Compile Data Set for Download or QSAR

Found 1492 hits with Last Name = 'prunotto' and Initial = 'm'   

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
Ataxin-2 (Homo sapiens (Human))	BDBM258574 (US10633384, Example 12.36 | US9493486, 12.36) Show SMILES Fc1cc(ccc1COC(=O)N1CCC2(CN(C2)C(=O)C2CCc3[nH]nnc3C2)CC1)C(F)(F)F Show InChI	UniProtKB/SwissProt 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
Hoffmann-La Roche Inc. US Patent					Assay Description ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...				US Patent US10633384 (2020) BindingDB Entry DOI: 10.7270/Q2K077BX
					More data for this Ligand-Target Pair
Ataxin-2 (Homo sapiens (Human))	BDBM258575 (US10633384, Example 12.37 | US9493486, 12.37) Show SMILES Cc1cc(OC(F)(F)F)ccc1COC(=O)N1CCC2(CN(C2)C(=O)C2CCc3[nH]nnc3C2)CC1 Show InChI	UniProtKB/SwissProt 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
Hoffmann-La Roche Inc. US Patent					Assay Description ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...				US Patent US10633384 (2020) BindingDB Entry DOI: 10.7270/Q2K077BX
					More data for this Ligand-Target Pair
Ataxin-2 (Homo sapiens (Human))	BDBM258580 (US10633384, Example 12.42 | US9493486, 12.42) Show SMILES Fc1cc(OC(F)(F)F)ccc1COC(=O)N1CCC2(CN(C2)C(=O)C2CCc3[nH]nnc3C2)CC1 Show InChI	UniProtKB/SwissProt 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
Hoffmann-La Roche Inc. US Patent					Assay Description ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...				US Patent US10633384 (2020) BindingDB Entry DOI: 10.7270/Q2K077BX
					More data for this Ligand-Target Pair
Ataxin-2 (Homo sapiens (Human))	BDBM258581 (US10633384, Example 12.43 | US9493486, 12.43) Show SMILES FC(F)(F)Oc1ccc(COC(=O)N2CCC3(CN(C3)C(=O)C3CCc4[nH]nnc4C3)CC2)cc1 Show InChI	UniProtKB/SwissProt 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
Hoffmann-La Roche Inc. US Patent					Assay Description ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...				US Patent US10633384 (2020) BindingDB Entry DOI: 10.7270/Q2K077BX
					More data for this Ligand-Target Pair
Ataxin-2 (Homo sapiens (Human))	BDBM258585 (US10633384, 13.01 | US9493486, 13.01) Show SMILES Fc1cc(OC(F)(F)F)ccc1COC(=O)N1CCC2(CN(C2)C(=O)N2CCc3[nH]nnc3C2)CC1 Show InChI InChI=1S/C22H24F4N6O4/c23-16-9-15(36-22(24,25)26)2-1-14(16)11-35-20(34)30-7-4-21(5-8-30)12-32(13-21)19(33)31-6-3-17-18(10-31)28-29-27-17/h1-2,9H,3-8,10-13H2,(H,27,28,29)	UniProtKB/SwissProt 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
Hoffmann-La Roche Inc. US Patent					Assay Description ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...				US Patent US10633384 (2020) BindingDB Entry DOI: 10.7270/Q2K077BX
					More data for this Ligand-Target Pair
Ataxin-2 (Homo sapiens (Human))	BDBM440743 ((?)-2-Fluoro-4-(trifluoromethoxy)benzyl 2-(4,5,6,7...) Show SMILES Fc1cc(OC(F)(F)F)ccc1COC(=O)N1CCC2(CN(C2)C(=O)[C@H]2CCc3[nH]nnc3C2)CC1.Fc1cc(OC(F)(F)F)ccc1COC(=O)N1CCC2(CN(C2)C(=O)[C@@H]2CCc3[nH]nnc3C2)CC1 |r| Show InChI	UniProtKB/SwissProt 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
Hoffmann-La Roche Inc. US Patent					Assay Description ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...				US Patent US10633384 (2020) BindingDB Entry DOI: 10.7270/Q2K077BX
					More data for this Ligand-Target Pair
Ataxin-2 (Homo sapiens (Human))	BDBM258501 (US10633384, Example 1.23 | US9493486, 1.23) Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)N1CC2(C1)CCN(CC2)C(=O)OCc1ccc(OC(F)(F)F)cc1F Show InChI InChI=1S/C23H23F4N3O6S/c24-19-11-17(36-23(25,26)27)4-1-16(19)12-35-21(32)29-9-7-22(8-10-29)13-30(14-22)20(31)15-2-5-18(6-3-15)37(28,33)34/h1-6,11H,7-10,12-14H2,(H2,28,33,34)	UniProtKB/SwissProt 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
