Compile Data Set for Download or QSAR

Found 106 hits of ic50 for UniProtKB: O75909   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Cyclin-K/Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM525743 (US11174252, Compound 38) Show SMILES CC(C)N1CCOc2c(F)cc(cc12)-c1nc(Nc2ccc(nc2)N2CCC(CC2)N(C)C)ncc1F Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description CDK9 (cyclin K): IC50 values of compounds against CDK9 (cyclin K) were determined by LanthaScreen™ Eu Kinase Binding Assay at Invitrogen Life Te...				Citation and Details BindingDB Entry DOI: 10.7270/Q27D2Z99
					More data for this Ligand-Target Pair
Cyclin-K (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	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Anhui Medical University Curated by ChEMBL					Assay Description Inhibition of recombinant human full-length N-terminal GST-tagged CDK9/cyclinK expressed in baculovirus infected Sf9 insect cells using PDKtide as su...				J Med Chem 63: 3327-3347 (2020) Article DOI: 10.1021/acs.jmedchem.9b02121 BindingDB Entry DOI: 10.7270/Q2N87F9B
					More data for this Ligand-Target Pair
Cyclin-K/Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM525738 (US11174252, Compound 33) Show SMILES CC(C)N1CCOc2c(F)cc(cc12)-c1nc(Nc2ccc(nc2)C2CCN(C)CC2)ncc1F Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description CDK9 (cyclin K): IC50 values of compounds against CDK9 (cyclin K) were determined by LanthaScreen™ Eu Kinase Binding Assay at Invitrogen Life Te...				Citation and Details BindingDB Entry DOI: 10.7270/Q27D2Z99
					More data for this Ligand-Target Pair
Cyclin-K (Homo sapiens (Human))	BDBM50466217 (CHEMBL4287416) Show SMILES COCCN[C@H]1CC[C@@H](CC1)Nc1cc(-c2csc(NCc3ccc(F)cc3)n2)c(Cl)cn1 |r,wU:8.11,wD:5.4,(60.95,-27.74,;62.29,-26.97,;63.62,-27.74,;64.95,-26.97,;66.29,-27.74,;67.62,-26.97,;68.95,-27.74,;70.29,-26.97,;70.29,-25.43,;68.95,-24.66,;67.62,-25.43,;71.62,-24.66,;72.96,-25.43,;74.29,-24.66,;75.62,-25.43,;76.96,-24.66,;77.11,-23.12,;78.63,-22.81,;79.4,-24.14,;80.93,-24.13,;81.71,-25.46,;83.25,-25.46,;84.01,-26.79,;85.55,-26.79,;86.32,-25.45,;87.86,-25.45,;85.53,-24.12,;84,-24.13,;78.36,-25.28,;75.62,-26.97,;76.96,-27.74,;74.29,-27.74,;72.96,-26.97,)| Show InChI InChI=1S/C24H29ClFN5OS/c1-32-11-10-27-18-6-8-19(9-7-18)30-23-12-20(21(25)14-28-23)22-15-33-24(31-22)29-13-16-2-4-17(26)5-3-16/h2-5,12,14-15,18-19,27H,6-11,13H2,1H3,(H,28,30)(H,29,31)/t18-,19-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of CDK9/Cyclin K (unknown origin) using PDKtide as substrate incubated at 37 degreeC for 1 hr followed by incubation at room temperature f...				Eur J Med Chem 158: 896-916 (2018) Article DOI: 10.1016/j.ejmech.2018.09.025 BindingDB Entry DOI: 10.7270/Q2DJ5J9D
