Compile Data Set for Download or QSAR

Found 102 hits with Last Name = 'wovkulich' and Initial = 'pm'   

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
Tyrosine-protein kinase SYK [360-635] (Homo sapiens (Human))	BDBM227529 (US9334278, I-18) Show SMILES Cc1cc(Nc2cnc3[nH]cc(C(=O)NC(C)(C)C)c3n2)sn1 Show InChI InChI=1S/C15H18N6OS/c1-8-5-11(23-21-8)18-10-7-17-13-12(19-10)9(6-16-13)14(22)20-15(2,3)4/h5-7H,1-4H3,(H,16,17)(H,18,19)(H,20,22)	PDB 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	30
Hoffmann-La Roche Inc. US Patent					Assay Description Assay plates: 96-well MultiScreen 0.65 μm filter plates (Millipore Cat. No.: MADVNOB 10) Streptavidin coated beads: Streptavidin Sepharose™,...				US Patent US9334278 (2016) BindingDB Entry DOI: 10.7270/Q2JD4VN3
					More data for this Ligand-Target Pair
Tyrosine-protein kinase SYK [360-635] (Homo sapiens (Human))	BDBM227523 (US9334278, I-12) Show SMILES Cc1ccc(Nc2cnc3[nH]cc(C(=O)NC(C)(C)C)c3n2)cc1 Show InChI InChI=1S/C18H21N5O/c1-11-5-7-12(8-6-11)21-14-10-20-16-15(22-14)13(9-19-16)17(24)23-18(2,3)4/h5-10H,1-4H3,(H,19,20)(H,21,22)(H,23,24)	PDB UniProtKB/SwissProt 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	30
Hoffmann-La Roche Inc. US Patent					Assay Description Assay plates: 96-well MultiScreen 0.65 μm filter plates (Millipore Cat. No.: MADVNOB 10) Streptavidin coated beads: Streptavidin Sepharose™,...				US Patent US9334278 (2016) BindingDB Entry DOI: 10.7270/Q2JD4VN3
					More data for this Ligand-Target Pair
Tyrosine-protein kinase SYK [360-635] (Homo sapiens (Human))	BDBM227549 (US9334278, I-37) Show SMILES Cc1nc2[nH]cc(C(=O)NC(C)(C)C)c2nc1Nc1ccccc1 Show InChI InChI=1S/C18H21N5O/c1-11-15(21-12-8-6-5-7-9-12)22-14-13(10-19-16(14)20-11)17(24)23-18(2,3)4/h5-10H,1-4H3,(H,19,20)(H,21,22)(H,23,24)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.80	n/a	n/a	n/a	n/a	n/a	30
Hoffmann-La Roche Inc. US Patent					Assay Description Assay plates: 96-well MultiScreen 0.65 μm filter plates (Millipore Cat. No.: MADVNOB 10) Streptavidin coated beads: Streptavidin Sepharose™,...				US Patent US9334278 (2016) BindingDB Entry DOI: 10.7270/Q2JD4VN3
					More data for this Ligand-Target Pair
Tyrosine-protein kinase SYK [360-635] (Homo sapiens (Human))	BDBM227537 (US9334278, I-26) Show SMILES CC(C)(CO)NC(=O)c1c[nH]c2ncc(Nc3cccnc3)nc12 Show InChI InChI=1S/C16H18N6O2/c1-16(2,9-23)22-15(24)11-7-18-14-13(11)21-12(8-19-14)20-10-4-3-5-17-6-10/h3-8,23H,9H2,1-2H3,(H,18,19)(H,20,21)(H,22,24)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.60	n/a	n/a	n/a	n/a	n/a	30
Hoffmann-La Roche Inc. US Patent					Assay Description Assay plates: 96-well MultiScreen 0.65 μm filter plates (Millipore Cat. No.: MADVNOB 10) Streptavidin coated beads: Streptavidin Sepharose™,...				US Patent US9334278 (2016) BindingDB Entry DOI: 10.7270/Q2JD4VN3
					More data for this Ligand-Target Pair
Tyrosine-protein kinase SYK [360-635] (Homo sapiens (Human))	BDBM227535 (US9334278, I-24) Show SMILES CC(O)c1cccc(Nc2cnc3[nH]cc(C(=O)NC(C)(C)C)c3n2)c1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.90	n/a	n/a	n/a	n/a	n/a	30
Hoffmann-La Roche Inc. US Patent					Assay Description Assay plates: 96-well MultiScreen 0.65 μm filter plates (Millipore Cat. No.: MADVNOB 10) Streptavidin coated beads: Streptavidin Sepharose™,...				US Patent US9334278 (2016) BindingDB Entry DOI: 10.7270/Q2JD4VN3
					More data for this Ligand-Target Pair
Tyrosine-protein kinase SYK [360-635] (Homo sapiens (Human))	BDBM227512 (US9334278, I-1) Show SMILES Cc1ccc(Nc2cnc3[nH]cc(C(=O)NC(C)(C)C)c3n2)nc1 Show InChI InChI=1S/C17H20N6O/c1-10-5-6-12(18-7-10)21-13-9-20-15-14(22-13)11(8-19-15)16(24)23-17(2,3)4/h5-9H,1-4H3,(H,19,20)(H,23,24)(H,18,21,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	8.5	n/a	n/a	n/a	n/a	n/a	30
Hoffmann-La Roche Inc. US Patent					Assay Description Assay plates: 96-well MultiScreen 0.65 μm filter plates (Millipore Cat. No.: MADVNOB 10) Streptavidin coated beads: Streptavidin Sepharose™,...				US Patent US9334278 (2016) BindingDB Entry DOI: 10.7270/Q2JD4VN3
