3)C(F)(F)F)c3CC(CCc23)C(=O)N2CCC3(CCCO3)C2)c(F)c1 Show InChI InChI=1S/C33H30ClF4N3O5/c34-23-4-1-3-22(32(10-11-32)33(36,37)38)26(23)29(43)41-25-16-18(28(42)40-13-12-31(17-40)9-2-14-46-31)5-8-21(25)27(39-41)20-7-6-19(30(44)45)15-24(20)35/h1,3-4,6-7,15,18H,2,5,8-14,16-17H2,(H,44,45)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description The compounds of the invention inhibit RORgammaT activity. Activation of RORgammaT activity can be measured using, e.g., biochemical TR-FRET assay. I...				US Patent US10221142 (2019) BindingDB Entry DOI: 10.7270/Q2M90BZ0
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM359545 (4-{(6R or S)-1-({2- chloro-6-[1- (trifluoromethyl)...) Show SMILES COC1(C)CN(C1)C(=O)C1CCc2c(C1)n(nc2-c1ccc(cc1F)C(O)=O)C(=O)c1c(Cl)cccc1C1(CC1)C(F)(F)F Show InChI InChI=1S/C31H28ClF4N3O5/c1-29(44-2)14-38(15-29)26(40)16-6-9-19-23(13-16)39(37-25(19)18-8-7-17(28(42)43)12-22(18)33)27(41)24-20(4-3-5-21(24)32)30(10-11-30)31(34,35)36/h3-5,7-8,12,16H,6,9-11,13-15H2,1-2H3,(H,42,43)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description The compounds of the invention inhibit RORgammaT activity. Activation of RORgammaT activity can be measured using, e.g., biochemical TR-FRET assay. I...				US Patent US10221142 (2019) BindingDB Entry DOI: 10.7270/Q2M90BZ0
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM359548 (4-{(6R or S)-1-({2- chloro-6-[1- (difluoromethyl)c...) Show SMILES COC1(C)CN(C1)C(=O)C1CCc2c(C1)n(nc2-c1ccc(cc1F)C(O)=O)C(=O)c1c(Cl)cccc1C1(CC1)C(F)F Show InChI InChI=1S/C31H29ClF3N3O5/c1-30(43-2)14-37(15-30)26(39)16-6-9-19-23(13-16)38(36-25(19)18-8-7-17(28(41)42)12-22(18)33)27(40)24-20(4-3-5-21(24)32)31(10-11-31)29(34)35/h3-5,7-8,12,16,29H,6,9-11,13-15H2,1-2H3,(H,41,42)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description The compounds of the invention inhibit RORgammaT activity. Activation of RORgammaT activity can be measured using, e.g., biochemical TR-FRET assay. I...				US Patent US10221142 (2019) BindingDB Entry DOI: 10.7270/Q2M90BZ0
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM359567 ((R or S)-4-(1-(2- chloro-6-(1- (trifluoromethyl)cy...) Show SMILES OC(=O)c1ccc(-c2nn(C(=O)c3c(Cl)cccc3C3(CC3)C(F)(F)F)c3CC(CCc23)C(=O)N2CCc3[nH]ncc3C2)c(F)c1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description The compounds of the invention inhibit RORgammaT activity. Activation of RORgammaT activity can be measured using, e.g., biochemical TR-FRET assay. I...				US Patent US10221142 (2019) BindingDB Entry DOI: 10.7270/Q2M90BZ0
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM359570 ((R or S)-4-(1-(2- chloro-6-(1- (trifluoromethyl)cy...) Show SMILES Cc1nc2CN(Cc2[nH]1)C(=O)C1CCc2c(C1)n(nc2-c1ccc(cc1F)C(O)=O)C(=O)c1c(Cl)cccc1C1(CC1)C(F)(F)F Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description The compounds of the invention inhibit RORgammaT activity. Activation of RORgammaT activity can be measured using, e.g., biochemical TR-FRET assay. I...				US Patent US10221142 (2019) BindingDB Entry DOI: 10.7270/Q2M90BZ0