					More data for this Ligand-Target Pair
Cyclin-K (Homo sapiens (Human))	BDBM50466226 (CHEMBL4293213) Show SMILES COCCN[C@H]1CC[C@@H](CC1)Nc1cc(-c2csc(NCC3CCOCC3)n2)c(Cl)cn1 |r,wU:8.11,wD:5.4,(56.99,-20.43,;56.98,-21.97,;58.31,-22.74,;58.31,-24.28,;59.64,-25.06,;60.97,-24.29,;62.31,-25.06,;63.65,-24.3,;63.64,-22.77,;62.31,-21.99,;60.98,-22.75,;64.97,-21.99,;66.31,-22.76,;67.64,-21.99,;68.97,-22.76,;70.3,-21.98,;70.36,-20.45,;71.83,-20.01,;72.7,-21.29,;74.24,-21.34,;74.96,-22.7,;76.5,-22.75,;77.22,-24.11,;78.75,-24.17,;79.58,-22.86,;78.85,-21.5,;77.31,-21.44,;71.75,-22.5,;68.98,-24.31,;70.31,-25.08,;67.64,-25.08,;66.31,-24.31,)| Show InChI InChI=1S/C23H34ClN5O2S/c1-30-11-8-25-17-2-4-18(5-3-17)28-22-12-19(20(24)14-26-22)21-15-32-23(29-21)27-13-16-6-9-31-10-7-16/h12,14-18,25H,2-11,13H2,1H3,(H,26,28)(H,27,29)/t17-,18-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of CDK9/Cyclin K (unknown origin) using PDKtide as substrate incubated at 37 degreeC for 1 hr followed by incubation at room temperature f...				Eur J Med Chem 158: 896-916 (2018) Article DOI: 10.1016/j.ejmech.2018.09.025 BindingDB Entry DOI: 10.7270/Q2DJ5J9D
					More data for this Ligand-Target Pair
Cyclin-K (Homo sapiens (Human))	BDBM50363196 (CHEMBL1944698) Show SMILES CN1C\C=C\CCOc2cccc(c2)-c2ccnc(Nc3cccc(C1)c3)n2 |t:3| Show InChI InChI=1S/C23H24N4O/c1-27-13-3-2-4-14-28-21-10-6-8-19(16-21)22-11-12-24-23(26-22)25-20-9-5-7-18(15-20)17-27/h2-3,5-12,15-16H,4,13-14,17H2,1H3,(H,24,25,26)/b3-2+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
University of South Australia Cancer Research Institute Curated by ChEMBL					Assay Description Inhibition of human recombinant full length His-tagged CDK9/cyclin K expressed in baculovirus expression system				J Med Chem 62: 4233-4251 (2019) Article DOI: 10.1021/acs.jmedchem.8b01469 BindingDB Entry DOI: 10.7270/Q26Q21J2
					More data for this Ligand-Target Pair
Cyclin-K/Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM525729 (US11174252, Compound 24) Show SMILES CC(C)N1CCOc2c(F)cc(cc12)-c1nc(Nc2ccc(C3CCN(C)CC3)c(F)c2)ncc1F Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description CDK9 (cyclin K): IC50 values of compounds against CDK9 (cyclin K) were determined by LanthaScreen™ Eu Kinase Binding Assay at Invitrogen Life Te...				Citation and Details BindingDB Entry DOI: 10.7270/Q27D2Z99
					More data for this Ligand-Target Pair
Cyclin-K/Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM525750 (US11174252, Compound 437) Show SMILES CC(C)N1CCOc2c(F)cc(cc12)-c1nc(Nc2ccn(C3CCNCC3)c(=O)c2)ncc1F Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description CDK9 (cyclin K): IC50 values of compounds against CDK9 (cyclin K) were determined by LanthaScreen™ Eu Kinase Binding Assay at Invitrogen Life Te...				Citation and Details BindingDB Entry DOI: 10.7270/Q27D2Z99