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Homo sapiens (Human))	BDBM291171 (US9580411, Example 86) Show SMILES Fc1ccc(cc1)N(CC(=O)NCc1cc(ncn1)-c1ccc(nc1)C(F)(F)F)S(=O)(=O)c1ccc(F)cc1 Show InChI InChI=1S/C25H18F5N5O3S/c26-17-2-6-20(7-3-17)35(39(37,38)21-8-4-18(27)5-9-21)14-24(36)32-13-19-11-22(34-15-33-19)16-1-10-23(31-12-16)25(28,29)30/h1-12,15H,13-14H2,(H,32,36)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	25
Hoffmann-La Roche Inc. US Patent					Assay Description IC50s (effective concentration) of compounds on the human TRPA1 channel were determined using a Hamamatsu FDSS fluorescence plate reader. CHO cells e...				US Patent US9580411 (2017) BindingDB Entry DOI: 10.7270/Q25T3NJM
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1/G1/S-specific cyclin-E2 (Homo sapiens (Human))	BDBM50328264 (5-(2-chlorophenyl)-3-isopropyl-7-nitro-2,10-dihydr...) Show SMILES CC(C)c1n[nH]c2Nc3ccc(cc3C(=Nc12)c1ccccc1Cl)[N+]([O-])=O |c:15| Show InChI InChI=1S/C19H16ClN5O2/c1-10(2)16-18-19(24-23-16)21-15-8-7-11(25(26)27)9-13(15)17(22-18)12-5-3-4-6-14(12)20/h3-10H,1-2H3,(H2,21,23,24)	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. Curated by ChEMBL					Assay Description Inhibition of CDK2-cyclin E				Bioorg Med Chem Lett 20: 5984-7 (2010) Article DOI: 10.1016/j.bmcl.2010.08.079 BindingDB Entry DOI: 10.7270/Q21C1X42
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50426474 (CHEMBL1980391) Show SMILES COc1cc2Nc3[nH]nc(C)c3N=C(c3ccccc3Cl)c2cc1F |t:13| Show InChI InChI=1S/C18H14ClFN4O/c1-9-16-18(24-23-9)21-14-8-15(25-2)13(20)7-11(14)17(22-16)10-5-3-4-6-12(10)19/h3-8H,1-2H3,(H2,21,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. Curated by ChEMBL					Assay Description Inhibition of KDR (unknown origin)				ACS Med Chem Lett 4: 259-63 (2013) Article DOI: 10.1021/ml300351e BindingDB Entry DOI: 10.7270/Q2902541
					More data for this Ligand-Target Pair
Tyrosine-protein kinase SYK [360-635] (Homo sapiens (Human))	BDBM227522 (US9334278, I-11) Show SMILES Cc1ccc(Nc2cnc3[nH]cc(C(=O)NC(C)(C)C)c3n2)c(F)c1 Show InChI InChI=1S/C18H20FN5O/c1-10-5-6-13(12(19)7-10)22-14-9-21-16-15(23-14)11(8-20-16)17(25)24-18(2,3)4/h5-9H,1-4H3,(H,20,21)(H,22,23)(H,24,25)	PDB UniProtKB/SwissProt 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	30
Hoffmann-La Roche Inc. US Patent					Assay Description Assay plates: 96-well MultiScreen 0.65 μm filter plates (Millipore Cat. No.: MADVNOB 10) Streptavidin coated beads: Streptavidin Sepharose™,...				US Patent US9334278 (2016) BindingDB Entry DOI: 10.7270/Q2JD4VN3
					More data for this Ligand-Target Pair
Tyrosine-protein kinase SYK [360-635] (Homo sapiens (Human))	BDBM227524 (US9334278, I-13) Show SMILES CC(C)(C)NC(=O)c1c[nH]c2ncc(Nc3cccc(c3)S(C)(=O)=O)nc12 Show InChI InChI=1S/C18H21N5O3S/c1-18(2,3)23-17(24)13-9-19-16-15(13)22-14(10-20-16)21-11-6-5-7-12(8-11)27(4,25)26/h5-10H,1-4H3,(H,19,20)(H,21,22)(H,23,24)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	12.8	n/a	n/a	n/a	n/a	n/a	30
Hoffmann-La Roche Inc. US Patent					Assay Description Assay plates: 96-well MultiScreen 0.65 μm filter plates (Millipore Cat. No.: MADVNOB 10) Streptavidin coated beads: Streptavidin Sepharose™,...				US Patent US9334278 (2016) BindingDB Entry DOI: 10.7270/Q2JD4VN3
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Homo sapiens (Human))	BDBM291170 (2-[N-(Propan-2-yl)(4-fluorobenzene)sulfonamido]-N-...) Show SMILES CC(C)N(CC(=O)NCc1cc(ncn1)C1=CCC(CC1)C(F)(F)F)S(=O)(=O)c1ccc(F)cc1 |t:16| Show InChI InChI=1S/C23H26F4N4O3S/c1-15(2)31(35(33,34)20-9-7-18(24)8-10-20)13-22(32)28-12-19-11-21(30-14-29-19)16-3-5-17(6-4-16)23(25,26)27/h3,7-11,14-15,17H,4-6,12-13H2,1-2H3,(H,28,32)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	25
Hoffmann-La Roche Inc. US Patent					Assay Description IC50s (effective concentration) of compounds on the human TRPA1 channel were determined using a Hamamatsu FDSS fluorescence plate reader. CHO cells e...				US Patent US9580411 (2017) BindingDB Entry DOI: 10.7270/Q25T3NJM
					More data for this Ligand-Target Pair
