Compile Data Set for Download or QSAR

Found 1728 hits with Last Name = 'panknin' and Initial = 'o'   

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
MAP kinase-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM550562 (8′-Methyl-6′-(thieno[2,3-d]pyrimidin-4...) Show SMILES Cc1cc(Nc2ncnc3sccc23)c(=O)n2c1C(=O)NC21CCCC1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description MKNK1-inhibitory activity at high ATP of compounds of the present invention after their preincubation with MKNK1 was quantified employing the TR-FRET...				Citation and Details BindingDB Entry DOI: 10.7270/Q2VT1W9T
					More data for this Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM550512 (8′-Methyl-6′-(7H-pyrrolo[2,3-d]pyrimid...) Show SMILES Cc1cc(Nc2ncnc3[nH]ccc23)c(=O)n2c1C(=O)NC21CCCCC1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description MKNK1-inhibitory activity at high ATP of compounds of the present invention after their preincubation with MKNK1 was quantified employing the TR-FRET...				Citation and Details BindingDB Entry DOI: 10.7270/Q2VT1W9T
					More data for this Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM550561 (8′-Methyl-6′-(7H-pyrrolo[2,3-d]pyrimid...) Show SMILES Cc1cc(Nc2ncnc3[nH]ccc23)c(=O)n2c1C(=O)NC21CCCC1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description MKNK1-inhibitory activity at high ATP of compounds of the present invention after their preincubation with MKNK1 was quantified employing the TR-FRET...				Citation and Details BindingDB Entry DOI: 10.7270/Q2VT1W9T
					More data for this Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM550512 (8′-Methyl-6′-(7H-pyrrolo[2,3-d]pyrimid...) Show SMILES Cc1cc(Nc2ncnc3[nH]ccc23)c(=O)n2c1C(=O)NC21CCCCC1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description MKNK1-inhibitory activity at high ATP of compounds of the present invention after their preincubation with MKNK1 was quantified employing the TR-FRET...				Citation and Details BindingDB Entry DOI: 10.7270/Q2VT1W9T
					More data for this Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM550654 (8′-Methyl-6′-(7H-pyrrolo[2,3-d]pyrimid...) Show SMILES Cc1cc(Nc2ncnc3[nH]ccc23)c(=O)n2c1C(=O)NC21CCC1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description MKNK1-inhibitory activity at high ATP of compounds of the present invention after their preincubation with MKNK1 was quantified employing the TR-FRET...				Citation and Details BindingDB Entry DOI: 10.7270/Q2VT1W9T
					More data for this Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM550702 (8-methyl-6-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)-...) Show SMILES Cc1cc(Nc2ncnc3[nH]ccc23)c(=O)n2c1C(=O)NC21CCSCC1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD 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
TBA					Assay Description MKNK1-inhibitory activity at high ATP of compounds of the present invention after their preincubation with MKNK1 was quantified employing the TR-FRET...				Citation and Details BindingDB Entry DOI: 10.7270/Q2VT1W9T
					More data for this Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM550534 (6′-({6-[(3-Aminoazetidin-1-yl)carbonyl]thien...) Show SMILES Cc1cc(Nc2ncnc3sc(cc23)C(=O)N2CC(N)C2)c(=O)n2c1C(=O)NC21CCCCC1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD 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 MKNK1-inhibitory activity at high ATP of compounds of the present invention after their preincubation with MKNK1 was quantified employing the TR-FRET...				Citation and Details BindingDB Entry DOI: 10.7270/Q2VT1W9T
					More data for this Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM550638 (3,3,8-Trimethyl-6-(7H-pyrrolo[2,3-d]pyrimidin-4-yl...) Show SMILES Cc1cc(Nc2ncnc3[nH]ccc23)c(=O)n2c1C(=O)NC2(C)C Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD 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 MKNK1-inhibitory activity at high ATP of compounds of the present invention after their preincubation with MKNK1 was quantified employing the TR-FRET...				Citation and Details BindingDB Entry DOI: 10.7270/Q2VT1W9T