					More data for this Ligand-Target Pair
Cyclin-K/Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM525730 (US11174252, Compound 25) Show SMILES CC(C)N1CCOc2c(F)cc(cc12)-c1nc(Nc2ccc(N3CCC(CC3)N(C)C)c(F)c2)ncc1F Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia 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
TBA					Assay Description CDK9 (cyclin K): IC50 values of compounds against CDK9 (cyclin K) were determined by LanthaScreen™ Eu Kinase Binding Assay at Invitrogen Life Te...				Citation and Details BindingDB Entry DOI: 10.7270/Q27D2Z99
					More data for this Ligand-Target Pair
Cyclin-K (Homo sapiens (Human))	BDBM50466210 (CHEMBL4281048) Show SMILES COCCN[C@H]1CC[C@@H](CC1)Nc1cc(-c2csc(NCC3(CCOCC3)C#N)n2)c(Cl)cn1 |r,wU:8.11,wD:5.4,(30.42,-38.05,;31.76,-37.28,;33.09,-38.05,;34.43,-37.28,;35.76,-38.05,;37.09,-37.28,;38.42,-38.05,;39.76,-37.28,;39.76,-35.74,;38.42,-34.97,;37.09,-35.74,;41.09,-34.97,;42.43,-35.74,;43.76,-34.97,;45.09,-35.74,;46.42,-34.97,;46.59,-33.43,;48.1,-33.12,;48.87,-34.45,;50.4,-34.45,;51.18,-35.78,;52.72,-35.77,;53.48,-37.11,;55.02,-37.11,;55.79,-35.77,;55.02,-34.44,;53.47,-34.43,;51.94,-37.1,;51.16,-38.43,;47.83,-35.59,;45.09,-37.28,;46.42,-38.05,;43.76,-38.05,;42.43,-37.28,)| Show InChI InChI=1S/C24H33ClN6O2S/c1-32-11-8-27-17-2-4-18(5-3-17)30-22-12-19(20(25)13-28-22)21-14-34-23(31-21)29-16-24(15-26)6-9-33-10-7-24/h12-14,17-18,27H,2-11,16H2,1H3,(H,28,30)(H,29,31)/t17-,18-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of CDK9/Cyclin K (unknown origin) using PDKtide as substrate incubated at 37 degreeC for 1 hr followed by incubation at room temperature f...				Eur J Med Chem 158: 896-916 (2018) Article DOI: 10.1016/j.ejmech.2018.09.025 BindingDB Entry DOI: 10.7270/Q2DJ5J9D
					More data for this Ligand-Target Pair
Cyclin-K (Homo sapiens (Human))	BDBM50466216 (CHEMBL4291684) Show SMILES COC[C@@H](C)N[C@H]1CC[C@@H](CC1)Nc1cc(-c2csc(NCC3(CCOCC3)C#N)n2)c(Cl)cn1 |r,wU:9.12,3.3,wD:6.5,(61.2,-38.57,;62.54,-37.81,;63.87,-38.57,;65.2,-37.81,;65.2,-36.28,;66.54,-38.57,;67.86,-37.81,;69.2,-38.57,;70.54,-37.81,;70.54,-36.27,;69.2,-35.49,;67.86,-36.27,;71.87,-35.49,;73.2,-36.27,;74.54,-35.49,;75.87,-36.27,;77.2,-35.49,;77.37,-33.96,;78.88,-33.65,;79.65,-34.98,;81.18,-34.97,;81.96,-36.3,;83.5,-36.3,;84.26,-37.63,;85.79,-37.63,;86.57,-36.3,;85.79,-34.96,;84.25,-34.96,;82.71,-37.63,;81.93,-38.95,;78.61,-36.12,;75.87,-37.81,;77.2,-38.57,;74.54,-38.57,;73.2,-37.81,)| Show InChI InChI=1S/C25H35ClN6O2S/c1-17(13-33-2)30-18-3-5-19(6-4-18)31-23-11-20(21(26)12-28-23)22-14-35-24(32-22)29-16-25(15-27)7-9-34-10-8-25/h11-12,14,17-19,30H,3-10,13,16H2,1-2H3,(H,28,31)(H,29,32)/t17-,18-,19-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of CDK9/Cyclin K (unknown origin) using PDKtide as substrate incubated at 37 degreeC for 1 hr followed by incubation at room temperature f...				Eur J Med Chem 158: 896-916 (2018) Article DOI: 10.1016/j.ejmech.2018.09.025 BindingDB Entry DOI: 10.7270/Q2DJ5J9D