Tyrosine-protein kinase SYK [360-635] (Homo sapiens (Human))	BDBM227516 (US9334278, I-5) Show SMILES Cn1cc(Nc2cnc3[nH]cc(C(=O)NC(C)(C)C)c3n2)cn1 Show InChI InChI=1S/C15H19N7O/c1-15(2,3)21-14(23)10-6-16-13-12(10)20-11(7-17-13)19-9-5-18-22(4)8-9/h5-8H,1-4H3,(H,16,17)(H,19,20)(H,21,23)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	13.7	n/a	n/a	n/a	n/a	n/a	30
Hoffmann-La Roche Inc. US Patent					Assay Description Assay plates: 96-well MultiScreen 0.65 μm filter plates (Millipore Cat. No.: MADVNOB 10) Streptavidin coated beads: Streptavidin Sepharose™,...				US Patent US9334278 (2016) BindingDB Entry DOI: 10.7270/Q2JD4VN3
					More data for this Ligand-Target Pair
Tyrosine-protein kinase SYK [360-635] (Homo sapiens (Human))	BDBM227520 (US9334278, I-9) Show SMILES Cc1cc(Nc2cnc3[nH]cc(C(=O)NC(C)(C)C)c3n2)[nH]n1 Show InChI InChI=1S/C15H19N7O/c1-8-5-10(22-21-8)18-11-7-17-13-12(19-11)9(6-16-13)14(23)20-15(2,3)4/h5-7H,1-4H3,(H,16,17)(H,20,23)(H2,18,19,21,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	15.5	n/a	n/a	n/a	n/a	n/a	30
Hoffmann-La Roche Inc. US Patent					Assay Description Assay plates: 96-well MultiScreen 0.65 μm filter plates (Millipore Cat. No.: MADVNOB 10) Streptavidin coated beads: Streptavidin Sepharose™,...				US Patent US9334278 (2016) BindingDB Entry DOI: 10.7270/Q2JD4VN3
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1/G1/S-specific cyclin-E2 (Homo sapiens (Human))	BDBM50328256 (5-(2-fluorophenyl)-2,10-dihydrobenzo[e]pyrazolo[4,...) Show SMILES Fc1ccccc1C1=Nc2cn[nH]c2Nc2ccc(cc12)C#N |t:8| Show InChI InChI=1S/C17H10FN5/c18-13-4-2-1-3-11(13)16-12-7-10(8-19)5-6-14(12)22-17-15(21-16)9-20-23-17/h1-7,9H,(H2,20,22,23)	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. Curated by ChEMBL					Assay Description Inhibition of CDK2-cyclin E				Bioorg Med Chem Lett 20: 5984-7 (2010) Article DOI: 10.1016/j.bmcl.2010.08.079 BindingDB Entry DOI: 10.7270/Q21C1X42
					More data for this Ligand-Target Pair
Tyrosine-protein kinase SYK [360-635] (Homo sapiens (Human))	BDBM227521 (US9334278, I-10) Show SMILES CC(C)(C)NC(=O)c1c[nH]c2ncc(Nc3cccnc3)nc12 Show InChI InChI=1S/C16H18N6O/c1-16(2,3)22-15(23)11-8-18-14-13(11)21-12(9-19-14)20-10-5-4-6-17-7-10/h4-9H,1-3H3,(H,18,19)(H,20,21)(H,22,23)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	16.3	n/a	n/a	n/a	n/a	n/a	30
Hoffmann-La Roche Inc. US Patent					Assay Description Assay plates: 96-well MultiScreen 0.65 μm filter plates (Millipore Cat. No.: MADVNOB 10) Streptavidin coated beads: Streptavidin Sepharose™,...				US Patent US9334278 (2016) BindingDB Entry DOI: 10.7270/Q2JD4VN3
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1/G1/S-specific cyclin-E2 (Homo sapiens (Human))	BDBM50328279 (5-(2-fluorophenyl)-2,10-dihydrobenzo[e]pyrazolo[4,...) Show SMILES NC(=O)c1ccc2Nc3[nH]ncc3N=C(c3ccccc3F)c2c1 |t:14| Show InChI InChI=1S/C17H12FN5O/c18-12-4-2-1-3-10(12)15-11-7-9(16(19)24)5-6-13(11)22-17-14(21-15)8-20-23-17/h1-8H,(H2,19,24)(H2,20,22,23)	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. Curated by ChEMBL					Assay Description Inhibition of CDK2-cyclin E				Bioorg Med Chem Lett 20: 5984-7 (2010) Article DOI: 10.1016/j.bmcl.2010.08.079 BindingDB Entry DOI: 10.7270/Q21C1X42
					More data for this Ligand-Target Pair
Tyrosine-protein kinase SYK [360-635] (Homo sapiens (Human))	BDBM227517 (US9334278, I-6) Show SMILES Cc1ccc(Nc2cnc3[nH]cc(C(=O)NC(C)(C)C)c3n2)cn1 Show InChI InChI=1S/C17H20N6O/c1-10-5-6-11(7-18-10)21-13-9-20-15-14(22-13)12(8-19-15)16(24)23-17(2,3)4/h5-9H,1-4H3,(H,19,20)(H,21,22)(H,23,24)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	17.1	n/a	n/a	n/a	n/a	n/a	30
Hoffmann-La Roche Inc. US Patent					Assay Description Assay plates: 96-well MultiScreen 0.65 μm filter plates (Millipore Cat. No.: MADVNOB 10) Streptavidin coated beads: Streptavidin Sepharose™,...				US Patent US9334278 (2016) BindingDB Entry DOI: 10.7270/Q2JD4VN3
					More data for this Ligand-Target Pair
Tyrosine-protein kinase SYK [360-635] (Homo sapiens (Human))	BDBM227542 (US9334278, I-31) Show SMILES Cc1nsc(Nc2cnc3[nH]cc(C(=O)NC(C)(C)C)c3n2)n1 Show InChI InChI=1S/C14H17N7OS/c1-7-17-13(23-21-7)19-9-6-16-11-10(18-9)8(5-15-11)12(22)20-14(2,3)4/h5-6H,1-4H3,(H,15,16)(H,20,22)(H,17,18,19,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	17.8	n/a	n/a	n/a	n/a	n/a	30
