Compile Data Set for Download or QSAR

Found 129 hits Enz. Inhib. hit(s) with Target = 'Cyclin-dependent kinase 17' AND taxid = 9606   

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
Cyclin-dependent kinase 17 (Homo sapiens (Human))	BDBM50593922 (CHEMBL5199065) Show SMILES CCC(CC)c1cc(N[C@H]2CC[C@H](N)C2)n2nccc2n1 |r| Show InChI	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem		n/a	n/a	>1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of specifically bound [3H]naloxone from rat brain homogenate, in the absence of NaCl				Citation and Details
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 17 (Homo sapiens (Human))	BDBM50404389 (CHEMBL5285499) Show SMILES COCCN(CC(O)=O)C(=O)C(CCCNC(N)=N)NS(=O)(=O)c1ccc2cc3OCCOc3cc2c1 Show InChI InChI=1S/C23H31N5O8S/c1-34-8-7-28(14-21(29)30)22(31)18(3-2-6-26-23(24)25)27-37(32,33)17-5-4-15-12-19-20(13-16(15)11-17)36-10-9-35-19/h4-5,11-13,18,27H,2-3,6-10,14H2,1H3,(H,29,30)(H4,24,25,26)	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	>1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of specifically bound [3H]naloxone from rat brain homogenate, in the absence of NaCl				Citation and Details
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 17 (Homo sapiens (Human))	BDBM126500 (US11591322, Compound NVP-2 | US8778951, 310) Show SMILES COC[C@@H](C)N[C@H]1CC[C@@H](CC1)Nc1cc(c(Cl)cn1)-c1cccc(NCC2(CCOCC2)C#N)n1 |r,wU:9.12,wD:6.5,3.3,(7.56,1.68,;6.23,2.45,;4.9,1.68,;3.56,2.45,;3.56,3.99,;2.23,1.68,;.89,2.45,;.89,3.99,;-.44,4.76,;-1.77,3.99,;-1.77,2.45,;-.44,1.68,;-3.11,4.76,;-4.44,3.99,;-4.44,2.45,;-5.77,1.68,;-7.11,2.45,;-8.44,1.68,;-7.11,3.99,;-5.77,4.76,;-5.77,.14,;-7.11,-.63,;-7.11,-2.17,;-5.77,-2.94,;-4.44,-2.17,;-3.11,-2.94,;-1.77,-2.17,;-.44,-2.94,;-.44,-4.48,;.89,-5.25,;2.23,-4.48,;2.23,-2.94,;.89,-2.17,;-.44,-1.4,;-.44,.14,;-4.44,-.63,)| Show InChI InChI=1S/C27H37ClN6O2/c1-19(16-35-2)32-20-6-8-21(9-7-20)33-26-14-22(23(28)15-30-26)24-4-3-5-25(34-24)31-18-27(17-29)10-12-36-13-11-27/h3-5,14-15,19-21,32H,6-13,16,18H2,1-2H3,(H,30,33)(H,31,34)/t19-,20-,21-/m1/s1	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars		n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Effective concentration required for inhibitory activity towards human beta-1 adrenergic receptor				Citation and Details
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 17 (Homo sapiens (Human))	BDBM31085 (1-[4-[(4-ethyl-1-piperazinyl)methyl]-3-(trifluorom...) Show SMILES CCN1CCN(Cc2ccc(NC(=O)Nc3ccc(Oc4cc(NC)ncn4)cc3)cc2C(F)(F)F)CC1 Show InChI InChI=1S/C26H30F3N7O2/c1-3-35-10-12-36(13-11-35)16-18-4-5-20(14-22(18)26(27,28)29)34-25(37)33-19-6-8-21(9-7-19)38-24-15-23(30-2)31-17-32-24/h4-9,14-15,17H,3,10-13,16H2,1-2H3,(H,30,31,32)(H2,33,34,37)	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a
Ambit Biosciences Curated by PubChem BioAssay					Assay Description Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2XD101Z
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 17 (Homo sapiens (Human))	BDBM5931 (BMS-387072 | CHEMBL296468 | N-(5-{[(5-tert-butyl-1...) Show SMILES CC(C)(C)c1cnc(CSc2cnc(NC(=O)C3CCNCC3)s2)o1 Show InChI InChI=1S/C17H24N4O2S2/c1-17(2,3)12-8-19-13(23-12)10-24-14-9-20-16(25-14)21-15(22)11-4-6-18-7-5-11/h8-9,11,18H,4-7,10H2,1-3H3,(H,20,21,22)	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PCBioAssay	n/a	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a
Ambit Biosciences Curated by PubChem BioAssay					Assay Description Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2XD101Z
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 17 (Homo sapiens (Human))	BDBM25118 ((3Z)-4-amino-5-fluoro-3-[5-(4-methylpiperazino)-1,...) Show SMILES CN1CCN(CC1)c1ccc2nc([nH]c2c1)-c1c(N)c2c(F)cccc2[nH]c1=O Show InChI InChI=1S/C21H21FN6O/c1-27-7-9-28(10-8-27)12-5-6-14-16(11-12)25-20(24-14)18-19(23)17-13(22)3-2-4-15(17)26-21(18)29/h2-6,11H,7-10H2,1H3,(H,24,25)(H3,23,26,29)	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PCBioAssay	n/a	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a	n/a