Hoffmann-La Roche Inc. US Patent					Assay Description ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...				US Patent US10633384 (2020) BindingDB Entry DOI: 10.7270/Q2K077BX
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM258574 (US10633384, Example 12.36 | US9493486, 12.36) Show SMILES Fc1cc(ccc1COC(=O)N1CCC2(CN(C2)C(=O)C2CCc3[nH]nnc3C2)CC1)C(F)(F)F Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	8.0	30
Hoffmann-La Roches Inc. US Patent					Assay Description ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...				US Patent US9493486 (2016) BindingDB Entry DOI: 10.7270/Q2VT1R1K
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM258575 (US10633384, Example 12.37 | US9493486, 12.37) Show SMILES Cc1cc(OC(F)(F)F)ccc1COC(=O)N1CCC2(CN(C2)C(=O)C2CCc3[nH]nnc3C2)CC1 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	8.0	30
Hoffmann-La Roches Inc. US Patent					Assay Description ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...				US Patent US9493486 (2016) BindingDB Entry DOI: 10.7270/Q2VT1R1K
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM258580 (US10633384, Example 12.42 | US9493486, 12.42) Show SMILES Fc1cc(OC(F)(F)F)ccc1COC(=O)N1CCC2(CN(C2)C(=O)C2CCc3[nH]nnc3C2)CC1 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	8.0	30
Hoffmann-La Roches Inc. US Patent					Assay Description ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...				US Patent US9493486 (2016) BindingDB Entry DOI: 10.7270/Q2VT1R1K
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM258581 (US10633384, Example 12.43 | US9493486, 12.43) Show SMILES FC(F)(F)Oc1ccc(COC(=O)N2CCC3(CN(C3)C(=O)C3CCc4[nH]nnc4C3)CC2)cc1 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	8.0	30
Hoffmann-La Roches Inc. US Patent					Assay Description ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...				US Patent US9493486 (2016) BindingDB Entry DOI: 10.7270/Q2VT1R1K
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM258585 (US10633384, 13.01 | US9493486, 13.01) Show SMILES Fc1cc(OC(F)(F)F)ccc1COC(=O)N1CCC2(CN(C2)C(=O)N2CCc3[nH]nnc3C2)CC1 Show InChI InChI=1S/C22H24F4N6O4/c23-16-9-15(36-22(24,25)26)2-1-14(16)11-35-20(34)30-7-4-21(5-8-30)12-32(13-21)19(33)31-6-3-17-18(10-31)28-29-27-17/h1-2,9H,3-8,10-13H2,(H,27,28,29)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	8.0	30
Hoffmann-La Roches Inc. US Patent					Assay Description ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...				US Patent US9493486 (2016) BindingDB Entry DOI: 10.7270/Q2VT1R1K
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM258590 (US9493486, 15B) Show SMILES Fc1cc(OC(F)(F)F)ccc1COC(=O)N1CCC2(CN(C2)C(=O)[C@@H]2CCc3[nH]nnc3C2)CC1 |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	8.0	30
Hoffmann-La Roches Inc. US Patent					Assay Description ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...				US Patent US9493486 (2016) BindingDB Entry DOI: 10.7270/Q2VT1R1K
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM258501 (US10633384, Example 1.23 | US9493486, 1.23) Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)N1CC2(C1)CCN(CC2)C(=O)OCc1ccc(OC(F)(F)F)cc1F Show InChI InChI=1S/C23H23F4N3O6S/c24-19-11-17(36-23(25,26)27)4-1-16(19)12-35-21(32)29-9-7-22(8-10-29)13-30(14-22)20(31)15-2-5-18(6-3-15)37(28,33)34/h1-6,11H,7-10,12-14H2,(H2,28,33,34)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	8.0	30