					More data for this Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 [1-1200,1251-2527,G2019S] (Homo sapiens (Human))	BDBM523106 (US11161854, Example 4.30) Show SMILES Cc1cc(nc(CO)n1)-n1ncc2ccc(cc12)[C@@]1(CC11CC1)C#N |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.625	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The LRRK2 kinase activity reported herein as IC50 values was determined with LanthaScreen™ technology from Life Technologies Corporation (Carlsbad, C...				Citation and Details BindingDB Entry DOI: 10.7270/Q29K4FC3
					More data for this Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 [1-1200,1251-2527,G2019S] (Homo sapiens (Human))	BDBM523104 (US11161854, Example 4.28) Show SMILES Cc1nc(CO)cc(n1)-n1ncc2ccc(cc12)[C@@]1(CC11CC1)C#N |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.625	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The LRRK2 kinase activity reported herein as IC50 values was determined with LanthaScreen™ technology from Life Technologies Corporation (Carlsbad, C...				Citation and Details BindingDB Entry DOI: 10.7270/Q29K4FC3
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM359540 (4-[(6R or S)-1-({2- chloro-6-[1- (trifluoromethyl)...) Show SMILES OC(=O)c1ccc(-c2nn(C(=O)c3c(Cl)cccc3C3(CC3)C(F)(F)F)c3CC(CCc23)C(=O)N2CC3(C2)CCCO3)c(F)c1 Show InChI InChI=1S/C32H28ClF4N3O5/c33-22-4-1-3-21(31(10-11-31)32(35,36)37)25(22)28(42)40-24-14-17(27(41)39-15-30(16-39)9-2-12-45-30)5-8-20(24)26(38-40)19-7-6-18(29(43)44)13-23(19)34/h1,3-4,6-7,13,17H,2,5,8-12,14-16H2,(H,43,44)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description The compounds of the invention inhibit RORgammaT activity. Activation of RORgammaT activity can be measured using, e.g., biochemical TR-FRET assay. I...				US Patent US10221142 (2019) BindingDB Entry DOI: 10.7270/Q2M90BZ0
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM359582 ((R or S)-4-(1-(2- chloro-6-(1- (trifluoromethyl)cy...) Show SMILES OC(=O)c1ccc(-c2nn(C(=O)c3c(Cl)cccc3C3(CC3)C(F)(F)F)c3CC(CCc23)C(=O)N2CC3(COC3)C2)c(F)c1 Show InChI InChI=1S/C31H26ClF4N3O5/c32-21-3-1-2-20(30(8-9-30)31(34,35)36)24(21)27(41)39-23-11-16(26(40)38-12-29(13-38)14-44-15-29)4-7-19(23)25(37-39)18-6-5-17(28(42)43)10-22(18)33/h1-3,5-6,10,16H,4,7-9,11-15H2,(H,42,43)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description The compounds of the invention inhibit RORgammaT activity. Activation of RORgammaT activity can be measured using, e.g., biochemical TR-FRET assay. I...				US Patent US10221142 (2019) BindingDB Entry DOI: 10.7270/Q2M90BZ0
					More data for this Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM50609741 (CHEMBL5284341) Show SMILES CC(C)(O)C12CC(C1)N(C2)c1cc(ncn1)-n1ncc2ccc(cc12)[C@@]1(CC11CC1)C#N |r,wU:25.29,(6.77,.49,;6.77,-1.06,;5.44,-.29,;8.31,-.98,;6.07,-2.43,;4.54,-2.51,;4.14,-4,;5.68,-3.91,;3.59,-2.56,;4.78,-1.59,;2.1,-2.16,;1.7,-.68,;.21,-.28,;-.88,-1.37,;-.47,-2.86,;1.01,-3.25,;-.18,1.21,;.72,2.46,;-.18,3.7,;-1.65,3.23,;-2.98,4,;-4.31,3.23,;-4.31,1.68,;-2.97,.92,;-1.65,1.69,;-5.64,.91,;-6.42,-.43,;-4.87,-.43,;-4.1,-1.76,;-3.33,-.43,;-6.98,1.68,;-8.31,2.45,)| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	UniChem		n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM359547 (4-[(6R or S)-1-({2- chloro-6-[1- (trifluoromethyl)...) Show SMILES CN(C)C1CN(CC1(F)F)C(=O)C1CCc2c(C1)n(nc2-c1ccc(cc1F)C(O)=O)C(=O)c1c(Cl)cccc1C1(CC1)C(F)(F)F Show InChI InChI=1S/C32H29ClF6N4O4/c1-41(2)24-14-42(15-31(24,35)36)27(44)16-6-9-19-23(13-16)43(40-26(19)18-8-7-17(29(46)47)12-22(18)34)28(45)25-20(4-3-5-21(25)33)30(10-11-30)32(37,38)39/h3-5,7-8,12,16,24H,6,9-11,13-15H2,1-2H3,(H,46,47)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description The compounds of the invention inhibit RORgammaT activity. Activation of RORgammaT activity can be measured using, e.g., biochemical TR-FRET assay. I...				