					More data for this Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM550596 (4,4-Difluoro-8′-methyl-6′-(7H-pyrrolo[...) Show SMILES Cc1cc(Nc2ncnc3[nH]ccc23)c(=O)n2c1C(=O)NC21CCC(F)(F)CC1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD 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 MKNK1-inhibitory activity at high ATP of compounds of the present invention after their preincubation with MKNK1 was quantified employing the TR-FRET...				Citation and Details BindingDB Entry DOI: 10.7270/Q2VT1W9T
					More data for this Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM550573 (8′-methyl-6′-(9H-purin-6-ylamino)-2...) Show SMILES Cc1cc(Nc2ncnc3[nH]cnc23)c(=O)n2c1C(=O)NC21CCCC1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD 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 MKNK1-inhibitory activity at high ATP of compounds of the present invention after their preincubation with MKNK1 was quantified employing the TR-FRET...				Citation and Details BindingDB Entry DOI: 10.7270/Q2VT1W9T
					More data for this Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM550634 (4-Hydroxy-8′-methyl-6′-(7H-pyrrolo[2,3...) Show SMILES Cc1cc(Nc2ncnc3[nH]ccc23)c(=O)n2c1C(=O)NC21CCC(O)(CC1)C(F)(F)F |(.54,4.57,;.54,3.03,;-.79,2.26,;-.79,.72,;-2.12,-.05,;-3.46,.72,;-3.46,2.26,;-4.79,3.03,;-6.12,2.26,;-6.12,.72,;-7.27,-.31,;-6.64,-1.72,;-5.11,-1.56,;-4.79,-.05,;.54,-.05,;.54,-1.59,;1.88,.72,;1.88,2.26,;3.34,2.74,;3.82,4.2,;4.25,1.49,;3.34,.24,;2.31,-.9,;2.79,-2.36,;4.29,-2.68,;3.21,-3.77,;5.32,-1.54,;4.85,-.08,;5.78,-3.08,;7.27,-3.48,;6.87,-1.99,;6.18,-4.57,)| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description MKNK1-inhibitory activity at high ATP of compounds of the present invention after their preincubation with MKNK1 was quantified employing the TR-FRET...				Citation and Details BindingDB Entry DOI: 10.7270/Q2VT1W9T
					More data for this Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM550704 (8-methyl-6-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)-...) Show SMILES Cc1cc(Nc2ncnc3[nH]ccc23)c(=O)n2c1C(=O)NC21CCS(=O)(=O)CC1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description MKNK1-inhibitory activity at high ATP of compounds of the present invention after their preincubation with MKNK1 was quantified employing the TR-FRET...				Citation and Details BindingDB Entry DOI: 10.7270/Q2VT1W9T
					More data for this Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM550684 (8-methyl-6-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino...) Show SMILES Cc1cc(Nc2ncnc3[nH]ccc23)c(=O)n2c1C(=O)NC21CSC1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description MKNK1-inhibitory activity at high ATP of compounds of the present invention after their preincubation with MKNK1 was quantified employing the TR-FRET...				Citation and Details BindingDB Entry DOI: 10.7270/Q2VT1W9T
					More data for this Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM550596 (4,4-Difluoro-8′-methyl-6′-(7H-pyrrolo[...) Show SMILES Cc1cc(Nc2ncnc3[nH]ccc23)c(=O)n2c1C(=O)NC21CCC(F)(F)CC1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description MKNK1-inhibitory activity at high ATP of compounds of the present invention after their preincubation with MKNK1 was quantified employing the TR-FRET...				Citation and Details BindingDB Entry DOI: 10.7270/Q2VT1W9T
					More data for this Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM550596 (4,4-Difluoro-8′-methyl-6′-(7H-pyrrolo[...) Show SMILES Cc1cc(Nc2ncnc3[nH]ccc23)c(=O)n2c1C(=O)NC21CCC(F)(F)CC1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description MKNK1-inhibitory activity at high ATP of compounds of the present invention after their preincubation with MKNK1 was quantified employing the TR-FRET...				Citation and Details BindingDB Entry DOI: 10.7270/Q2VT1W9T