					More data for this Ligand-Target Pair
Cyclin-K (Homo sapiens (Human))	BDBM50466238 (CHEMBL4277623) Show SMILES COC[C@H](C)N[C@H]1CC[C@@H](CC1)Nc1cc(-c2csc(NCC3(CCOCC3)C#N)n2)c(Cl)cn1 |r,wU:9.12,wD:6.5,3.3,(3.1,-47.64,;4.44,-46.87,;5.77,-47.64,;7.11,-46.87,;7.11,-45.34,;8.45,-47.64,;9.77,-46.87,;11.11,-47.64,;12.44,-46.87,;12.44,-45.33,;11.11,-44.56,;9.77,-45.33,;13.77,-44.56,;15.11,-45.33,;16.45,-44.56,;17.78,-45.33,;19.11,-44.56,;19.27,-43.02,;20.78,-42.71,;21.55,-44.04,;23.08,-44.03,;23.86,-45.37,;25.4,-45.36,;26.16,-46.7,;27.7,-46.69,;28.47,-45.36,;27.7,-44.03,;26.15,-44.02,;24.62,-46.69,;23.84,-48.02,;20.51,-45.18,;17.78,-46.87,;19.11,-47.64,;16.45,-47.64,;15.11,-46.87,)| Show InChI InChI=1S/C25H35ClN6O2S/c1-17(13-33-2)30-18-3-5-19(6-4-18)31-23-11-20(21(26)12-28-23)22-14-35-24(32-22)29-16-25(15-27)7-9-34-10-8-25/h11-12,14,17-19,30H,3-10,13,16H2,1-2H3,(H,28,31)(H,29,32)/t17-,18-,19-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of CDK9/Cyclin K (unknown origin) using PDKtide as substrate incubated at 37 degreeC for 1 hr followed by incubation at room temperature f...				Eur J Med Chem 158: 896-916 (2018) Article DOI: 10.1016/j.ejmech.2018.09.025 BindingDB Entry DOI: 10.7270/Q2DJ5J9D
					More data for this Ligand-Target Pair
Cyclin-K (Homo sapiens (Human))	BDBM50466240 (CHEMBL4286005) Show SMILES COCCCN[C@H]1CC[C@@H](CC1)Nc1cc(-c2csc(NCC3CCOCC3)n2)c(Cl)cn1 |r,wU:9.12,wD:6.5,(2.35,-31.12,;3.68,-31.9,;3.67,-33.44,;5.01,-34.21,;5,-35.75,;6.33,-36.53,;7.67,-35.76,;9,-36.54,;10.34,-35.77,;10.33,-34.24,;9,-33.46,;7.67,-34.22,;11.67,-33.47,;13,-34.24,;14.33,-33.47,;15.67,-34.23,;17,-33.46,;17.05,-31.92,;18.52,-31.48,;19.39,-32.76,;20.93,-32.81,;21.66,-34.17,;23.2,-34.22,;23.92,-35.58,;25.45,-35.64,;26.27,-34.34,;25.55,-32.97,;24,-32.92,;18.45,-33.98,;15.67,-35.78,;17.01,-36.55,;14.33,-36.55,;13,-35.78,)| Show InChI InChI=1S/C24H36ClN5O2S/c1-31-10-2-9-26-18-3-5-19(6-4-18)29-23-13-20(21(25)15-27-23)22-16-33-24(30-22)28-14-17-7-11-32-12-8-17/h13,15-19,26H,2-12,14H2,1H3,(H,27,29)(H,28,30)/t18-,19-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of CDK9/Cyclin K (unknown origin) using PDKtide as substrate incubated at 37 degreeC for 1 hr followed by incubation at room temperature f...				Eur J Med Chem 158: 896-916 (2018) Article DOI: 10.1016/j.ejmech.2018.09.025 BindingDB Entry DOI: 10.7270/Q2DJ5J9D
					More data for this Ligand-Target Pair