Hoffmann-La Roche Inc. US Patent					Assay Description Assay plates: 96-well MultiScreen 0.65 μm filter plates (Millipore Cat. No.: MADVNOB 10) Streptavidin coated beads: Streptavidin Sepharose™,...				US Patent US9334278 (2016) BindingDB Entry DOI: 10.7270/Q2JD4VN3
					More data for this Ligand-Target Pair
Tyrosine-protein kinase SYK [360-635] (Homo sapiens (Human))	BDBM227538 (US9334278, I-27) Show SMILES CC(N)c1cccc(Nc2cnc3[nH]cc(C(=O)NC(C)(C)C)c3n2)c1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	18.8	n/a	n/a	n/a	n/a	n/a	30
Hoffmann-La Roche Inc. US Patent					Assay Description Assay plates: 96-well MultiScreen 0.65 μm filter plates (Millipore Cat. No.: MADVNOB 10) Streptavidin coated beads: Streptavidin Sepharose™,...				US Patent US9334278 (2016) BindingDB Entry DOI: 10.7270/Q2JD4VN3
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1/G1/S-specific cyclin-E2 (Homo sapiens (Human))	BDBM50328267 (5-(2-chlorophenyl)-7-nitro-3-(1H-pyrrol-2-yl)-2,10...) Show SMILES [O-][N+](=O)c1ccc2Nc3[nH]nc(-c4ccc[nH]4)c3N=C(c3ccccc3Cl)c2c1 |t:20| Show InChI InChI=1S/C20H13ClN6O2/c21-14-5-2-1-4-12(14)17-13-10-11(27(28)29)7-8-15(13)23-20-19(24-17)18(25-26-20)16-6-3-9-22-16/h1-10,22H,(H2,23,25,26)	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. Curated by ChEMBL					Assay Description Inhibition of CDK2-cyclin E				Bioorg Med Chem Lett 20: 5984-7 (2010) Article DOI: 10.1016/j.bmcl.2010.08.079 BindingDB Entry DOI: 10.7270/Q21C1X42
					More data for this Ligand-Target Pair
Tyrosine-protein kinase SYK [360-635] (Homo sapiens (Human))	BDBM227514 (US9334278, I-3) Show SMILES Cn1ccc(Nc2cnc3[nH]cc(C(=O)NC(C)(C)C)c3n2)n1 Show InChI InChI=1S/C15H19N7O/c1-15(2,3)20-14(23)9-7-16-13-12(9)19-11(8-17-13)18-10-5-6-22(4)21-10/h5-8H,1-4H3,(H,16,17)(H,20,23)(H,18,19,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	21.1	n/a	n/a	n/a	n/a	n/a	30
Hoffmann-La Roche Inc. US Patent					Assay Description Assay plates: 96-well MultiScreen 0.65 μm filter plates (Millipore Cat. No.: MADVNOB 10) Streptavidin coated beads: Streptavidin Sepharose™,...				US Patent US9334278 (2016) BindingDB Entry DOI: 10.7270/Q2JD4VN3
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk2 (Homo sapiens (Human))	BDBM50426474 (CHEMBL1980391) Show SMILES COc1cc2Nc3[nH]nc(C)c3N=C(c3ccccc3Cl)c2cc1F |t:13| Show InChI InChI=1S/C18H14ClFN4O/c1-9-16-18(24-23-9)21-14-8-15(25-2)13(20)7-11(14)17(22-16)10-5-3-4-6-12(10)19/h3-8H,1-2H3,(H2,21,23,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. Curated by ChEMBL					Assay Description Inhibition of CHK2 (unknown origin)				ACS Med Chem Lett 4: 259-63 (2013) Article DOI: 10.1021/ml300351e BindingDB Entry DOI: 10.7270/Q2902541
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1/G1/S-specific cyclin-E2 (Homo sapiens (Human))	BDBM50328280 (CHEMBL1258022 | N-(5-(2-chlorophenyl)-2,10-dihydro...) Show SMILES CS(=O)(=O)Nc1ccc2Nc3[nH]ncc3N=C(c3ccccc3Cl)c2c1 |t:16| Show InChI InChI=1S/C17H14ClN5O2S/c1-26(24,25)23-10-6-7-14-12(8-10)16(11-4-2-3-5-13(11)18)20-15-9-19-22-17(15)21-14/h2-9,23H,1H3,(H2,19,21,22)	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. Curated by ChEMBL					Assay Description Inhibition of CDK2-cyclin E				Bioorg Med Chem Lett 20: 5984-7 (2010) Article DOI: 10.1016/j.bmcl.2010.08.079 BindingDB Entry DOI: 10.7270/Q21C1X42
					More data for this Ligand-Target Pair
Tyrosine-protein kinase SYK [360-635] (Homo sapiens (Human))	BDBM227533 (US9334278, I-22) Show SMILES Cc1cc(Nc2cnc3[nH]cc(C(=O)NC(C)(C)C)c3n2)on1 Show InChI InChI=1S/C15H18N6O2/c1-8-5-11(23-21-8)18-10-7-17-13-12(19-10)9(6-16-13)14(22)20-15(2,3)4/h5-7H,1-4H3,(H,16,17)(H,18,19)(H,20,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	25.1	n/a	n/a	n/a	n/a	n/a	30
Hoffmann-La Roche Inc. US Patent					Assay Description Assay plates: 96-well MultiScreen 0.65 μm filter plates (Millipore Cat. No.: MADVNOB 10) Streptavidin coated beads: Streptavidin Sepharose™,...				US Patent US9334278 (2016) BindingDB Entry DOI: 10.7270/Q2JD4VN3
					More data for this Ligand-Target Pair