					More data for this Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM550530 (8′-methyl-6′-(9H-purin-6-ylamino)-2...) Show SMILES Cc1cc(Nc2ncnc3[nH]cnc23)c(=O)n2c1C(=O)NC21CCCCC1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description MKNK1-inhibitory activity at high ATP of compounds of the present invention after their preincubation with MKNK1 was quantified employing the TR-FRET...				Citation and Details BindingDB Entry DOI: 10.7270/Q2VT1W9T
					More data for this Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM550580 (6′-({6-[(3-Aminoazetidin-1-yl)carbonyl]thien...) Show SMILES Cc1cc(Nc2ncnc3sc(cc23)C(=O)N2CC(N)C2)c(=O)n2c1C(=O)NC21CCCC1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description MKNK1-inhibitory activity at high ATP of compounds of the present invention after their preincubation with MKNK1 was quantified employing the TR-FRET...				Citation and Details BindingDB Entry DOI: 10.7270/Q2VT1W9T
					More data for this Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM550574 (8′-methyl-6′-(1H-pyrazolo[3,4-d]pyrimi...) Show SMILES Cc1cc(Nc2ncnc3[nH]ncc23)c(=O)n2c1C(=O)NC21CCCC1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description MKNK1-inhibitory activity at high ATP of compounds of the present invention after their preincubation with MKNK1 was quantified employing the TR-FRET...				Citation and Details BindingDB Entry DOI: 10.7270/Q2VT1W9T
					More data for this Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM550548 (8′-Methyl-6′-[(6-{[(1R,4R)-5-methyl-2,...) Show SMILES CN1C[C@H]2C[C@@H]1CN2C(=O)c1cc2c(Nc3cc(C)c4C(=O)NC5(CCCCC5)n4c3=O)ncnc2s1 |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.90	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description MKNK1-inhibitory activity at high ATP of compounds of the present invention after their preincubation with MKNK1 was quantified employing the TR-FRET...				Citation and Details BindingDB Entry DOI: 10.7270/Q2VT1W9T
					More data for this Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM550531 (N-[2-(Dimethylamino)ethyl]-4-[(8′-methyl-1&#...) Show SMILES CN(C)CCNC(=O)c1cc2c(Nc3cc(C)c4C(=O)NC5(CCCCC5)n4c3=O)ncnc2s1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.90	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description MKNK1-inhibitory activity at high ATP of compounds of the present invention after their preincubation with MKNK1 was quantified employing the TR-FRET...				Citation and Details BindingDB Entry DOI: 10.7270/Q2VT1W9T
					More data for this Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM550513 (8′-Methyl-6′-(1H-pyrazolo[3,4-d]pyrimi...) Show SMILES Cc1cc(Nc2ncnc3[nH]ncc23)c(=O)n2c1C(=O)NC21CCCCC1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description MKNK1-inhibitory activity at high ATP of compounds of the present invention after their preincubation with MKNK1 was quantified employing the TR-FRET...				Citation and Details BindingDB Entry DOI: 10.7270/Q2VT1W9T
					More data for this Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM550665 (8′-Methyl-6′-(9H-purin-6-ylamino)-2...) Show SMILES Cc1cc(Nc2ncnc3[nH]cnc23)c(=O)n2c1C(=O)NC21CCC1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description MKNK1-inhibitory activity at high ATP of compounds of the present invention after their preincubation with MKNK1 was quantified employing the TR-FRET...				Citation and Details BindingDB Entry DOI: 10.7270/Q2VT1W9T