Ambit Biosciences Curated by PubChem BioAssay					Assay Description Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2XD101Z
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 17 (Homo sapiens (Human))	BDBM31099 (2-(2-chlorophenyl)-5,7-dihydroxy-8-[(3S)-3-hydroxy...) Show SMILES CN1CCC([C@H](O)C1)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1Cl Show InChI InChI=1S/C21H20ClNO5/c1-23-7-6-12(17(27)10-23)19-14(24)8-15(25)20-16(26)9-18(28-21(19)20)11-4-2-3-5-13(11)22/h2-5,8-9,12,17,24-25,27H,6-7,10H2,1H3/t12?,17-/m1/s1	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	PCBioAssay	n/a	n/a	n/a	480	n/a	n/a	n/a	n/a	n/a
Ambit Biosciences Curated by PubChem BioAssay					Assay Description Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2XD101Z
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 17 (Homo sapiens (Human))	BDBM6866 (1-Acyl-1H-[1,2,4]triazole-3,5-diamine Analogue 3b ...) Show SMILES Nc1nc(Nc2ccc(cc2)S(N)(=O)=O)nn1C(=O)c1c(F)cccc1F Show InChI InChI=1S/C15H12F2N6O3S/c16-10-2-1-3-11(17)12(10)13(24)23-14(18)21-15(22-23)20-8-4-6-9(7-5-8)27(19,25)26/h1-7H,(H2,19,25,26)(H3,18,20,21,22)	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PCBioAssay	n/a	n/a	n/a	290	n/a	n/a	n/a	n/a	n/a
Ambit Biosciences Curated by PubChem BioAssay					Assay Description Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2XD101Z
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 17 (Homo sapiens (Human))	BDBM16673 (4-[4-({[4-chloro-3-(trifluoromethyl)phenyl]carbamo...) Show SMILES CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2)ccn1 Show InChI InChI=1S/C21H16ClF3N4O3/c1-26-19(30)18-11-15(8-9-27-18)32-14-5-2-12(3-6-14)28-20(31)29-13-4-7-17(22)16(10-13)21(23,24)25/h2-11H,1H3,(H,26,30)(H2,28,29,31)	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PCBioAssay	n/a	n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a	n/a
Ambit Biosciences Curated by PubChem BioAssay					Assay Description Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2XD101Z
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 17 (Homo sapiens (Human))	BDBM31096 (CHEMBL290084 | Staurosporine | cid_451705) Show SMILES CN[C@H]1C[C@@H]2O[C@](C)([C@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m0/s1	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PCBioAssay	n/a	n/a	n/a	96	n/a	n/a	n/a	n/a	n/a
Ambit Biosciences Curated by PubChem BioAssay					Assay Description Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2XD101Z
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 17 (Homo sapiens (Human))	BDBM4814 (CHEMBL535 | N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fl...) Show SMILES CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c1C Show InChI InChI=1S/C22H27FN4O2/c1-5-27(6-2)10-9-24-22(29)20-13(3)19(25-14(20)4)12-17-16-11-15(23)7-8-18(16)26-21(17)28/h7-8,11-12,25H,5-6,9-10H2,1-4H3,(H,24,29)(H,26,28)/b17-12-	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PCBioAssay	n/a	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a
Ambit Biosciences Curated by PubChem BioAssay					Assay Description Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2XD101Z
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 17 (Homo sapiens (Human))	BDBM50326053 (CHEMBL608533 | PKC-412) Show SMILES CO[C@@H]1[C@@H](C[C@H]2O[C@]1(C)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13)N(C)C(=O)c1ccccc1 |r| Show InChI InChI=1S/C35H30N4O4/c1-35-32(42-3)25(37(2)34(41)19-11-5-4-6-12-19)17-26(43-35)38-23-15-9-7-13-20(23)28-29-22(18-36-33(29)40)27-21-14-8-10-16-24(21)39(35)31(27)30(28)38/h4-16,25-26,32H,17-18H2,1-3H3,(H,36,40)/t25-,26-,32-,35+/m1/s1	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a
Ambit Biosciences Curated by ChEMBL					Assay Description Binding affinity to PCTK2				Blood 114: 2984-92 (2009) Article DOI: 10.1182/blood-2009-05-222034 BindingDB Entry DOI: 10.7270/Q2PN95V2
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 17 (Homo sapiens (Human))	BDBM50308060 (16-hydroxy-16-(hydroxymethyl)-15-methyl-28-oxa-4,1...) Show SMILES C[C@]12O[C@H](C[C@]1(O)CO)n1c3ccccc3c3c4C(=O)NCc4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C26H21N3O4/c1-25-26(32,12-30)10-18(33-25)28-16-8-4-2-6-13(16)20-21-15(11-27-24(21)31)19-14-7-3-5-9-17(14)29(25)23(19)22(20)28/h2-9,18,30,32H,10-12H2,1H3,(H,27,31)/t18-,25+,26+/m1/s1	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	720	n/a	n/a	n/a	n/a	n/a