US Patent US10221142 (2019) BindingDB Entry DOI: 10.7270/Q2M90BZ0
					More data for this Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 [1-1200,1251-2527,G2019S] (Homo sapiens (Human))	BDBM523036 (US11161854, Example 2.8-1 | US11161854, Example 2....) Show SMILES CNc1nc(cc(n1)-n1ncc2ccc(cc12)C1(CC11CC1)C#N)N1CC[C@@H](C1)C(F)F |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The LRRK2 kinase activity reported herein as IC50 values was determined with LanthaScreen™ technology from Life Technologies Corporation (Carlsbad, C...				Citation and Details BindingDB Entry DOI: 10.7270/Q29K4FC3
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM359577 (4-[(6R or S)-1-({2- chloro-6-[1- (trifluoromethyl)...) Show SMILES CO[C@H]1CN(C[C@@H]1O)C(=O)C1CCc2c(C1)n(nc2-c1ccc(cc1F)C(O)=O)C(=O)c1c(Cl)cccc1C1(CC1)C(F)(F)F |r| Show InChI InChI=1S/C31H28ClF4N3O6/c1-45-24-14-38(13-23(24)40)27(41)15-5-8-18-22(12-15)39(37-26(18)17-7-6-16(29(43)44)11-21(17)33)28(42)25-19(3-2-4-20(25)32)30(9-10-30)31(34,35)36/h2-4,6-7,11,15,23-24,40H,5,8-10,12-14H2,1H3,(H,43,44)/t15?,23-,24-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description The compounds of the invention inhibit RORgammaT activity. Activation of RORgammaT activity can be measured using, e.g., biochemical TR-FRET assay. I...				US Patent US10221142 (2019) BindingDB Entry DOI: 10.7270/Q2M90BZ0
					More data for this Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 [1-1200,1251-2527,G2019S] (Homo sapiens (Human))	BDBM523109 (US11161854, Example 5.3-1 | US11161854, Example 5....) Show SMILES CC(C)(O)[C@@H]1CCN(C1)c1cc(ncn1)-n1ncc2cnc(cc12)C1(CC11CC1)C#N |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The LRRK2 kinase activity reported herein as IC50 values was determined with LanthaScreen™ technology from Life Technologies Corporation (Carlsbad, C...				Citation and Details BindingDB Entry DOI: 10.7270/Q29K4FC3
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM359535 (US10221142, Example 21A) Show SMILES OC(=O)c1ccc(-c2nn(C(=O)c3c(Cl)cccc3C3(CC3)C(F)(F)F)c3CC(CCc23)C(=O)N2CCC3(COC3)C2)c(F)c1 Show InChI InChI=1S/C32H28ClF4N3O5/c33-22-3-1-2-21(31(8-9-31)32(35,36)37)25(22)28(42)40-24-13-17(27(41)39-11-10-30(14-39)15-45-16-30)4-7-20(24)26(38-40)19-6-5-18(29(43)44)12-23(19)34/h1-3,5-6,12,17H,4,7-11,13-16H2,(H,43,44)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description The compounds of the invention inhibit RORgammaT activity. Activation of RORgammaT activity can be measured using, e.g., biochemical TR-FRET assay. I...				US Patent US10221142 (2019) BindingDB Entry DOI: 10.7270/Q2M90BZ0