					More data for this Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM550655 (8′-Methyl-6′-(thieno[2,3-d]pyrimidin-4...) Show SMILES Cc1cc(Nc2ncnc3sccc23)c(=O)n2c1C(=O)NC21CCC1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.30	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description MKNK1-inhibitory activity at high ATP of compounds of the present invention after their preincubation with MKNK1 was quantified employing the TR-FRET...				Citation and Details BindingDB Entry DOI: 10.7270/Q2VT1W9T
					More data for this Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM550559 (N-{4-[(8′-Methyl-1′,5′-dioxo-1&#...) Show SMILES Cc1cc(Nc2ncnc(NC(=O)C3CC3)n2)c(=O)n2c1C(=O)NC21CCCC1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.40	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description MKNK1-inhibitory activity at high ATP of compounds of the present invention after their preincubation with MKNK1 was quantified employing the TR-FRET...				Citation and Details BindingDB Entry DOI: 10.7270/Q2VT1W9T
					More data for this Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM550483 (N-{4-[(8′-Methyl-1′,5′-dioxo-1&#...) Show SMILES Cc1cc(Nc2ncnc(NC(=O)C3CC3)n2)c(=O)n2c1C(=O)NC21CCCCC1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description MKNK1-inhibitory activity at high ATP of compounds of the present invention after their preincubation with MKNK1 was quantified employing the TR-FRET...				Citation and Details BindingDB Entry DOI: 10.7270/Q2VT1W9T
					More data for this Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM550565 (N-[2-(Dimethylamino)ethyl]-4-[(8′-methyl-1&#...) Show SMILES CN(C)CCNC(=O)c1cc2c(Nc3cc(C)c4C(=O)NC5(CCCC5)n4c3=O)ncnc2s1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.70	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description MKNK1-inhibitory activity at high ATP of compounds of the present invention after their preincubation with MKNK1 was quantified employing the TR-FRET...				Citation and Details BindingDB Entry DOI: 10.7270/Q2VT1W9T
					More data for this Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM550535 (6′-[(6-{[(3R)-3-(Dimethylamino)pyrrolidin-1-...) Show SMILES CN(C)[C@@H]1CCN(C1)C(=O)c1cc2c(Nc3cc(C)c4C(=O)NC5(CCCCC5)n4c3=O)ncnc2s1 |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.90	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description MKNK1-inhibitory activity at high ATP of compounds of the present invention after their preincubation with MKNK1 was quantified employing the TR-FRET...				Citation and Details BindingDB Entry DOI: 10.7270/Q2VT1W9T
					More data for this Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM550549 (8′-Methyl-6′-[(6-{[(1S,4S)-5-methyl-2,...) Show SMILES CN1C[C@@H]2C[C@H]1CN2C(=O)c1cc2c(Nc3cc(C)c4C(=O)NC5(CCCCC5)n4c3=O)ncnc2s1 |r,TLB:0:1:7.6:4| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.90	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description MKNK1-inhibitory activity at high ATP of compounds of the present invention after their preincubation with MKNK1 was quantified employing the TR-FRET...				Citation and Details BindingDB Entry DOI: 10.7270/Q2VT1W9T
					More data for this Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM550666 (8′-Methyl-6′-(1H-pyrazolo[3,4-d]pyrimi...) Show SMILES Cc1cc(Nc2ncnc3[nH]ncc23)c(=O)n2c1C(=O)NC21CCC1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.90	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description MKNK1-inhibitory activity at high ATP of compounds of the present invention after their preincubation with MKNK1 was quantified employing the TR-FRET...				Citation and Details BindingDB Entry DOI: 10.7270/Q2VT1W9T
					More data for this Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM550557 (8′-Methyl-6′-([1,3]thiazolo[5,4-d]pyri...) Show SMILES Cc1cc(Nc2ncnc3scnc23)c(=O)n2c1C(=O)NC21CCCCC1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.90	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description MKNK1-inhibitory activity at high ATP of compounds of the present invention after their preincubation with MKNK1 was quantified employing the TR-FRET...				Citation and Details BindingDB Entry DOI: 10.7270/Q2VT1W9T