Hoffmann-La Roches Inc. US Patent					Assay Description ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...				US Patent US9493486 (2016) BindingDB Entry DOI: 10.7270/Q2VT1R1K
					More data for this Ligand-Target Pair
Ataxin-2 (Homo sapiens (Human))	BDBM258579 (US10633384, Example 12.41 | US9493486, 12.41) Show SMILES Fc1cc(OC(F)(F)F)ccc1COC(=O)N1CC2(C1)CCN(CC2)C(=O)C1CCc2[nH]nnc2C1 Show InChI	UniProtKB/SwissProt 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
Hoffmann-La Roche Inc. US Patent					Assay Description ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...				US Patent US10633384 (2020) BindingDB Entry DOI: 10.7270/Q2K077BX
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM258579 (US10633384, Example 12.41 | US9493486, 12.41) Show SMILES Fc1cc(OC(F)(F)F)ccc1COC(=O)N1CC2(C1)CCN(CC2)C(=O)C1CCc2[nH]nnc2C1 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	8.0	30
Hoffmann-La Roches Inc. US Patent					Assay Description ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...				US Patent US9493486 (2016) BindingDB Entry DOI: 10.7270/Q2VT1R1K
					More data for this Ligand-Target Pair
Ataxin-2 (Homo sapiens (Human))	BDBM258576 (US10633384, Example 12.38 | US9493486, 12.38) Show SMILES Fc1cc(OCC(F)(F)F)ccc1COC(=O)N1CCC2(CN(C2)C(=O)C2CCc3nn[nH]c3C2)CC1 Show InChI	UniProtKB/SwissProt 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
Hoffmann-La Roche Inc. US Patent					Assay Description ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...				US Patent US10633384 (2020) BindingDB Entry DOI: 10.7270/Q2K077BX
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM258578 (US10633384, Example 12.40 | US9493486, 12.40) Show SMILES Fc1cc(COC(=O)N2CCC3(CN(C3)C(=O)C3CCc4nn[nH]c4C3)CC2)ccc1OCC(F)(F)F Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.5	n/a	n/a	n/a	n/a	8.0	30
Hoffmann-La Roches Inc. US Patent					Assay Description ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...				US Patent US9493486 (2016) BindingDB Entry DOI: 10.7270/Q2VT1R1K
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM258576 (US10633384, Example 12.38 | US9493486, 12.38) Show SMILES Fc1cc(OCC(F)(F)F)ccc1COC(=O)N1CCC2(CN(C2)C(=O)C2CCc3nn[nH]c3C2)CC1 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.5	n/a	n/a	n/a	n/a	8.0	30
Hoffmann-La Roches Inc. US Patent					Assay Description ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...				US Patent US9493486 (2016) BindingDB Entry DOI: 10.7270/Q2VT1R1K
					More data for this Ligand-Target Pair
Ataxin-2 (Homo sapiens (Human))	BDBM258578 (US10633384, Example 12.40 | US9493486, 12.40) Show SMILES Fc1cc(COC(=O)N2CCC3(CN(C3)C(=O)C3CCc4nn[nH]c4C3)CC2)ccc1OCC(F)(F)F Show InChI	UniProtKB/SwissProt 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
Hoffmann-La Roche Inc. US Patent					Assay Description ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...				US Patent US10633384 (2020) BindingDB Entry DOI: 10.7270/Q2K077BX
					More data for this Ligand-Target Pair
Ataxin-2 (Homo sapiens (Human))	BDBM258584 (US10633384, Example 13 | US9493486, 13) Show SMILES FC(F)(F)Oc1ccc(COC(=O)N2CCC3(CN(C3)C(=O)N3CCc4[nH]nnc4C3)CC2)cc1 Show InChI InChI=1S/C22H25F3N6O4/c23-22(24,25)35-16-3-1-15(2-4-16)12-34-20(33)29-9-6-21(7-10-29)13-31(14-21)19(32)30-8-5-17-18(11-30)27-28-26-17/h1-4H,5-14H2,(H,26,27,28)	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
Hoffmann-La Roche Inc. US Patent					Assay Description ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...				US Patent US10633384 (2020) BindingDB Entry DOI: 10.7270/Q2K077BX