Ambit Biosciences Curated by ChEMBL					Assay Description Binding affinity to PCTK2				Blood 114: 2984-92 (2009) Article DOI: 10.1182/blood-2009-05-222034 BindingDB Entry DOI: 10.7270/Q2PN95V2
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 17 (Homo sapiens (Human))	BDBM50026612 (BIBF-1120 | Nintedanib | US10981896, Compound Nint...) Show SMILES COC(=O)c1ccc2\C(=C(\Nc3ccc(cc3)N(C)C(=O)CN3CCN(C)CC3)c3ccccc3)C(=O)Nc2c1 Show InChI InChI=1S/C31H33N5O4/c1-34-15-17-36(18-16-34)20-27(37)35(2)24-12-10-23(11-13-24)32-29(21-7-5-4-6-8-21)28-25-14-9-22(31(39)40-3)19-26(25)33-30(28)38/h4-14,19,32H,15-18,20H2,1-3H3,(H,33,38)/b29-28-	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	n/a	93	n/a	n/a	n/a	n/a	n/a
Ambit Biosciences Curated by ChEMBL					Assay Description Binding constant for PCTK2 kinase domain				Nat Biotechnol 29: 1046-51 (2011) Article DOI: 10.1038/nbt.1990 BindingDB Entry DOI: 10.7270/Q25D8S70
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 17 (Homo sapiens (Human))	BDBM2579 ((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...) Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	96	n/a	n/a	n/a	n/a	n/a
Ambit Biosciences Curated by ChEMBL					Assay Description Binding constant for PCTK2 kinase domain				Nat Biotechnol 29: 1046-51 (2011) Article DOI: 10.1038/nbt.1990 BindingDB Entry DOI: 10.7270/Q25D8S70
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 17 (Homo sapiens (Human))	BDBM50326053 (CHEMBL608533 | PKC-412) Show SMILES CO[C@@H]1[C@@H](C[C@H]2O[C@]1(C)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13)N(C)C(=O)c1ccccc1 |r| Show InChI InChI=1S/C35H30N4O4/c1-35-32(42-3)25(37(2)34(41)19-11-5-4-6-12-19)17-26(43-35)38-23-15-9-7-13-20(23)28-29-22(18-36-33(29)40)27-21-14-8-10-16-24(21)39(35)31(27)30(28)38/h4-16,25-26,32H,17-18H2,1-3H3,(H,36,40)/t25-,26-,32-,35+/m1/s1	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a
Ambit Biosciences Curated by ChEMBL					Assay Description Binding constant for PCTK2 kinase domain				Nat Biotechnol 29: 1046-51 (2011) Article DOI: 10.1038/nbt.1990 BindingDB Entry DOI: 10.7270/Q25D8S70
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 17 (Homo sapiens (Human))	BDBM50308060 (16-hydroxy-16-(hydroxymethyl)-15-methyl-28-oxa-4,1...) Show SMILES C[C@]12O[C@H](C[C@]1(O)CO)n1c3ccccc3c3c4C(=O)NCc4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C26H21N3O4/c1-25-26(32,12-30)10-18(33-25)28-16-8-4-2-6-13(16)20-21-15(11-27-24(21)31)19-14-7-3-5-9-17(14)29(25)23(19)22(20)28/h2-9,18,30,32H,10-12H2,1H3,(H,27,31)/t18-,25+,26+/m1/s1	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	720	n/a	n/a	n/a	n/a	n/a
Ambit Biosciences Curated by ChEMBL					Assay Description Binding constant for PCTK2 kinase domain				Nat Biotechnol 29: 1046-51 (2011) Article DOI: 10.1038/nbt.1990 BindingDB Entry DOI: 10.7270/Q25D8S70
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 17 (Homo sapiens (Human))	BDBM50326053 (CHEMBL608533 | PKC-412) Show SMILES CO[C@@H]1[C@@H](C[C@H]2O[C@]1(C)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13)N(C)C(=O)c1ccccc1 |r| Show InChI InChI=1S/C35H30N4O4/c1-35-32(42-3)25(37(2)34(41)19-11-5-4-6-12-19)17-26(43-35)38-23-15-9-7-13-20(23)28-29-22(18-36-33(29)40)27-21-14-8-10-16-24(21)39(35)31(27)30(28)38/h4-16,25-26,32H,17-18H2,1-3H3,(H,36,40)/t25-,26-,32-,35+/m1/s1	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a
Ambit Biosciences Curated by ChEMBL					Assay Description Binding constant for full-length PCTK2				Nat Biotechnol 26: 127-32 (2008) Article DOI: 10.1038/nbt1358 BindingDB Entry DOI: 10.7270/Q2TT4RX2
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 17 (Homo sapiens (Human))	BDBM2579 ((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...) Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	96	n/a	n/a	n/a	n/a	n/a