					More data for this Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM550625 (6′-[(6,7-Dimethoxyquinazolin-4-yl)amino]-8&#...) Show SMILES COc1cc2ncnc(Nc3cc(C)c4C(=O)NC5(CCCCC5)n4c3=O)c2cc1OC Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description MKNK1-inhibitory activity at high ATP of compounds of the present invention after their preincubation with MKNK1 was quantified employing the TR-FRET...				Citation and Details BindingDB Entry DOI: 10.7270/Q2VT1W9T
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132H] (Homo sapiens (Human))	BDBM389389 (US9951027, 2-155-2) Show SMILES COc1cc2n([C@H]3C[C@@H](C)CC(C)(C)C3)c(Nc3ccc(cc3)C(C)C)nc2cc1C(O)=O Show InChI InChI=1S/C27H35N3O3/c1-16(2)18-7-9-19(10-8-18)28-26-29-22-12-21(25(31)32)24(33-6)13-23(22)30(26)20-11-17(3)14-27(4,5)15-20/h7-10,12-13,16-17,20H,11,14-15H2,1-6H3,(H,28,29)(H,31,32)/t17-,20+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories					Assay Description mIDH1 catalyzes the NADPH-dependent reduction of alpha-ketoglutarate (α-KG) to (2R)-2-hydroxyglutarate (2-HG). NADPH consumption was measured by...				J Med Chem 52: 514-23 (2009) BindingDB Entry DOI: 10.7270/Q2S75JN6
					More data for this Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM550536 (6′-[(6-{[(3S)-3-(Dimethylamino)pyrrolidin-1-...) Show SMILES CN(C)[C@H]1CCN(C1)C(=O)c1cc2c(Nc3cc(C)c4C(=O)NC5(CCCCC5)n4c3=O)ncnc2s1 |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.20	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description MKNK1-inhibitory activity at high ATP of compounds of the present invention after their preincubation with MKNK1 was quantified employing the TR-FRET...				Citation and Details BindingDB Entry DOI: 10.7270/Q2VT1W9T
					More data for this Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM550612 (4,4-Difluoro-8′-methyl-6′-(9H-purin-6-...) Show SMILES Cc1cc(Nc2ncnc3[nH]cnc23)c(=O)n2c1C(=O)NC21CCC(F)(F)CC1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description MKNK1-inhibitory activity at high ATP of compounds of the present invention after their preincubation with MKNK1 was quantified employing the TR-FRET...				Citation and Details BindingDB Entry DOI: 10.7270/Q2VT1W9T
					More data for this Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM550569 (6′-[(6-{[(3R)-3-(Dimethylamino)pyrrolidin-1-...) Show SMILES CN(C)[C@@H]1CCN(C1)C(=O)c1cc2c(Nc3cc(C)c4C(=O)NC5(CCCC5)n4c3=O)ncnc2s1 |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.80	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description MKNK1-inhibitory activity at high ATP of compounds of the present invention after their preincubation with MKNK1 was quantified employing the TR-FRET...				Citation and Details BindingDB Entry DOI: 10.7270/Q2VT1W9T
					More data for this Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM550602 (8′-Methyl-6′-({6-[(1R,4R)-2-oxa-5-azab...) Show SMILES Cc1cc(Nc2ncnc3sc(cc23)C(=O)N2C[C@H]3C[C@@H]2CO3)c(=O)n2c1C(=O)NC21CCCC1 |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.90	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description MKNK1-inhibitory activity at high ATP of compounds of the present invention after their preincubation with MKNK1 was quantified employing the TR-FRET...				Citation and Details BindingDB Entry DOI: 10.7270/Q2VT1W9T
					More data for this Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM550622 (6′-[(7-Methoxyquinazolin-4-yl)amino]-8′...) Show SMILES COc1ccc2c(Nc3cc(C)c4C(=O)NC5(CCCCC5)n4c3=O)ncnc2c1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description MKNK1-inhibitory activity at high ATP of compounds of the present invention after their preincubation with MKNK1 was quantified employing the TR-FRET...				Citation and Details BindingDB Entry DOI: 10.7270/Q2VT1W9T