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM258584 (US10633384, Example 13 | US9493486, 13) Show SMILES FC(F)(F)Oc1ccc(COC(=O)N2CCC3(CN(C3)C(=O)N3CCc4[nH]nnc4C3)CC2)cc1 Show InChI InChI=1S/C22H25F3N6O4/c23-22(24,25)35-16-3-1-15(2-4-16)12-34-20(33)29-9-6-21(7-10-29)13-31(14-21)19(32)30-8-5-17-18(11-30)27-28-26-17/h1-4H,5-14H2,(H,26,27,28)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	8.0	30
Hoffmann-La Roches Inc. US Patent					Assay Description ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...				US Patent US9493486 (2016) BindingDB Entry DOI: 10.7270/Q2VT1R1K
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM258573 (US10633384, Example 12.35 | US9493486, 12.35) Show SMILES FC(F)(F)c1ccc(COC(=O)N2CCC3(CN(C3)C(=O)C3CCC4NN=NC4C3)CC2)cc1 |c:27| Show InChI InChI=1S/C23H28F3N5O3/c24-23(25,26)17-4-1-15(2-5-17)12-34-21(33)30-9-7-22(8-10-30)13-31(14-22)20(32)16-3-6-18-19(11-16)28-29-27-18/h1-2,4-5,16,18-19H,3,6-14H2,(H,27,28)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.5	n/a	n/a	n/a	n/a	8.0	30
Hoffmann-La Roches Inc. US Patent					Assay Description ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...				US Patent US9493486 (2016) BindingDB Entry DOI: 10.7270/Q2VT1R1K
					More data for this Ligand-Target Pair
Ataxin-2 (Homo sapiens (Human))	BDBM258573 (US10633384, Example 12.35 | US9493486, 12.35) Show SMILES FC(F)(F)c1ccc(COC(=O)N2CCC3(CN(C3)C(=O)C3CCC4NN=NC4C3)CC2)cc1 |c:27| Show InChI InChI=1S/C23H28F3N5O3/c24-23(25,26)17-4-1-15(2-5-17)12-34-21(33)30-9-7-22(8-10-30)13-31(14-22)20(32)16-3-6-18-19(11-16)28-29-27-18/h1-2,4-5,16,18-19H,3,6-14H2,(H,27,28)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.5	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...				US Patent US10633384 (2020) BindingDB Entry DOI: 10.7270/Q2K077BX
					More data for this Ligand-Target Pair
Ataxin-2 (Homo sapiens (Human))	BDBM258577 (US10633384, Example 12.39 | US9493486, 12.39) Show SMILES FC(F)(F)COc1ccc(COC(=O)N2CCC3(CN(C3)C(=O)C3CCc4nn[nH]c4C3)CC2)cc1 Show InChI	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...				US Patent US10633384 (2020) BindingDB Entry DOI: 10.7270/Q2K077BX
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM258577 (US10633384, Example 12.39 | US9493486, 12.39) Show SMILES FC(F)(F)COc1ccc(COC(=O)N2CCC3(CN(C3)C(=O)C3CCc4nn[nH]c4C3)CC2)cc1 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5	n/a	n/a	n/a	n/a	8.0	30
Hoffmann-La Roches Inc. US Patent					Assay Description ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...				US Patent US9493486 (2016) BindingDB Entry DOI: 10.7270/Q2VT1R1K
					More data for this Ligand-Target Pair
Ataxin-2 (Homo sapiens (Human))	BDBM258510 (US10633384, Example 3 | US9493486, 3) Show SMILES Clc1cc(Cl)cc(COC(=O)N2CCC3(CN(C3)S(=O)(=O)c3ccc4[nH]c(=O)oc4c3)CC2)c1 Show InChI InChI=1S/C22H21Cl2N3O6S/c23-15-7-14(8-16(24)9-15)11-32-21(29)26-5-3-22(4-6-26)12-27(13-22)34(30,31)17-1-2-18-19(10-17)33-20(28)25-18/h1-2,7-10H,3-6,11-13H2,(H,25,28)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...				US Patent US10633384 (2020) BindingDB Entry DOI: 10.7270/Q2K077BX
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM258510 (US10633384, Example 3 | US9493486, 3) Show SMILES Clc1cc(Cl)cc(COC(=O)N2CCC3(CN(C3)S(=O)(=O)c3ccc4[nH]c(=O)oc4c3)CC2)c1 Show InChI InChI=1S/C22H21Cl2N3O6S/c23-15-7-14(8-16(24)9-15)11-32-21(29)26-5-3-22(4-6-26)12-27(13-22)34(30,31)17-1-2-18-19(10-17)33-20(28)25-18/h1-2,7-10H,3-6,11-13H2,(H,25,28)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6	n/a	n/a	n/a	n/a	8.0	30