Cyclin-K/Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM50059889 ((staurosporine)3-methoxy-2-methyl-4-methylamino-(2...) Show SMILES CN[C@@H]1CC2O[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+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
H. Lee Moffitt Cancer Center and Research Institute Curated by ChEMBL					Assay Description Inhibition of CDK9/Cyclin K (unknown origin)-mediated phosphorylation of peptide substrate incubated for 15 mins prior to substrate addition measured...				J Med Chem 56: 3768-82 (2013) Article DOI: 10.1021/jm301234k BindingDB Entry DOI: 10.7270/Q25T3MV7
					More data for this Ligand-Target Pair
Cyclin-K (Homo sapiens (Human))	BDBM50433369 (CHEMBL2377825) Show SMILES Nc1nc(Nc2ccc(cc2)S(N)(=O)=O)sc1C(=O)c1ccccc1[N+]([O-])=O Show InChI InChI=1S/C16H13N5O5S2/c17-15-14(13(22)11-3-1-2-4-12(11)21(23)24)27-16(20-15)19-9-5-7-10(8-6-9)28(18,25)26/h1-8H,17H2,(H,19,20)(H2,18,25,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
H. Lee Moffitt Cancer Center and Research Institute Curated by ChEMBL					Assay Description Inhibition of CDK9/Cyclin K (unknown origin)-mediated phosphorylation of peptide substrate incubated for 15 mins prior to substrate addition measured...				J Med Chem 56: 3768-82 (2013) Article DOI: 10.1021/jm301234k BindingDB Entry DOI: 10.7270/Q25T3MV7
					More data for this Ligand-Target Pair
Cyclin-K (Homo sapiens (Human))	BDBM50466222 (CHEMBL4279576) Show SMILES COCCN[C@H]1CC[C@@H](CC1)Nc1cc(-c2csc(SCC3CCOCC3)n2)c(Cl)cn1 |r,wU:8.11,wD:5.4,(29.21,-54,;30.55,-53.23,;31.88,-54.01,;33.22,-53.24,;34.55,-54.02,;35.88,-53.25,;37.22,-54.03,;38.56,-53.26,;38.55,-51.73,;37.22,-50.95,;35.89,-51.71,;39.88,-50.96,;41.22,-51.73,;42.55,-50.96,;43.88,-51.72,;45.21,-50.95,;45.26,-49.41,;46.74,-48.97,;47.61,-50.25,;49.15,-50.3,;49.87,-51.66,;51.41,-51.71,;52.13,-53.07,;53.66,-53.13,;54.48,-51.82,;53.76,-50.46,;52.22,-50.41,;46.66,-51.47,;43.89,-53.27,;45.22,-54.04,;42.55,-54.04,;41.22,-53.27,)| Show InChI InChI=1S/C23H33ClN4O2S2/c1-29-11-8-25-17-2-4-18(5-3-17)27-22-12-19(20(24)13-26-22)21-15-32-23(28-21)31-14-16-6-9-30-10-7-16/h12-13,15-18,25H,2-11,14H2,1H3,(H,26,27)/t17-,18-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of CDK9/Cyclin K (unknown origin) using PDKtide as substrate incubated at 37 degreeC for 1 hr followed by incubation at room temperature f...				Eur J Med Chem 158: 896-916 (2018) Article DOI: 10.1016/j.ejmech.2018.09.025 BindingDB Entry DOI: 10.7270/Q2DJ5J9D
					More data for this Ligand-Target Pair