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132H] (Homo sapiens (Human))	BDBM389324 (US9951027, 2-95-2 | US9951027, 2-96-2) Show SMILES COC(=O)[C@H](C)N(C)C(=O)c1ccc2n([C@H]3C[C@@H](C)CC(C)(C)C3)c(Nc3ccc(OC(F)(F)F)cc3)nc2c1 Show InChI InChI=1S/C29H35F3N4O4/c1-17-13-21(16-28(3,4)15-17)36-24-12-7-19(25(37)35(5)18(2)26(38)39-6)14-23(24)34-27(36)33-20-8-10-22(11-9-20)40-29(30,31)32/h7-12,14,17-18,21H,13,15-16H2,1-6H3,(H,33,34)/t17-,18+,21+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories					Assay Description mIDH1 catalyzes the NADPH-dependent reduction of alpha-ketoglutarate (α-KG) to (2R)-2-hydroxyglutarate (2-HG). NADPH consumption was measured by...				J Med Chem 52: 514-23 (2009) BindingDB Entry DOI: 10.7270/Q2S75JN6
					More data for this Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM550657 (N-[2-(Dimethylamino)ethyl]-4-[(8′-methyl-1&#...) Show SMILES CN(C)CCNC(=O)c1cc2c(Nc3cc(C)c4C(=O)NC5(CCC5)n4c3=O)ncnc2s1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description MKNK1-inhibitory activity at high ATP of compounds of the present invention after their preincubation with MKNK1 was quantified employing the TR-FRET...				Citation and Details BindingDB Entry DOI: 10.7270/Q2VT1W9T
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132H] (Homo sapiens (Human))	BDBM389290 (US9951027, 2-76-2) Show SMILES CC(C)c1ccc(Nc2nc3cc(ccc3n2[C@H]2C[C@H](C)CC(C)(C)C2)C(O)=O)cc1 Show InChI InChI=1S/C26H33N3O2/c1-16(2)18-6-9-20(10-7-18)27-25-28-22-13-19(24(30)31)8-11-23(22)29(25)21-12-17(3)14-26(4,5)15-21/h6-11,13,16-17,21H,12,14-15H2,1-5H3,(H,27,28)(H,30,31)/t17-,21-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories					Assay Description mIDH1 catalyzes the NADPH-dependent reduction of alpha-ketoglutarate (α-KG) to (2R)-2-hydroxyglutarate (2-HG). NADPH consumption was measured by...				J Med Chem 52: 514-23 (2009) BindingDB Entry DOI: 10.7270/Q2S75JN6
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132H] (Homo sapiens (Human))	BDBM410015 (1-[(1R,2S,5R)-2-isopropyl-5-methylcyclohexyl]-2-{[...) Show SMILES CC(C)[C@@H]1CC[C@@H](C)C[C@H]1n1c(Nc2ccc(OC(F)(F)F)cc2)nc2cc(ccc12)C(O)=O |r| Show InChI InChI=1S/C25H28F3N3O3/c1-14(2)19-10-4-15(3)12-22(19)31-21-11-5-16(23(32)33)13-20(21)30-24(31)29-17-6-8-18(9-7-17)34-25(26,27)28/h5-9,11,13-15,19,22H,4,10,12H2,1-3H3,(H,29,30)(H,32,33)/t15-,19+,22-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description Mutant IDH1 R132H Biochemical Assay mIDH1 catalyzes the NADPH-dependent reduction of alpha-ketoglutarate (a-KG) to (2R)-2-hydroxyglutarate (2-HG). NA...				US Patent US10370339 (2019) BindingDB Entry DOI: 10.7270/Q2M32Z3X
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132H] (Homo sapiens (Human))	BDBM389381 ((+-) 6-methoxy-2-{[4-(trifluoromethoxy)phenyl]amin...) Show SMILES COc1cc2n([C@H]3C[C@@H](C)CC(C)(C)C3)c(Nc3ccc(OC(F)(F)F)cc3)nc2cc1C(O)=O |r| Show InChI InChI=1S/C25H28F3N3O4/c1-14-9-16(13-24(2,3)12-14)31-20-11-21(34-4)18(22(32)33)10-19(20)30-23(31)29-15-5-7-17(8-6-15)35-25(26,27)28/h5-8,10-11,14,16H,9,12-13H2,1-4H3,(H,29,30)(H,32,33)/t14-,16+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories					Assay Description mIDH1 catalyzes the NADPH-dependent reduction of alpha-ketoglutarate (α-KG) to (2R)-2-hydroxyglutarate (2-HG). NADPH consumption was measured by...				J Med Chem 52: 514-23 (2009) BindingDB Entry DOI: 10.7270/Q2S75JN6
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic [R132H] (Homo sapiens (Human))	BDBM389364 (US9951027, 2-144-2) Show SMILES CC(C)c1ccc(Nc2nc3cc(C(O)=O)c(C)cc3n2[C@H]2C[C@@H](C)CC(C)(C)C2)cc1 |r| Show InChI InChI=1S/C27H35N3O2/c1-16(2)19-7-9-20(10-8-19)28-26-29-23-13-22(25(31)32)18(4)12-24(23)30(26)21-11-17(3)14-27(5,6)15-21/h7-10,12-13,16-17,21H,11,14-15H2,1-6H3,(H,28,29)(H,31,32)/t17-,21+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories					Assay Description mIDH1 catalyzes the NADPH-dependent reduction of alpha-ketoglutarate (α-KG) to (2R)-2-hydroxyglutarate (2-HG). NADPH consumption was measured by...				J Med Chem 52: 514-23 (2009) BindingDB Entry DOI: 10.7270/Q2S75JN6