Ambit Biosciences Curated by ChEMBL					Assay Description Binding constant for full-length PCTK2				Nat Biotechnol 26: 127-32 (2008) Article DOI: 10.1038/nbt1358 BindingDB Entry DOI: 10.7270/Q2TT4RX2
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 17 (Homo sapiens (Human))	BDBM50300690 (1-(5-Tert-Butyl-1,2-Oxazol-3-Yl)-3-(4-{7-[2-(Morph...) Show SMILES CC(C)(C)c1cc(NC(=O)Nc2ccc(cc2)-c2cn3c(n2)sc2cc(OCCN4CCOCC4)ccc32)no1 Show InChI InChI=1S/C29H32N6O4S/c1-29(2,3)25-17-26(33-39-25)32-27(36)30-20-6-4-19(5-7-20)22-18-35-23-9-8-21(16-24(23)40-28(35)31-22)38-15-12-34-10-13-37-14-11-34/h4-9,16-18H,10-15H2,1-3H3,(H2,30,32,33,36)	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a
Ambit Biosciences Curated by ChEMBL					Assay Description Binding affinity to PCTK2				Blood 114: 2984-92 (2009) Article DOI: 10.1182/blood-2009-05-222034 BindingDB Entry DOI: 10.7270/Q2PN95V2
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 17 (Homo sapiens (Human))	BDBM50326054 (CHEMBL1240703) Show SMILES CO[C@@H]1[C@@H](C[C@H]2O[C@]1(C)n1c3ccccc3c3c4[C@H](O)NC(=O)c4c4c5ccccc5n2c4c13)N(C)C(=O)c1ccccc1 |r| Show InChI InChI=1S/C35H30N4O5/c1-35-31(43-3)23(37(2)34(42)18-11-5-4-6-12-18)17-24(44-35)38-21-15-9-7-13-19(21)25-27-28(33(41)36-32(27)40)26-20-14-8-10-16-22(20)39(35)30(26)29(25)38/h4-16,23-24,31,33,41H,17H2,1-3H3,(H,36,40)/t23-,24-,31-,33+,35+/m1/s1	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a
Ambit Biosciences Curated by ChEMBL					Assay Description Binding affinity to PCTK2				Blood 114: 2984-92 (2009) Article DOI: 10.1182/blood-2009-05-222034 BindingDB Entry DOI: 10.7270/Q2PN95V2
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 17 (Homo sapiens (Human))	BDBM13535 (4-[6-methoxy-7-(3-piperidin-1-ylpropoxy)quinazolin...) Show SMILES COc1cc2c(ncnc2cc1OCCCN1CCCCC1)N1CCN(CC1)C(=O)Nc1ccc(OC(C)C)cc1 Show InChI InChI=1S/C31H42N6O4/c1-23(2)41-25-10-8-24(9-11-25)34-31(38)37-17-15-36(16-18-37)30-26-20-28(39-3)29(21-27(26)32-22-33-30)40-19-7-14-35-12-5-4-6-13-35/h8-11,20-23H,4-7,12-19H2,1-3H3,(H,34,38)	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a
Ambit Biosciences Curated by ChEMBL					Assay Description Binding affinity to PCTK2				Blood 114: 2984-92 (2009) Article DOI: 10.1182/blood-2009-05-222034 BindingDB Entry DOI: 10.7270/Q2PN95V2
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 17 (Homo sapiens (Human))	BDBM4814 (CHEMBL535 | N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fl...) Show SMILES CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c1C Show InChI InChI=1S/C22H27FN4O2/c1-5-27(6-2)10-9-24-22(29)20-13(3)19(25-14(20)4)12-17-16-11-15(23)7-8-18(16)26-21(17)28/h7-8,11-12,25H,5-6,9-10H2,1-4H3,(H,24,29)(H,26,28)/b17-12-	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a
Ambit Biosciences Curated by ChEMBL					Assay Description Binding affinity to PCTK2				Blood 114: 2984-92 (2009) Article DOI: 10.1182/blood-2009-05-222034 BindingDB Entry DOI: 10.7270/Q2PN95V2
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 17 (Homo sapiens (Human))	BDBM16673 (4-[4-({[4-chloro-3-(trifluoromethyl)phenyl]carbamo...) Show SMILES CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2)ccn1 Show InChI InChI=1S/C21H16ClF3N4O3/c1-26-19(30)18-11-15(8-9-27-18)32-14-5-2-12(3-6-14)28-20(31)29-13-4-7-17(22)16(10-13)21(23,24)25/h2-11H,1H3,(H,26,30)(H2,28,29,31)	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a	n/a
Ambit Biosciences Curated by ChEMBL					Assay Description Binding affinity to PCTK2				Blood 114: 2984-92 (2009) Article DOI: 10.1182/blood-2009-05-222034 BindingDB Entry DOI: 10.7270/Q2PN95V2
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 17 (Homo sapiens (Human))	BDBM24654 (4-N-(2,6-dichlorobenzene)-3-N-(piperidin-4-yl)-1H-...) Show SMILES Clc1cccc(Cl)c1C(=O)Nc1cn[nH]c1C(=O)NC1CCNCC1 Show InChI InChI=1S/C16H17Cl2N5O2/c17-10-2-1-3-11(18)13(10)15(24)22-12-8-20-23-14(12)16(25)21-9-4-6-19-7-5-9/h1-3,8-9,19H,4-7H2,(H,20,23)(H,21,25)(H,22,24)	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	0.950	n/a	n/a	n/a	n/a	n/a
Ambit Biosciences Curated by ChEMBL					Assay Description Binding constant for PCTK2 kinase domain				Nat Biotechnol 29: 1046-51 (2011) Article DOI: 10.1038/nbt.1990 BindingDB Entry DOI: 10.7270/Q25D8S70