Tyrosine-protein kinase SYK [360-635] (Homo sapiens (Human))	BDBM227513 (US9334278, I-2) Show SMILES Cc1ccc(Nc2cnc3[nH]cc(C(=O)NC(C)(C)CO)c3n2)nc1 Show InChI InChI=1S/C17H20N6O2/c1-10-4-5-12(18-6-10)21-13-8-20-15-14(22-13)11(7-19-15)16(25)23-17(2,3)9-24/h4-8,24H,9H2,1-3H3,(H,19,20)(H,23,25)(H,18,21,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	27.4	n/a	n/a	n/a	n/a	n/a	30
Hoffmann-La Roche Inc. US Patent					Assay Description Assay plates: 96-well MultiScreen 0.65 μm filter plates (Millipore Cat. No.: MADVNOB 10) Streptavidin coated beads: Streptavidin Sepharose™,...				US Patent US9334278 (2016) BindingDB Entry DOI: 10.7270/Q2JD4VN3
					More data for this Ligand-Target Pair
Fibroblast growth factor receptor 1 (Homo sapiens (Human))	BDBM50426474 (CHEMBL1980391) Show SMILES COc1cc2Nc3[nH]nc(C)c3N=C(c3ccccc3Cl)c2cc1F |t:13| Show InChI InChI=1S/C18H14ClFN4O/c1-9-16-18(24-23-9)21-14-8-15(25-2)13(20)7-11(14)17(22-16)10-5-3-4-6-12(10)19/h3-8H,1-2H3,(H2,21,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. Curated by ChEMBL					Assay Description Inhibition of FGFR1 (unknown origin)				ACS Med Chem Lett 4: 259-63 (2013) Article DOI: 10.1021/ml300351e BindingDB Entry DOI: 10.7270/Q2902541
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Homo sapiens (Human))	BDBM291169 (1-(4-Fluoro-N-isopropylphenylsulfonamido)-N-((6-(6...) Show SMILES CC(C)N(C1(CC1)C(=O)NCc1cc(ncn1)-c1ccc(nc1)C(F)(F)F)S(=O)(=O)c1ccc(F)cc1 Show InChI InChI=1S/C24H23F4N5O3S/c1-15(2)33(37(35,36)19-6-4-17(25)5-7-19)23(9-10-23)22(34)30-13-18-11-20(32-14-31-18)16-3-8-21(29-12-16)24(26,27)28/h3-8,11-12,14-15H,9-10,13H2,1-2H3,(H,30,34)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	25
Hoffmann-La Roche Inc. US Patent					Assay Description IC50s (effective concentration) of compounds on the human TRPA1 channel were determined using a Hamamatsu FDSS fluorescence plate reader. CHO cells e...				US Patent US9580411 (2017) BindingDB Entry DOI: 10.7270/Q25T3NJM
					More data for this Ligand-Target Pair
Tyrosine-protein kinase SYK [360-635] (Homo sapiens (Human))	BDBM227531 (US9334278, I-20) Show SMILES CC(C)(C)NC(=O)c1c[nH]c2ncc(Nc3ccc(cc3)S(C)(=O)=O)nc12 Show InChI InChI=1S/C18H21N5O3S/c1-18(2,3)23-17(24)13-9-19-16-15(13)22-14(10-20-16)21-11-5-7-12(8-6-11)27(4,25)26/h5-10H,1-4H3,(H,19,20)(H,21,22)(H,23,24)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	30
Hoffmann-La Roche Inc. US Patent					Assay Description Assay plates: 96-well MultiScreen 0.65 μm filter plates (Millipore Cat. No.: MADVNOB 10) Streptavidin coated beads: Streptavidin Sepharose™,...				US Patent US9334278 (2016) BindingDB Entry DOI: 10.7270/Q2JD4VN3
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50328258 (CHEMBL1257912 | N-(5-(2-chlorophenyl)-2,10-dihydro...) Show SMILES CC(=O)Nc1ccc2Nc3[nH]ncc3N=C(c3ccccc3Cl)c2c1 |t:15| Show InChI InChI=1S/C18H14ClN5O/c1-10(25)21-11-6-7-15-13(8-11)17(12-4-2-3-5-14(12)19)22-16-9-20-24-18(16)23-15/h2-9H,1H3,(H,21,25)(H2,20,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	33	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. Curated by ChEMBL					Assay Description Inhibition of KDR				Bioorg Med Chem Lett 20: 5984-7 (2010) Article DOI: 10.1016/j.bmcl.2010.08.079 BindingDB Entry DOI: 10.7270/Q21C1X42
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50426473 (CHEMBL2322701) Show SMILES Cc1n[nH]c2Nc3ccc(N)cc3C(=Nc12)c1ccccc1Cl |c:14| Show InChI InChI=1S/C17H14ClN5/c1-9-15-17(23-22-9)20-14-7-6-10(19)8-12(14)16(21-15)11-4-2-3-5-13(11)18/h2-8H,19H2,1H3,(H2,20,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	34	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. Curated by ChEMBL					Assay Description Inhibition of KDR (unknown origin)				ACS Med Chem Lett 4: 259-63 (2013) Article DOI: 10.1021/ml300351e BindingDB Entry DOI: 10.7270/Q2902541
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50328257 (5-(2-chlorophenyl)-2,10-dihydrobenzo[e]pyrazolo[4,...) Show SMILES Nc1ccc2Nc3[nH]ncc3N=C(c3ccccc3Cl)c2c1 |t:12| Show InChI InChI=1S/C16H12ClN5/c17-12-4-2-1-3-10(12)15-11-7-9(18)5-6-13(11)21-16-14(20-15)8-19-22-16/h1-8H,18H2,(H2,19,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	34	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. Curated by ChEMBL					Assay Description Inhibition of KDR				Bioorg Med Chem Lett 20: 5984-7 (2010) Article DOI: 10.1016/j.bmcl.2010.08.079 BindingDB Entry DOI: 10.7270/Q21C1X42