Hoffmann-La Roches Inc. US Patent					Assay Description ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...				US Patent US9493486 (2016) BindingDB Entry DOI: 10.7270/Q2VT1R1K
					More data for this Ligand-Target Pair
Ataxin-2 (Homo sapiens (Human))	BDBM258508 (BDBM258518 | US10633384, Example 5 | US9493486, 2....) Show SMILES Clc1cc(Cl)cc(COC(=O)N2CCC3(CN(C3)C(=O)c3ccc4[nH]c(=O)oc4c3)CC2)c1 Show InChI InChI=1S/C23H21Cl2N3O5/c24-16-7-14(8-17(25)10-16)11-32-22(31)27-5-3-23(4-6-27)12-28(13-23)20(29)15-1-2-18-19(9-15)33-21(30)26-18/h1-2,7-10H,3-6,11-13H2,(H,26,30)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...				US Patent US10633384 (2020) BindingDB Entry DOI: 10.7270/Q2K077BX
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM258508 (BDBM258518 | US10633384, Example 5 | US9493486, 2....) Show SMILES Clc1cc(Cl)cc(COC(=O)N2CCC3(CN(C3)C(=O)c3ccc4[nH]c(=O)oc4c3)CC2)c1 Show InChI InChI=1S/C23H21Cl2N3O5/c24-16-7-14(8-17(25)10-16)11-32-22(31)27-5-3-23(4-6-27)12-28(13-23)20(29)15-1-2-18-19(9-15)33-21(30)26-18/h1-2,7-10H,3-6,11-13H2,(H,26,30)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7	n/a	n/a	n/a	n/a	8.0	30
Hoffmann-La Roches Inc. US Patent					Assay Description ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...				US Patent US9493486 (2016) BindingDB Entry DOI: 10.7270/Q2VT1R1K
					More data for this Ligand-Target Pair
Ataxin-2 (Homo sapiens (Human))	BDBM258582 (US10633384, Example 12.44 | US9493486, 12.44) Show SMILES FC(F)(F)c1cc(Cl)cc(COC(=O)N2CCC3(CN(C3)C(=O)c3ccc4[nH]nnc4c3)CC2)c1 Show InChI InChI=1S/C23H21ClF3N5O3/c24-17-8-14(7-16(10-17)23(25,26)27)11-35-21(34)31-5-3-22(4-6-31)12-32(13-22)20(33)15-1-2-18-19(9-15)29-30-28-18/h1-2,7-10H,3-6,11-13H2,(H,28,29,30)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...				US Patent US10633384 (2020) BindingDB Entry DOI: 10.7270/Q2K077BX
					More data for this Ligand-Target Pair
Ataxin-2 (Homo sapiens (Human))	BDBM258504 (US10633384, Example 1.26 | US9493486, 1.26) Show SMILES CC(C)c1cc(Cl)ccc1OCC(=O)N1CCC2(CN(C2)C(=O)c2ccc3[nH]nnc3c2)CC1 Show InChI InChI=1S/C25H28ClN5O3/c1-16(2)19-12-18(26)4-6-22(19)34-13-23(32)30-9-7-25(8-10-30)14-31(15-25)24(33)17-3-5-20-21(11-17)28-29-27-20/h3-6,11-12,16H,7-10,13-15H2,1-2H3,(H,27,28,29)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...				US Patent US10633384 (2020) BindingDB Entry DOI: 10.7270/Q2K077BX
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM258582 (US10633384, Example 12.44 | US9493486, 12.44) Show SMILES FC(F)(F)c1cc(Cl)cc(COC(=O)N2CCC3(CN(C3)C(=O)c3ccc4[nH]nnc4c3)CC2)c1 Show InChI InChI=1S/C23H21ClF3N5O3/c24-17-8-14(7-16(10-17)23(25,26)27)11-35-21(34)31-5-3-22(4-6-31)12-32(13-22)20(33)15-1-2-18-19(9-15)29-30-28-18/h1-2,7-10H,3-6,11-13H2,(H,28,29,30)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	8	n/a	n/a	n/a	n/a	8.0	30
Hoffmann-La Roches Inc. US Patent					Assay Description ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...				US Patent US9493486 (2016) BindingDB Entry DOI: 10.7270/Q2VT1R1K
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM258504 (US10633384, Example 1.26 | US9493486, 1.26) Show SMILES CC(C)c1cc(Cl)ccc1OCC(=O)N1CCC2(CN(C2)C(=O)c2ccc3[nH]nnc3c2)CC1 Show InChI InChI=1S/C25H28ClN5O3/c1-16(2)19-12-18(26)4-6-22(19)34-13-23(32)30-9-7-25(8-10-30)14-31(15-25)24(33)17-3-5-20-21(11-17)28-29-27-20/h3-6,11-12,16H,7-10,13-15H2,1-2H3,(H,27,28,29)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	8	n/a	n/a	n/a	n/a	8.0	30