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 17 (Homo sapiens (Human))	BDBM13534 (CHEMBL572878 | N-[4-({4-[(3-methyl-1H-pyrazol-5-yl...) Show SMILES CN1CCN(CC1)c1cc(Nc2cc(C)n[nH]2)nc(Sc2ccc(NC(=O)C3CC3)cc2)n1 Show InChI InChI=1S/C23H28N8OS/c1-15-13-20(29-28-15)25-19-14-21(31-11-9-30(2)10-12-31)27-23(26-19)33-18-7-5-17(6-8-18)24-22(32)16-3-4-16/h5-8,13-14,16H,3-4,9-12H2,1-2H3,(H,24,32)(H2,25,26,27,28,29)	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	5.60E+3	n/a	n/a	n/a	n/a	n/a
Ambit Biosciences Curated by ChEMBL					Assay Description Binding constant for PCTK2 kinase domain				Nat Biotechnol 29: 1046-51 (2011) Article DOI: 10.1038/nbt.1990 BindingDB Entry DOI: 10.7270/Q25D8S70
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 17 (Homo sapiens (Human))	BDBM482158 (BDBM50242742 | TAE684) Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)N1CCC(CC1)N1CCN(C)CC1 Show InChI InChI=1S/C30H40ClN7O3S/c1-21(2)42(39,40)28-8-6-5-7-26(28)33-29-24(31)20-32-30(35-29)34-25-10-9-23(19-27(25)41-4)37-13-11-22(12-14-37)38-17-15-36(3)16-18-38/h5-10,19-22H,11-18H2,1-4H3,(H2,32,33,34,35)	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	810	n/a	n/a	n/a	n/a	n/a
Ambit Biosciences Curated by ChEMBL					Assay Description Binding constant for PCTK2 kinase domain				Nat Biotechnol 29: 1046-51 (2011) Article DOI: 10.1038/nbt.1990 BindingDB Entry DOI: 10.7270/Q25D8S70
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 17 (Homo sapiens (Human))	BDBM50355497 (AZD-6244 | CHEMBL1614701) Show SMILES Cn1cnc2c(F)c(Nc3ccc(Br)cc3Cl)c(cc12)C(=O)NOCCO Show InChI InChI=1S/C17H15BrClFN4O3/c1-24-8-21-16-13(24)7-10(17(26)23-27-5-4-25)15(14(16)20)22-12-3-2-9(18)6-11(12)19/h2-3,6-8,22,25H,4-5H2,1H3,(H,23,26)	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a
Ambit Biosciences Curated by ChEMBL					Assay Description Binding constant for PCTK2 kinase domain				Nat Biotechnol 29: 1046-51 (2011) Article DOI: 10.1038/nbt.1990 BindingDB Entry DOI: 10.7270/Q25D8S70
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 17 (Homo sapiens (Human))	BDBM21079 (1-[4-(3-amino-1H-indazol-4-yl)phenyl]-3-(2-fluoro-...) Show SMILES Cc1ccc(F)c(NC(=O)Nc2ccc(cc2)-c2cccc3[nH]nc(N)c23)c1 Show InChI InChI=1S/C21H18FN5O/c1-12-5-10-16(22)18(11-12)25-21(28)24-14-8-6-13(7-9-14)15-3-2-4-17-19(15)20(23)27-26-17/h2-11H,1H3,(H3,23,26,27)(H2,24,25,28)	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a
Ambit Biosciences Curated by ChEMBL					Assay Description Binding constant for PCTK2 kinase domain				Nat Biotechnol 29: 1046-51 (2011) Article DOI: 10.1038/nbt.1990 BindingDB Entry DOI: 10.7270/Q25D8S70
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 17 (Homo sapiens (Human))	BDBM50184807 ((R)-1-(4-(4-fluoro-2-methyl-1H-indol-5-yloxy)-5-me...) Show SMILES C[C@@H](O)COc1cn2ncnc(Oc3ccc4[nH]c(C)cc4c3F)c2c1C Show InChI InChI=1S/C19H19FN4O3/c1-10-6-13-14(23-10)4-5-15(17(13)20)27-19-18-12(3)16(26-8-11(2)25)7-24(18)22-9-21-19/h4-7,9,11,23,25H,8H2,1-3H3/t11-/m1/s1	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a
Ambit Biosciences Curated by ChEMBL					Assay Description Binding constant for PCTK2 kinase domain				Nat Biotechnol 29: 1046-51 (2011) Article DOI: 10.1038/nbt.1990 BindingDB Entry DOI: 10.7270/Q25D8S70
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 17 (Homo sapiens (Human))	BDBM50355499 (CHEMBL1908395 | CHEMBL1908842) Show SMILES CN(C)CC(=O)N1CCC(CC1)c1ccc(NC(=O)c2ncc([nH]2)C#N)c(c1)C1=CCCCC1 |t:31| Show InChI InChI=1S/C26H32N6O2/c1-31(2)17-24(33)32-12-10-18(11-13-32)20-8-9-23(22(14-20)19-6-4-3-5-7-19)30-26(34)25-28-16-21(15-27)29-25/h6,8-9,14,16,18H,3-5,7,10-13,17H2,1-2H3,(H,28,29)(H,30,34)	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a
Ambit Biosciences Curated by ChEMBL					Assay Description Binding constant for PCTK2 kinase domain				Nat Biotechnol 29: 1046-51 (2011) Article DOI: 10.1038/nbt.1990 BindingDB Entry DOI: 10.7270/Q25D8S70