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1/G1/S-specific cyclin-E2 (Homo sapiens (Human))	BDBM50328255 (5-(2-chlorophenyl)-3-methyl-7-nitro-2,10-dihydrobe...) Show SMILES Cc1n[nH]c2Nc3ccc(cc3C(=Nc12)c1ccccc1Cl)[N+]([O-])=O |c:13| Show InChI InChI=1S/C17H12ClN5O2/c1-9-15-17(22-21-9)19-14-7-6-10(23(24)25)8-12(14)16(20-15)11-4-2-3-5-13(11)18/h2-8H,1H3,(H2,19,21,22)	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	35	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. Curated by ChEMBL					Assay Description Inhibition of CDK2-cyclin E				Bioorg Med Chem Lett 20: 5984-7 (2010) Article DOI: 10.1016/j.bmcl.2010.08.079 BindingDB Entry DOI: 10.7270/Q21C1X42
					More data for this Ligand-Target Pair
Tyrosine-protein kinase SYK [360-635] (Homo sapiens (Human))	BDBM227525 (US9334278, I-14) Show SMILES CCn1cc(Nc2cnc3[nH]cc(C(=O)NC(C)(C)C)c3n2)cn1 Show InChI InChI=1S/C16H21N7O/c1-5-23-9-10(6-19-23)20-12-8-18-14-13(21-12)11(7-17-14)15(24)22-16(2,3)4/h6-9H,5H2,1-4H3,(H,17,18)(H,20,21)(H,22,24)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	35.9	n/a	n/a	n/a	n/a	n/a	30
Hoffmann-La Roche Inc. US Patent					Assay Description Assay plates: 96-well MultiScreen 0.65 μm filter plates (Millipore Cat. No.: MADVNOB 10) Streptavidin coated beads: Streptavidin Sepharose™,...				US Patent US9334278 (2016) BindingDB Entry DOI: 10.7270/Q2JD4VN3
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1/G1/S-specific cyclin-E2 (Homo sapiens (Human))	BDBM50328258 (CHEMBL1257912 | N-(5-(2-chlorophenyl)-2,10-dihydro...) Show SMILES CC(=O)Nc1ccc2Nc3[nH]ncc3N=C(c3ccccc3Cl)c2c1 |t:15| Show InChI InChI=1S/C18H14ClN5O/c1-10(25)21-11-6-7-15-13(8-11)17(12-4-2-3-5-14(12)19)22-16-9-20-24-18(16)23-15/h2-9H,1H3,(H,21,25)(H2,20,23,24)	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	38	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. Curated by ChEMBL					Assay Description Inhibition of CDK2-cyclin E				Bioorg Med Chem Lett 20: 5984-7 (2010) Article DOI: 10.1016/j.bmcl.2010.08.079 BindingDB Entry DOI: 10.7270/Q21C1X42
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Homo sapiens (Human))	BDBM291163 (US9580411, Example 79-(R) | US9580411, Example 79-...) Show SMILES CC(C)N(CC(=O)NCc1cccc(c1)-c1cnc(nc1)N1CCC[C@@H]1C)S(=O)(=O)c1ccc(F)cc1 |r| Show InChI InChI=1S/C27H32FN5O3S/c1-19(2)33(37(35,36)25-11-9-24(28)10-12-25)18-26(34)29-15-21-7-4-8-22(14-21)23-16-30-27(31-17-23)32-13-5-6-20(32)3/h4,7-12,14,16-17,19-20H,5-6,13,15,18H2,1-3H3,(H,29,34)/t20-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	38	n/a	n/a	n/a	n/a	n/a	25
Hoffmann-La Roche Inc. US Patent					Assay Description IC50s (effective concentration) of compounds on the human TRPA1 channel were determined using a Hamamatsu FDSS fluorescence plate reader. CHO cells e...				US Patent US9580411 (2017) BindingDB Entry DOI: 10.7270/Q25T3NJM
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50328256 (5-(2-fluorophenyl)-2,10-dihydrobenzo[e]pyrazolo[4,...) Show SMILES Fc1ccccc1C1=Nc2cn[nH]c2Nc2ccc(cc12)C#N |t:8| Show InChI InChI=1S/C17H10FN5/c18-13-4-2-1-3-11(13)16-12-7-10(8-19)5-6-14(12)22-17-15(21-16)9-20-23-17/h1-7,9H,(H2,20,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	39	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. Curated by ChEMBL					Assay Description Inhibition of KDR				Bioorg Med Chem Lett 20: 5984-7 (2010) Article DOI: 10.1016/j.bmcl.2010.08.079 BindingDB Entry DOI: 10.7270/Q21C1X42
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1/G1/S-specific cyclin-E2 (Homo sapiens (Human))	BDBM50328274 (7-fluoro-5-(2-fluorophenyl)-3-methyl-2,10-dihydrob...) Show SMILES Cc1n[nH]c2Nc3ccc(F)cc3C(=Nc12)c1ccccc1F |c:14| Show InChI InChI=1S/C17H12F2N4/c1-9-15-17(23-22-9)20-14-7-6-10(18)8-12(14)16(21-15)11-4-2-3-5-13(11)19/h2-8H,1H3,(H2,20,22,23)	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. Curated by ChEMBL					Assay Description Inhibition of CDK2-cyclin E				Bioorg Med Chem Lett 20: 5984-7 (2010) Article DOI: 10.1016/j.bmcl.2010.08.079 BindingDB Entry DOI: 10.7270/Q21C1X42