Hoffmann-La Roches Inc. US Patent					Assay Description ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...				US Patent US9493486 (2016) BindingDB Entry DOI: 10.7270/Q2VT1R1K
					More data for this Ligand-Target Pair
Ataxin-2 (Homo sapiens (Human))	BDBM258591 (BDBM440745 | US9493486, 16B) Show SMILES Fc1cc(ccc1COC(=O)N1CCC2(CN(C2)C(=O)[C@@H]2CCc3[nH]nnc3C2)CC1)C(F)(F)F |r| Show InChI	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...				US Patent US10633384 (2020) BindingDB Entry DOI: 10.7270/Q2K077BX
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM258591 (BDBM440745 | US9493486, 16B) Show SMILES Fc1cc(ccc1COC(=O)N1CCC2(CN(C2)C(=O)[C@@H]2CCc3[nH]nnc3C2)CC1)C(F)(F)F |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	9	n/a	n/a	n/a	n/a	8.0	30
Hoffmann-La Roches Inc. US Patent					Assay Description ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...				US Patent US9493486 (2016) BindingDB Entry DOI: 10.7270/Q2VT1R1K
					More data for this Ligand-Target Pair
Ataxin-2 (Homo sapiens (Human))	BDBM258572 (US10633384, Example 12.34 | US9493486, 12.34) Show SMILES FC(F)(F)Oc1ccc(COC(=O)N2CC3(C2)CCN(CC3)C(=O)C2CCc3[nH]nnc3C2)cc1 Show InChI	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...				US Patent US10633384 (2020) BindingDB Entry DOI: 10.7270/Q2K077BX
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM258572 (US10633384, Example 12.34 | US9493486, 12.34) Show SMILES FC(F)(F)Oc1ccc(COC(=O)N2CC3(C2)CCN(CC3)C(=O)C2CCc3[nH]nnc3C2)cc1 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	10	n/a	n/a	n/a	n/a	8.0	30
Hoffmann-La Roches Inc. US Patent					Assay Description ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...				US Patent US9493486 (2016) BindingDB Entry DOI: 10.7270/Q2VT1R1K
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (Homo sapiens (Human))	BDBM371829 (2-(8-(1H-Indazole-5-carbonyl)-4-oxo-1-phenyl-1,3,8...) Show SMILES O=C(CN1CN(c2ccccc2)C2(CCN(CC2)C(=O)c2ccc3[nH]ncc3c2)C1=O)Nc1ccccc1 Show InChI InChI=1S/C29H28N6O3/c36-26(31-23-7-3-1-4-8-23)19-34-20-35(24-9-5-2-6-10-24)29(28(34)38)13-15-33(16-14-29)27(37)21-11-12-25-22(17-21)18-30-32-25/h1-12,17-18H,13-16,19-20H2,(H,30,32)(H,31,36)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	10.6	n/a	n/a	n/a	n/a	n/a	n/a
Georgia Institute of Technology					Assay Description This assay is based on the intracellular domain of the DDR1 protein which contains the kinase active site. The recombinant protein additionally carri...				J Med Chem 51: 2816-32 (2008) BindingDB Entry DOI: 10.7270/Q2D220ZB
					More data for this Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1 (Homo sapiens (Human))	BDBM371829 (2-(8-(1H-Indazole-5-carbonyl)-4-oxo-1-phenyl-1,3,8...) Show SMILES O=C(CN1CN(c2ccccc2)C2(CCN(CC2)C(=O)c2ccc3[nH]ncc3c2)C1=O)Nc1ccccc1 Show InChI InChI=1S/C29H28N6O3/c36-26(31-23-7-3-1-4-8-23)19-34-20-35(24-9-5-2-6-10-24)29(28(34)38)13-15-33(16-14-29)27(37)21-11-12-25-22(17-21)18-30-32-25/h1-12,17-18H,13-16,19-20H2,(H,30,32)(H,31,36)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	10.6	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description This assay is based on the intracellular domain of the DDR1 protein which contains the kinase active site. The recombinant protein additionally carri...				US Patent US10435407 (2019) BindingDB Entry DOI: 10.7270/Q2MP55M4
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (Homo sapiens (Human))	BDBM371835 ((rac, trans)-2-(8-(1H-Indazole-5-carbonyl)-4-oxo-1...) Show SMILES O=C(CN1CN(c2ccccc2)C2(CCN(CC2)C(=O)c2ccc3[nH]ncc3c2)C1=O)N[C@H]1C[C@@H]1c1ccccc1 |r| Show InChI	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	10.9	n/a	n/a	n/a	n/a	n/a	n/a