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 17 (Homo sapiens (Human))	BDBM25045 (3-(4-morpholin-4-ylpyrido[2,3]furo[2,4-b]pyrimidin...) Show SMILES Oc1cccc(c1)-c1nc(N2CCOCC2)c2oc3ncccc3c2n1 Show InChI InChI=1S/C19H16N4O3/c24-13-4-1-3-12(11-13)17-21-15-14-5-2-6-20-19(14)26-16(15)18(22-17)23-7-9-25-10-8-23/h1-6,11,24H,7-10H2	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a
Ambit Biosciences Curated by ChEMBL					Assay Description Binding constant for PCTK2 kinase domain				Nat Biotechnol 29: 1046-51 (2011) Article DOI: 10.1038/nbt.1990 BindingDB Entry DOI: 10.7270/Q25D8S70
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 17 (Homo sapiens (Human))	BDBM25028 (4-[2-(1H-indazol-4-yl)-6-[(4-methanesulfonylpipera...) Show SMILES CS(=O)(=O)N1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cccc3[nH]ncc23)CC1 Show InChI InChI=1S/C23H27N7O3S2/c1-35(31,32)30-7-5-28(6-8-30)15-16-13-20-21(34-16)23(29-9-11-33-12-10-29)26-22(25-20)17-3-2-4-19-18(17)14-24-27-19/h2-4,13-14H,5-12,15H2,1H3,(H,24,27)	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a
Ambit Biosciences Curated by ChEMBL					Assay Description Binding constant for PCTK2 kinase domain				Nat Biotechnol 29: 1046-51 (2011) Article DOI: 10.1038/nbt.1990 BindingDB Entry DOI: 10.7270/Q25D8S70
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 17 (Homo sapiens (Human))	BDBM50331096 (4-(4-fluoro-2-methyl-1H-indol-5-yloxy)-6-methoxy-7...) Show SMILES COc1cc2c(Oc3ccc4[nH]c(C)cc4c3F)ncnc2cc1OCCCN1CCCC1 Show InChI InChI=1S/C25H27FN4O3/c1-16-12-17-19(29-16)6-7-21(24(17)26)33-25-18-13-22(31-2)23(14-20(18)27-15-28-25)32-11-5-10-30-8-3-4-9-30/h6-7,12-15,29H,3-5,8-11H2,1-2H3	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a
Ambit Biosciences Curated by ChEMBL					Assay Description Binding constant for PCTK2 kinase domain				Nat Biotechnol 29: 1046-51 (2011) Article DOI: 10.1038/nbt.1990 BindingDB Entry DOI: 10.7270/Q25D8S70
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 17 (Homo sapiens (Human))	BDBM50193995 (3-((3R,4R)-4-methyl-3-(methyl(7H-pyrrolo[2,3-d]pyr...) Show SMILES C[C@@H]1CCN(C[C@@H]1N(C)c1ncnc2[nH]ccc12)C(=O)CC#N |r| Show InChI InChI=1S/C16H20N6O/c1-11-5-8-22(14(23)3-6-17)9-13(11)21(2)16-12-4-7-18-15(12)19-10-20-16/h4,7,10-11,13H,3,5,8-9H2,1-2H3,(H,18,19,20)/t11-,13+/m1/s1	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a
Ambit Biosciences Curated by ChEMBL					Assay Description Binding constant for PCTK2 kinase domain				Nat Biotechnol 29: 1046-51 (2011) Article DOI: 10.1038/nbt.1990 BindingDB Entry DOI: 10.7270/Q25D8S70
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 17 (Homo sapiens (Human))	BDBM32362 (5-[[3-methoxy-4-[(4-methoxyphenyl)methoxy]phenyl]m...) Show SMILES COc1ccc(COc2ccc(Cc3cnc(N)nc3N)cc2OC)cc1 Show InChI InChI=1S/C20H22N4O3/c1-25-16-6-3-13(4-7-16)12-27-17-8-5-14(10-18(17)26-2)9-15-11-23-20(22)24-19(15)21/h3-8,10-11H,9,12H2,1-2H3,(H4,21,22,23,24)	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a
Ambit Biosciences Curated by ChEMBL					Assay Description Binding constant for PCTK2 kinase domain				Nat Biotechnol 29: 1046-51 (2011) Article DOI: 10.1038/nbt.1990 BindingDB Entry DOI: 10.7270/Q25D8S70
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 17 (Homo sapiens (Human))	BDBM17055 ((18S)-18-[(dimethylamino)methyl]-17-oxa-4,14,21-tr...) Show SMILES CN(C)C[C@@H]1CCn2cc(C3=C(C(=O)NC3=O)c3cn(CCO1)c1ccccc31)c1ccccc21 |r,t:10| Show InChI InChI=1S/C28H28N4O3/c1-30(2)15-18-11-12-31-16-21(19-7-3-5-9-23(19)31)25-26(28(34)29-27(25)33)22-17-32(13-14-35-18)24-10-6-4-8-20(22)24/h3-10,16-18H,11-15H2,1-2H3,(H,29,33,34)/t18-/m0/s1	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a
Ambit Biosciences Curated by ChEMBL					Assay Description Binding constant for PCTK2 kinase domain				Nat Biotechnol 29: 1046-51 (2011) Article DOI: 10.1038/nbt.1990 BindingDB Entry DOI: 10.7270/Q25D8S70
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 17 (Homo sapiens (Human))	BDBM4851 ((4-chlorophenyl)-[4-(4-pyridylmethyl)phthalazin-1-...) Show SMILES Clc1ccc(Nc2nnc(Cc3ccncc3)c3ccccc23)cc1 Show InChI InChI=1S/C20H15ClN4/c21-15-5-7-16(8-6-15)23-20-18-4-2-1-3-17(18)19(24-25-20)13-14-9-11-22-12-10-14/h1-12H,13H2,(H,23,25)	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a