					More data for this Ligand-Target Pair
Tyrosine-protein kinase SYK [360-635] (Homo sapiens (Human))	BDBM227515 (US9334278, I-4) Show SMILES CC(C)NC(=O)c1c[nH]c2ncc(Nc3ccc(C)cn3)nc12 Show InChI InChI=1S/C16H18N6O/c1-9(2)20-16(23)11-7-18-15-14(11)22-13(8-19-15)21-12-5-4-10(3)6-17-12/h4-9H,1-3H3,(H,18,19)(H,20,23)(H,17,21,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	42.8	n/a	n/a	n/a	n/a	n/a	30
Hoffmann-La Roche Inc. US Patent					Assay Description Assay plates: 96-well MultiScreen 0.65 μm filter plates (Millipore Cat. No.: MADVNOB 10) Streptavidin coated beads: Streptavidin Sepharose™,...				US Patent US9334278 (2016) BindingDB Entry DOI: 10.7270/Q2JD4VN3
					More data for this Ligand-Target Pair
Tyrosine-protein kinase SYK [360-635] (Homo sapiens (Human))	BDBM227543 (US9334278, I-32) Show SMILES Cn1cc2N(CCCc2n1)c1cnc2[nH]cc(C(=O)NC(C)(C)C)c2n1 Show InChI InChI=1S/C18H23N7O/c1-18(2,3)22-17(26)11-8-19-16-15(11)21-14(9-20-16)25-7-5-6-12-13(25)10-24(4)23-12/h8-10H,5-7H2,1-4H3,(H,19,20)(H,22,26)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	43.7	n/a	n/a	n/a	n/a	n/a	30
Hoffmann-La Roche Inc. US Patent					Assay Description Assay plates: 96-well MultiScreen 0.65 μm filter plates (Millipore Cat. No.: MADVNOB 10) Streptavidin coated beads: Streptavidin Sepharose™,...				US Patent US9334278 (2016) BindingDB Entry DOI: 10.7270/Q2JD4VN3
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1/G1/S-specific cyclin-E2 (Homo sapiens (Human))	BDBM50328281 (CHEMBL1258141 | N'-[5-(2-chlorophenyl)-2,10-dihydr...) Show SMILES CN(C)S(=O)(=O)Nc1ccc2Nc3[nH]ncc3N=C(c3ccccc3Cl)c2c1 |t:18| Show InChI InChI=1S/C18H17ClN6O2S/c1-25(2)28(26,27)24-11-7-8-15-13(9-11)17(12-5-3-4-6-14(12)19)21-16-10-20-23-18(16)22-15/h3-10,24H,1-2H3,(H2,20,22,23)	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	46	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. Curated by ChEMBL					Assay Description Inhibition of CDK2-cyclin E				Bioorg Med Chem Lett 20: 5984-7 (2010) Article DOI: 10.1016/j.bmcl.2010.08.079 BindingDB Entry DOI: 10.7270/Q21C1X42
					More data for this Ligand-Target Pair
Tyrosine-protein kinase SYK [360-635] (Homo sapiens (Human))	BDBM227528 (US9334278, I-17) Show SMILES Cn1cc(Nc2cnc3[nH]cc(C(=O)NC(C)(C)CO)c3n2)cn1 Show InChI InChI=1S/C15H19N7O2/c1-15(2,8-23)21-14(24)10-5-16-13-12(10)20-11(6-17-13)19-9-4-18-22(3)7-9/h4-7,23H,8H2,1-3H3,(H,16,17)(H,19,20)(H,21,24)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	49.9	n/a	n/a	n/a	n/a	n/a	30
Hoffmann-La Roche Inc. US Patent					Assay Description Assay plates: 96-well MultiScreen 0.65 μm filter plates (Millipore Cat. No.: MADVNOB 10) Streptavidin coated beads: Streptavidin Sepharose™,...				US Patent US9334278 (2016) BindingDB Entry DOI: 10.7270/Q2JD4VN3
					More data for this Ligand-Target Pair
Fibroblast growth factor receptor 1 (Homo sapiens (Human))	BDBM50426473 (CHEMBL2322701) Show SMILES Cc1n[nH]c2Nc3ccc(N)cc3C(=Nc12)c1ccccc1Cl |c:14| Show InChI InChI=1S/C17H14ClN5/c1-9-15-17(23-22-9)20-14-7-6-10(19)8-12(14)16(21-15)11-4-2-3-5-13(11)18/h2-8H,19H2,1H3,(H2,20,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. Curated by ChEMBL					Assay Description Inhibition of FGFR1 (unknown origin)				ACS Med Chem Lett 4: 259-63 (2013) Article DOI: 10.1021/ml300351e BindingDB Entry DOI: 10.7270/Q2902541
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1/G1/S-specific cyclin-E2 (Homo sapiens (Human))	BDBM50328269 (5-(2-chlorophenyl)-7-nitro-3-(pyridin-4-yl)-2,10-d...) Show SMILES [O-][N+](=O)c1ccc2Nc3[nH]nc(c3N=C(c3ccccc3Cl)c2c1)-c1ccncc1 |t:14| Show InChI InChI=1S/C21H13ClN6O2/c22-16-4-2-1-3-14(16)19-15-11-13(28(29)30)5-6-17(15)24-21-20(25-19)18(26-27-21)12-7-9-23-10-8-12/h1-11H,(H2,24,26,27)	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. Curated by ChEMBL					Assay Description Inhibition of CDK2-cyclin E				Bioorg Med Chem Lett 20: 5984-7 (2010) Article DOI: 10.1016/j.bmcl.2010.08.079 BindingDB Entry DOI: 10.7270/Q21C1X42
					More data for this Ligand-Target Pair