Georgia Institute of Technology					Assay Description This assay is based on the intracellular domain of the DDR1 protein which contains the kinase active site. The recombinant protein additionally carri...				J Med Chem 51: 2816-32 (2008) BindingDB Entry DOI: 10.7270/Q2D220ZB
					More data for this Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1 (Homo sapiens (Human))	BDBM371835 ((rac, trans)-2-(8-(1H-Indazole-5-carbonyl)-4-oxo-1...) Show SMILES O=C(CN1CN(c2ccccc2)C2(CCN(CC2)C(=O)c2ccc3[nH]ncc3c2)C1=O)N[C@H]1C[C@@H]1c1ccccc1 |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	10.9	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description This assay is based on the intracellular domain of the DDR1 protein which contains the kinase active site. The recombinant protein additionally carri...				US Patent US10435407 (2019) BindingDB Entry DOI: 10.7270/Q2MP55M4
					More data for this Ligand-Target Pair
Ataxin-2 (Homo sapiens (Human))	BDBM258502 (US10633384, Example 1.24 | US9493486, 1.24) Show SMILES FC(F)(F)Oc1ccc(CCC(=O)N2CCC3(CN(C3)C(=O)c3ccc4[nH]nnc4c3)CC2)cc1 Show InChI InChI=1S/C24H24F3N5O3/c25-24(26,27)35-18-5-1-16(2-6-18)3-8-21(33)31-11-9-23(10-12-31)14-32(15-23)22(34)17-4-7-19-20(13-17)29-30-28-19/h1-2,4-7,13H,3,8-12,14-15H2,(H,28,29,30)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...				US Patent US10633384 (2020) BindingDB Entry DOI: 10.7270/Q2K077BX
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM258502 (US10633384, Example 1.24 | US9493486, 1.24) Show SMILES FC(F)(F)Oc1ccc(CCC(=O)N2CCC3(CN(C3)C(=O)c3ccc4[nH]nnc4c3)CC2)cc1 Show InChI InChI=1S/C24H24F3N5O3/c25-24(26,27)35-18-5-1-16(2-6-18)3-8-21(33)31-11-9-23(10-12-31)14-32(15-23)22(34)17-4-7-19-20(13-17)29-30-28-19/h1-2,4-7,13H,3,8-12,14-15H2,(H,28,29,30)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	12	n/a	n/a	n/a	n/a	8.0	30
Hoffmann-La Roches Inc. US Patent					Assay Description ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...				US Patent US9493486 (2016) BindingDB Entry DOI: 10.7270/Q2VT1R1K
					More data for this Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1 (Homo sapiens (Human))	BDBM372088 (N-Cyclopropyl-2-[4-oxo-1-phenyl-8-(1H-pyrazolo[3,4...) Show SMILES FC(F)(F)CN(C1CC1)C(=O)CN1CN(c2ccccc2)C2(CCN(CC2)C(=O)c2cnc3[nH]ncc3c2)C1=O Show InChI InChI=1S/C27H28F3N7O3/c28-27(29,30)16-36(20-6-7-20)22(38)15-35-17-37(21-4-2-1-3-5-21)26(25(35)40)8-10-34(11-9-26)24(39)19-12-18-14-32-33-23(18)31-13-19/h1-5,12-14,20H,6-11,15-17H2,(H,31,32,33)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	12.4	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description This assay is based on the intracellular domain of the DDR1 protein which contains the kinase active site. The recombinant protein additionally carri...				US Patent US10435407 (2019) BindingDB Entry DOI: 10.7270/Q2MP55M4
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (Homo sapiens (Human))	BDBM372088 (N-Cyclopropyl-2-[4-oxo-1-phenyl-8-(1H-pyrazolo[3,4...) Show SMILES FC(F)(F)CN(C1CC1)C(=O)CN1CN(c2ccccc2)C2(CCN(CC2)C(=O)c2cnc3[nH]ncc3c2)C1=O Show InChI InChI=1S/C27H28F3N7O3/c28-27(29,30)16-36(20-6-7-20)22(38)15-35-17-37(21-4-2-1-3-5-21)26(25(35)40)8-10-34(11-9-26)24(39)19-12-18-14-32-33-23(18)31-13-19/h1-5,12-14,20H,6-11,15-17H2,(H,31,32,33)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	12.4	n/a	n/a	n/a	n/a	n/a	n/a