Ambit Biosciences Curated by ChEMBL					Assay Description Binding constant for PCTK2 kinase domain				Nat Biotechnol 29: 1046-51 (2011) Article DOI: 10.1038/nbt.1990 BindingDB Entry DOI: 10.7270/Q25D8S70
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 17 (Homo sapiens (Human))	BDBM50355496 (CHEMBL1908397) Show SMILES O=C(N1CCNCC1)c1ccc(\C=C\c2n[nH]c3ccccc23)cc1 Show InChI InChI=1S/C20H20N4O/c25-20(24-13-11-21-12-14-24)16-8-5-15(6-9-16)7-10-19-17-3-1-2-4-18(17)22-23-19/h1-10,21H,11-14H2,(H,22,23)/b10-7+	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	1.90E+3	n/a	n/a	n/a	n/a	n/a
Ambit Biosciences Curated by ChEMBL					Assay Description Binding constant for PCTK2 kinase domain				Nat Biotechnol 29: 1046-51 (2011) Article DOI: 10.1038/nbt.1990 BindingDB Entry DOI: 10.7270/Q25D8S70
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 17 (Homo sapiens (Human))	BDBM15138 (5-indazolyl pyridine 11g | 5-{5-[(2S)-2-amino-3-ph...) Show SMILES Cc1n[nH]c2ccc(cc12)-c1cncc(OC[C@@H](N)Cc2ccccc2)c1 |r| Show InChI InChI=1S/C22H22N4O/c1-15-21-11-17(7-8-22(21)26-25-15)18-10-20(13-24-12-18)27-14-19(23)9-16-5-3-2-4-6-16/h2-8,10-13,19H,9,14,23H2,1H3,(H,25,26)/t19-/m0/s1	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	1.90E+3	n/a	n/a	n/a	n/a	n/a
Ambit Biosciences Curated by ChEMBL					Assay Description Binding constant for PCTK2 kinase domain				Nat Biotechnol 29: 1046-51 (2011) Article DOI: 10.1038/nbt.1990 BindingDB Entry DOI: 10.7270/Q25D8S70
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 17 (Homo sapiens (Human))	BDBM25084 (3-[2,4-diamino-6-(3-hydroxyphenyl)pteridin-7-yl]ph...) Show SMILES Nc1nc(N)c2nc(-c3cccc(O)c3)c(nc2n1)-c1cccc(O)c1 Show InChI InChI=1S/C18H14N6O2/c19-16-15-17(24-18(20)23-16)22-14(10-4-2-6-12(26)8-10)13(21-15)9-3-1-5-11(25)7-9/h1-8,25-26H,(H4,19,20,22,23,24)	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a
Ambit Biosciences Curated by ChEMBL					Assay Description Binding constant for PCTK2 kinase domain				Nat Biotechnol 29: 1046-51 (2011) Article DOI: 10.1038/nbt.1990 BindingDB Entry DOI: 10.7270/Q25D8S70
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 17 (Homo sapiens (Human))	BDBM31088 (1-methyl-5-[2-[5-(trifluoromethyl)-1H-imidazol-2-y...) Show SMILES Cn1c(Nc2ccc(cc2)C(F)(F)F)nc2cc(Oc3ccnc(c3)-c3ncc([nH]3)C(F)(F)F)ccc12 Show InChI InChI=1S/C24H16F6N6O/c1-36-19-7-6-15(10-17(19)34-22(36)33-14-4-2-13(3-5-14)23(25,26)27)37-16-8-9-31-18(11-16)21-32-12-20(35-21)24(28,29)30/h2-12H,1H3,(H,32,35)(H,33,34)	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a
Ambit Biosciences Curated by ChEMBL					Assay Description Binding constant for PCTK2 kinase domain				Nat Biotechnol 29: 1046-51 (2011) Article DOI: 10.1038/nbt.1990 BindingDB Entry DOI: 10.7270/Q25D8S70
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 17 (Homo sapiens (Human))	BDBM50161957 (4-Dimethylamino-but-2-enoic acid {4-[3-chloro-4-(p...) Show SMILES CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C Show InChI InChI=1S/C30H29ClN6O3/c1-4-39-28-16-25-23(15-26(28)36-29(38)9-7-13-37(2)3)30(20(17-32)18-34-25)35-21-10-11-27(24(31)14-21)40-19-22-8-5-6-12-33-22/h5-12,14-16,18H,4,13,19H2,1-3H3,(H,34,35)(H,36,38)/b9-7+	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a
Ambit Biosciences Curated by ChEMBL					Assay Description Binding constant for PCTK2 kinase domain				Nat Biotechnol 29: 1046-51 (2011) Article DOI: 10.1038/nbt.1990 BindingDB Entry DOI: 10.7270/Q25D8S70
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 17 (Homo sapiens (Human))	BDBM31093 (4-[[7-[2,6-bis(fluoranyl)phenyl]-9-chloranyl-5H-py...) Show SMILES OC(=O)c1ccc(Nc2ncc3CN=C(c4cc(Cl)ccc4-c3n2)c2c(F)cccc2F)cc1 |c:13| Show InChI InChI=1S/C25H15ClF2N4O2/c26-15-6-9-17-18(10-15)23(21-19(27)2-1-3-20(21)28)29-11-14-12-30-25(32-22(14)17)31-16-7-4-13(5-8-16)24(33)34/h1-10,12H,11H2,(H,33,34)(H,30,31,32)	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a
Ambit Biosciences Curated by ChEMBL					Assay Description Binding constant for PCTK2 kinase domain				Nat Biotechnol 29: 1046-51 (2011) Article DOI: 10.1038/nbt.1990 BindingDB Entry DOI: 10.7270/Q25D8S70