					More data for this Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM550533 (US11311520, Example 27 | tert-Butyl [1-({4-[(8R...) Show SMILES Cc1cc(Nc2ncnc3sc(cc23)C(=O)N2CC(C2)NC(=O)OC(C)(C)C)c(=O)n2c1C(=O)NC21CCCCC1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description MKNK1-inhibitory activity at high ATP of compounds of the present invention after their preincubation with MKNK1 was quantified employing the TR-FRET...				Citation and Details BindingDB Entry DOI: 10.7270/Q2VT1W9T
					More data for this Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM550568 (US11311520, Example 62 | tert-Butyl [1-({4-[(8R...) Show SMILES Cc1cc(Nc2ncnc3sc(cc23)C(=O)N2CC(C2)NC(=O)OC(C)(C)C)c(=O)n2c1C(=O)NC21CCCC1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description MKNK1-inhibitory activity at high ATP of compounds of the present invention after their preincubation with MKNK1 was quantified employing the TR-FRET...				Citation and Details BindingDB Entry DOI: 10.7270/Q2VT1W9T
					More data for this Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM550520 (6′-[(6-{[4-(Dimethylamino)piperidin-1-yl]car...) Show SMILES CN(C)C1CCN(CC1)C(=O)c1cc2c(Nc3cc(C)c4C(=O)NC5(CCCCC5)n4c3=O)ncnc2s1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description MKNK1-inhibitory activity at high ATP of compounds of the present invention after their preincubation with MKNK1 was quantified employing the TR-FRET...				Citation and Details BindingDB Entry DOI: 10.7270/Q2VT1W9T
					More data for this Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM550552 (6′-[(6-Chloroquinazolin-4-yl)amino]-8′...) Show SMILES Cc1cc(Nc2ncnc3ccc(Cl)cc23)c(=O)n2c1C(=O)NC21CCCCC1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description MKNK1-inhibitory activity at high ATP of compounds of the present invention after their preincubation with MKNK1 was quantified employing the TR-FRET...				Citation and Details BindingDB Entry DOI: 10.7270/Q2VT1W9T
					More data for this Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM550541 (US11311520, Example 35 | tert-Butyl 4-[(8′-m...) Show SMILES Cc1cc(Nc2ncnc3CN(Cc23)C(=O)OC(C)(C)C)c(=O)n2c1C(=O)NC21CCCCC1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description MKNK1-inhibitory activity at high ATP of compounds of the present invention after their preincubation with MKNK1 was quantified employing the TR-FRET...				Citation and Details BindingDB Entry DOI: 10.7270/Q2VT1W9T
					More data for this Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM550683 (8-methyl-6-[(thieno[2,3-d]pyrimidin-4-yl)amino]-2H...) Show SMILES Cc1cc(Nc2ncnc3sccc23)c(=O)n2c1C(=O)NC21CSC1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.30	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description MKNK1-inhibitory activity at high ATP of compounds of the present invention after their preincubation with MKNK1 was quantified employing the TR-FRET...				Citation and Details BindingDB Entry DOI: 10.7270/Q2VT1W9T
					More data for this Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM550662 (6′-[(6-{[(3R)-3-(Dimethylamino)pyrrolidin-1-...) Show SMILES CN(C)[C@@H]1CCN(C1)C(=O)c1cc2c(Nc3cc(C)c4C(=O)NC5(CCC5)n4c3=O)ncnc2s1 |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.30	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description MKNK1-inhibitory activity at high ATP of compounds of the present invention after their preincubation with MKNK1 was quantified employing the TR-FRET...				Citation and Details BindingDB Entry DOI: 10.7270/Q2VT1W9T
					More data for this Ligand-Target Pair

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