Georgia Institute of Technology					Assay Description This assay is based on the intracellular domain of the DDR1 protein which contains the kinase active site. The recombinant protein additionally carri...				J Med Chem 51: 2816-32 (2008) BindingDB Entry DOI: 10.7270/Q2D220ZB
					More data for this Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1 (Homo sapiens (Human))	BDBM371821 (2-[1-(3-Fluoro-phenyl)-4-oxo-8-(1H-pyrazolo[3,4-b]...) Show SMILES Fc1cccc(c1)N1CN(CC(=O)NCC(F)(F)F)C(=O)C11CCN(CC1)C(=O)c1cnc2[nH]ncc2c1 Show InChI InChI=1S/C24H23F4N7O3/c25-17-2-1-3-18(9-17)35-14-34(12-19(36)30-13-24(26,27)28)22(38)23(35)4-6-33(7-5-23)21(37)16-8-15-11-31-32-20(15)29-10-16/h1-3,8-11H,4-7,12-14H2,(H,30,36)(H,29,31,32)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	12.7	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description This assay is based on the intracellular domain of the DDR1 protein which contains the kinase active site. The recombinant protein additionally carri...				US Patent US10435407 (2019) BindingDB Entry DOI: 10.7270/Q2MP55M4
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (Homo sapiens (Human))	BDBM371821 (2-[1-(3-Fluoro-phenyl)-4-oxo-8-(1H-pyrazolo[3,4-b]...) Show SMILES Fc1cccc(c1)N1CN(CC(=O)NCC(F)(F)F)C(=O)C11CCN(CC1)C(=O)c1cnc2[nH]ncc2c1 Show InChI InChI=1S/C24H23F4N7O3/c25-17-2-1-3-18(9-17)35-14-34(12-19(36)30-13-24(26,27)28)22(38)23(35)4-6-33(7-5-23)21(37)16-8-15-11-31-32-20(15)29-10-16/h1-3,8-11H,4-7,12-14H2,(H,30,36)(H,29,31,32)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	12.7	n/a	n/a	n/a	n/a	n/a	n/a
Georgia Institute of Technology					Assay Description This assay is based on the intracellular domain of the DDR1 protein which contains the kinase active site. The recombinant protein additionally carri...				J Med Chem 51: 2816-32 (2008) BindingDB Entry DOI: 10.7270/Q2D220ZB
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (Homo sapiens (Human))	BDBM372102 (2-(1-(3-Chlorophenyl)-4-oxo-8-(1H-pyrazolo[3,4-b]p...) Show SMILES FC(F)(F)CNC(=O)CN1CN(c2cccc(Cl)c2)C2(CCN(CC2)C(=O)c2cnc3[nH]ncc3c2)C1=O Show InChI InChI=1S/C24H23ClF3N7O3/c25-17-2-1-3-18(9-17)35-14-34(12-19(36)30-13-24(26,27)28)22(38)23(35)4-6-33(7-5-23)21(37)16-8-15-11-31-32-20(15)29-10-16/h1-3,8-11H,4-7,12-14H2,(H,30,36)(H,29,31,32)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	12.9	n/a	n/a	n/a	n/a	n/a	n/a
Georgia Institute of Technology					Assay Description This assay is based on the intracellular domain of the DDR1 protein which contains the kinase active site. The recombinant protein additionally carri...				J Med Chem 51: 2816-32 (2008) BindingDB Entry DOI: 10.7270/Q2D220ZB
					More data for this Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1 (Homo sapiens (Human))	BDBM372102 (2-(1-(3-Chlorophenyl)-4-oxo-8-(1H-pyrazolo[3,4-b]p...) Show SMILES FC(F)(F)CNC(=O)CN1CN(c2cccc(Cl)c2)C2(CCN(CC2)C(=O)c2cnc3[nH]ncc3c2)C1=O Show InChI InChI=1S/C24H23ClF3N7O3/c25-17-2-1-3-18(9-17)35-14-34(12-19(36)30-13-24(26,27)28)22(38)23(35)4-6-33(7-5-23)21(37)16-8-15-11-31-32-20(15)29-10-16/h1-3,8-11H,4-7,12-14H2,(H,30,36)(H,29,31,32)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	12.9	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description This assay is based on the intracellular domain of the DDR1 protein which contains the kinase active site. The recombinant protein additionally carri...				US Patent US10435407 (2019) BindingDB Entry DOI: 10.7270/Q2MP55M4
					More data for this Ligand-Target Pair

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