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 17 (Homo sapiens (Human))	BDBM21 (CHEMBL24828 | N-(4-bromo-2-fluorophenyl)-6-methoxy...) Show SMILES COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC1CCN(C)CC1 Show InChI InChI=1S/C22H24BrFN4O2/c1-28-7-5-14(6-8-28)12-30-21-11-19-16(10-20(21)29-2)22(26-13-25-19)27-18-4-3-15(23)9-17(18)24/h3-4,9-11,13-14H,5-8,12H2,1-2H3,(H,25,26,27)	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a
Ambit Biosciences Curated by ChEMBL					Assay Description Binding constant for PCTK2 kinase domain				Nat Biotechnol 29: 1046-51 (2011) Article DOI: 10.1038/nbt.1990 BindingDB Entry DOI: 10.7270/Q25D8S70
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 17 (Homo sapiens (Human))	BDBM25919 (BMS-345541 | BMS345541 | CHEMBL471496 | N-(2-amino...) Show SMILES Cc1cnc2c(NCCN)nc3ccc(C)cc3n12 Show InChI InChI=1S/C14H17N5/c1-9-3-4-11-12(7-9)19-10(2)8-17-14(19)13(18-11)16-6-5-15/h3-4,7-8H,5-6,15H2,1-2H3,(H,16,18)	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a
Ambit Biosciences Curated by ChEMBL					Assay Description Binding constant for PCTK2 kinase domain				Nat Biotechnol 29: 1046-51 (2011) Article DOI: 10.1038/nbt.1990 BindingDB Entry DOI: 10.7270/Q25D8S70
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 17 (Homo sapiens (Human))	BDBM50128285 (3-(1-Methyl-1H-indol-3-yl)-4-[1-(1-pyridin-2-ylmet...) Show SMILES Cn1cc(C2=C(C(=O)NC2=O)c2cn(C3CCN(Cc4ccccn4)CC3)c3ccccc23)c2ccccc12 |t:4| Show InChI InChI=1S/C32H29N5O2/c1-35-19-25(23-9-2-4-11-27(23)35)29-30(32(39)34-31(29)38)26-20-37(28-12-5-3-10-24(26)28)22-13-16-36(17-14-22)18-21-8-6-7-15-33-21/h2-12,15,19-20,22H,13-14,16-18H2,1H3,(H,34,38,39)	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a
Ambit Biosciences Curated by ChEMBL					Assay Description Binding constant for PCTK2 kinase domain				Nat Biotechnol 29: 1046-51 (2011) Article DOI: 10.1038/nbt.1990 BindingDB Entry DOI: 10.7270/Q25D8S70
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 17 (Homo sapiens (Human))	BDBM12621 (2,4-Diamino-5-ketopyrimidine 39 | 5-[(2,3-difluoro...) Show SMILES COc1ccc(F)c(F)c1C(=O)c1cnc(NC2CCN(CC2)S(C)(=O)=O)nc1N Show InChI InChI=1S/C18H21F2N5O4S/c1-29-13-4-3-12(19)15(20)14(13)16(26)11-9-22-18(24-17(11)21)23-10-5-7-25(8-6-10)30(2,27)28/h3-4,9-10H,5-8H2,1-2H3,(H3,21,22,23,24)	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	0.860	n/a	n/a	n/a	n/a	n/a
Ambit Biosciences Curated by ChEMBL					Assay Description Binding constant for PCTK2 kinase domain				Nat Biotechnol 29: 1046-51 (2011) Article DOI: 10.1038/nbt.1990 BindingDB Entry DOI: 10.7270/Q25D8S70
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 17 (Homo sapiens (Human))	BDBM5655 (2-(2-chlorophenyl)-5,7-dihydroxy-8-[(3S,4R)-3-hydr...) Show SMILES CN1CC[C@@H]([C@H](O)C1)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1Cl |r| Show InChI InChI=1S/C21H20ClNO5/c1-23-7-6-12(17(27)10-23)19-14(24)8-15(25)20-16(26)9-18(28-21(19)20)11-4-2-3-5-13(11)22/h2-5,8-9,12,17,24-25,27H,6-7,10H2,1H3/t12-,17+/m0/s1	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	480	n/a	n/a	n/a	n/a	n/a
Ambit Biosciences Curated by ChEMBL					Assay Description Binding constant for PCTK2 kinase domain				Nat Biotechnol 29: 1046-51 (2011) Article DOI: 10.1038/nbt.1990 BindingDB Entry DOI: 10.7270/Q25D8S70
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 17 (Homo sapiens (Human))	BDBM50355494 (CHEMBL1908396) Show SMILES COc1cc(Oc2ccnc3cc(OC)c(OC)cc23)ccc1NC(=O)NC(C)c1nccs1 Show InChI InChI=1S/C24H24N4O5S/c1-14(23-26-9-10-34-23)27-24(29)28-17-6-5-15(11-20(17)30-2)33-19-7-8-25-18-13-22(32-4)21(31-3)12-16(18)19/h5-14H,1-4H3,(H2,27,28,29)	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a
Ambit Biosciences Curated by ChEMBL					Assay Description Binding constant for PCTK2 kinase domain				Nat Biotechnol 29: 1046-51 (2011) Article DOI: 10.1038/nbt.1990 BindingDB Entry DOI: 10.7270/Q25D8S70
					More data for this Ligand-Target Pair

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