					More data for this Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 [1-1200,1251-2527,G2019S] (Homo sapiens (Human))	BDBM523085 (US11161854, Example 4.11-2) Show SMILES COCc1nc(cc(n1)-n1ncc2ccc(cc12)[C@@]1(CC11CC1)C#N)N1CCN(C2COC2)[C@@H](C)C1 |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The LRRK2 kinase activity reported herein as IC50 values was determined with LanthaScreen™ technology from Life Technologies Corporation (Carlsbad, C...				Citation and Details BindingDB Entry DOI: 10.7270/Q29K4FC3
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM359539 (4-{(6R or S)-1-({2- chloro-6-[1- (trifluoromethyl...) Show SMILES COC1CN(C1)C(=O)C1CCc2c(C1)n(nc2-c1ccc(cc1F)C(O)=O)C(=O)c1c(Cl)cccc1C1(CC1)C(F)(F)F Show InChI InChI=1S/C30H26ClF4N3O5/c1-43-17-13-37(14-17)26(39)15-5-8-19-23(12-15)38(36-25(19)18-7-6-16(28(41)42)11-22(18)32)27(40)24-20(3-2-4-21(24)31)29(9-10-29)30(33,34)35/h2-4,6-7,11,15,17H,5,8-10,12-14H2,1H3,(H,41,42)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description The compounds of the invention inhibit RORgammaT activity. Activation of RORgammaT activity can be measured using, e.g., biochemical TR-FRET assay. I...				US Patent US10221142 (2019) BindingDB Entry DOI: 10.7270/Q2M90BZ0
					More data for this Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 [1-1200,1251-2527,G2019S] (Homo sapiens (Human))	BDBM523032 (US11161854, Example 2.6-1 | US11161854, Example 2....) Show SMILES CNc1nc(cc(n1)-n1ncc2ccc(cc12)C1(CC11CC1)C#N)N1CC[C@H](C1)C(C)(C)O |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The LRRK2 kinase activity reported herein as IC50 values was determined with LanthaScreen™ technology from Life Technologies Corporation (Carlsbad, C...				Citation and Details BindingDB Entry DOI: 10.7270/Q29K4FC3
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM359550 (4-[(6R or S)-1-({2- chloro-6-[1- (difluoromethyl)c...) Show SMILES OC(=O)c1ccc(-c2nn(C(=O)c3c(Cl)cccc3C3(CC3)C(F)F)c3CC(CCc23)C(=O)N2CCC3(COC3)C2)c(F)c1 Show InChI InChI=1S/C32H29ClF3N3O5/c33-22-3-1-2-21(32(8-9-32)30(35)36)25(22)28(41)39-24-13-17(27(40)38-11-10-31(14-38)15-44-16-31)4-7-20(24)26(37-39)19-6-5-18(29(42)43)12-23(19)34/h1-3,5-6,12,17,30H,4,7-11,13-16H2,(H,42,43)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description The compounds of the invention inhibit RORgammaT activity. Activation of RORgammaT activity can be measured using, e.g., biochemical TR-FRET assay. I...				US Patent US10221142 (2019) BindingDB Entry DOI: 10.7270/Q2M90BZ0
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM359551 (4-[(6R or S)-1-({2- chloro-6-[1- (difluoromethyl)c...) Show SMILES O[C@@H]1CN(C[C@@H]1F)C(=O)C1CCc2c(C1)n(nc2-c1ccc(cc1F)C(O)=O)C(=O)c1c(Cl)cccc1C1(CC1)C(F)F |r| Show InChI InChI=1S/C30H26ClF4N3O5/c31-19-3-1-2-18(30(8-9-30)29(34)35)24(19)27(41)38-22-11-14(26(40)37-12-21(33)23(39)13-37)4-7-17(22)25(36-38)16-6-5-15(28(42)43)10-20(16)32/h1-3,5-6,10,14,21,23,29,39H,4,7-9,11-13H2,(H,42,43)/t14?,21-,23+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description The compounds of the invention inhibit RORgammaT activity. Activation of RORgammaT activity can be measured using, e.g., biochemical TR-FRET assay. I...				US Patent US10221142 (2019) BindingDB Entry DOI: 10.7270/Q2M90BZ0
					More data for this Ligand-Target Pair

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