Tyrosine-protein kinase SYK [360-635] (Homo sapiens (Human))	BDBM227519 (US9334278, I-8) Show SMILES Cc1cnc(Nc2cnc3[nH]cc(C(=O)NC(C)(C)C)c3n2)cn1 Show InChI InChI=1S/C16H19N7O/c1-9-5-18-11(7-17-9)21-12-8-20-14-13(22-12)10(6-19-14)15(24)23-16(2,3)4/h5-8H,1-4H3,(H,19,20)(H,23,24)(H,18,21,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	51.3	n/a	n/a	n/a	n/a	n/a	30
Hoffmann-La Roche Inc. US Patent					Assay Description Assay plates: 96-well MultiScreen 0.65 μm filter plates (Millipore Cat. No.: MADVNOB 10) Streptavidin coated beads: Streptavidin Sepharose™,...				US Patent US9334278 (2016) BindingDB Entry DOI: 10.7270/Q2JD4VN3
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Homo sapiens (Human))	BDBM291163 (US9580411, Example 79-(R) | US9580411, Example 79-...) Show SMILES CC(C)N(CC(=O)NCc1cccc(c1)-c1cnc(nc1)N1CCC[C@@H]1C)S(=O)(=O)c1ccc(F)cc1 |r| Show InChI InChI=1S/C27H32FN5O3S/c1-19(2)33(37(35,36)25-11-9-24(28)10-12-25)18-26(34)29-15-21-7-4-8-22(14-21)23-16-30-27(31-17-23)32-13-5-6-20(32)3/h4,7-12,14,16-17,19-20H,5-6,13,15,18H2,1-3H3,(H,29,34)/t20-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	25
Hoffmann-La Roche Inc. US Patent					Assay Description IC50s (effective concentration) of compounds on the human TRPA1 channel were determined using a Hamamatsu FDSS fluorescence plate reader. CHO cells e...				US Patent US9580411 (2017) BindingDB Entry DOI: 10.7270/Q25T3NJM
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Homo sapiens (Human))	BDBM291168 (2,2-Dideuterio-2-(4-fluoro-N-isopropylphenylsulfon...) Show SMILES CC(C)N(CC(=O)NCc1cc(ncn1)-c1ccc(nc1)C(F)(F)F)S(=O)(=O)c1ccc(F)cc1 Show InChI InChI=1S/C22H21F4N5O3S/c1-14(2)31(35(33,34)18-6-4-16(23)5-7-18)12-21(32)28-11-17-9-19(30-13-29-17)15-3-8-20(27-10-15)22(24,25)26/h3-10,13-14H,11-12H2,1-2H3,(H,28,32)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	58	n/a	n/a	n/a	n/a	n/a	25
Hoffmann-La Roche Inc. US Patent					Assay Description IC50s (effective concentration) of compounds on the human TRPA1 channel were determined using a Hamamatsu FDSS fluorescence plate reader. CHO cells e...				US Patent US9580411 (2017) BindingDB Entry DOI: 10.7270/Q25T3NJM
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM50426474 (CHEMBL1980391) Show SMILES COc1cc2Nc3[nH]nc(C)c3N=C(c3ccccc3Cl)c2cc1F |t:13| Show InChI InChI=1S/C18H14ClFN4O/c1-9-16-18(24-23-9)21-14-8-15(25-2)13(20)7-11(14)17(22-16)10-5-3-4-6-12(10)19/h3-8H,1-2H3,(H2,21,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	58	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. Curated by ChEMBL					Assay Description Inhibition of aurora-A (unknown origin)				ACS Med Chem Lett 4: 259-63 (2013) Article DOI: 10.1021/ml300351e BindingDB Entry DOI: 10.7270/Q2902541
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1/G1/S-specific cyclin-E2 (Homo sapiens (Human))	BDBM50328272 (5-(2-fluorophenyl)-3-methyl-2,10-dihydrobenzo[e]py...) Show SMILES Cc1n[nH]c2Nc3ccccc3C(=Nc12)c1ccccc1F |c:13| Show InChI InChI=1S/C17H13FN4/c1-10-15-17(22-21-10)19-14-9-5-3-7-12(14)16(20-15)11-6-2-4-8-13(11)18/h2-9H,1H3,(H2,19,21,22)	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	64	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. Curated by ChEMBL					Assay Description Inhibition of CDK2-cyclin E				Bioorg Med Chem Lett 20: 5984-7 (2010) Article DOI: 10.1016/j.bmcl.2010.08.079 BindingDB Entry DOI: 10.7270/Q21C1X42
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1/G1/S-specific cyclin-E2 (Homo sapiens (Human))	BDBM50328260 (5-(2-chlorophenyl)-7-nitro-2,10-dihydrobenzo[e]pyr...) Show SMILES [O-][N+](=O)c1ccc2Nc3[nH]ncc3N=C(c3ccccc3Cl)c2c1 |t:14| Show InChI InChI=1S/C16H10ClN5O2/c17-12-4-2-1-3-10(12)15-11-7-9(22(23)24)5-6-13(11)20-16-14(19-15)8-18-21-16/h1-8H,(H2,18,20,21)	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. Curated by ChEMBL					Assay Description Inhibition of CDK2-cyclin E				Bioorg Med Chem Lett 20: 5984-7 (2010) Article DOI: 10.1016/j.bmcl.2010.08.079 BindingDB Entry DOI: 10.7270/Q21C1X42
					More data for this Ligand-Target Pair

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