Cyclin-K (Homo sapiens (Human))	BDBM50466218 (CHEMBL4278245) Show SMILES COCCN[C@H]1CC[C@@H](CC1)Nc1cc(-c2csc(NCc3ccccc3)n2)c(Cl)cn1 |r,wU:8.11,wD:5.4,(31.82,-28.21,;33.16,-27.44,;34.48,-28.21,;35.82,-27.44,;37.16,-28.21,;38.49,-27.44,;39.82,-28.21,;41.16,-27.44,;41.16,-25.9,;39.82,-25.13,;38.49,-25.9,;42.49,-25.13,;43.82,-25.9,;45.16,-25.13,;46.49,-25.9,;47.83,-25.13,;47.98,-23.59,;49.49,-23.28,;50.26,-24.61,;51.8,-24.6,;52.57,-25.93,;54.11,-25.93,;54.88,-27.26,;56.42,-27.26,;57.18,-25.92,;56.4,-24.58,;54.87,-24.6,;49.23,-25.75,;46.49,-27.44,;47.83,-28.21,;45.16,-28.21,;43.82,-27.44,)| Show InChI InChI=1S/C24H30ClN5OS/c1-31-12-11-26-18-7-9-19(10-8-18)29-23-13-20(21(25)15-27-23)22-16-32-24(30-22)28-14-17-5-3-2-4-6-17/h2-6,13,15-16,18-19,26H,7-12,14H2,1H3,(H,27,29)(H,28,30)/t18-,19-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of CDK9/Cyclin K (unknown origin) using PDKtide as substrate incubated at 37 degreeC for 1 hr followed by incubation at room temperature f...				Eur J Med Chem 158: 896-916 (2018) Article DOI: 10.1016/j.ejmech.2018.09.025 BindingDB Entry DOI: 10.7270/Q2DJ5J9D
					More data for this Ligand-Target Pair
Cyclin-K (Homo sapiens (Human))	BDBM50466221 (CHEMBL4281710) Show SMILES COCCN[C@H]1CC[C@@H](CC1)Nc1cc(-c2csc(NCC(F)(F)F)n2)c(Cl)cn1 |r,wU:8.11,wD:5.4,(24.29,-8.21,;25.62,-7.44,;26.95,-8.21,;28.28,-7.44,;29.62,-8.21,;30.95,-7.44,;32.28,-8.21,;33.61,-7.44,;33.61,-5.91,;32.28,-5.14,;30.95,-5.91,;34.94,-5.14,;36.28,-5.91,;37.61,-5.14,;38.94,-5.91,;40.27,-5.14,;40.43,-3.61,;41.94,-3.29,;42.71,-4.62,;44.23,-4.78,;45.14,-3.54,;46.67,-3.53,;47.44,-4.86,;47.44,-2.2,;48.21,-3.53,;41.68,-5.76,;38.94,-7.44,;40.27,-8.21,;37.61,-8.21,;36.28,-7.44,)| Show InChI InChI=1S/C19H25ClF3N5OS/c1-29-7-6-24-12-2-4-13(5-3-12)27-17-8-14(15(20)9-25-17)16-10-30-18(28-16)26-11-19(21,22)23/h8-10,12-13,24H,2-7,11H2,1H3,(H,25,27)(H,26,28)/t12-,13-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of CDK9/Cyclin K (unknown origin) using PDKtide as substrate incubated at 37 degreeC for 1 hr followed by incubation at room temperature f...				Eur J Med Chem 158: 896-916 (2018) Article DOI: 10.1016/j.ejmech.2018.09.025 BindingDB Entry DOI: 10.7270/Q2DJ5J9D
					More data for this Ligand-Target Pair
Cyclin-K (Homo sapiens (Human))	BDBM8131 (N-(4-Isopropylphenyl)-4-pyrazolo[1,5-b]pyridazin-3...) Show SMILES CC(C)c1ccc(Nc2nccc(n2)-c2cnn3ncccc23)cc1 Show InChI InChI=1S/C19H18N6/c1-13(2)14-5-7-15(8-6-14)23-19-20-11-9-17(24-19)16-12-22-25-18(16)4-3-10-21-25/h3-13H,1-2H3,(H,20,23,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars		n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Ability to displace [3H]glycine from strychnine-insensitive glycine receptor				Citation and Details
					More data for this Ligand-Target Pair
Cyclin-K (Homo sapiens (Human))	BDBM50466235 (CHEMBL4282838) Show SMILES N[C@H]1CC[C@@H](CC1)Nc1cc(-c2csc(NCC3CCOCC3)n2)c(Cl)cn1 |r,wU:1.0,wD:4.7,(28.77,-7.75,;28.77,-9.29,;30.1,-10.06,;30.1,-11.6,;28.77,-12.37,;27.44,-11.6,;27.44,-10.06,;28.77,-13.91,;30.1,-14.68,;31.43,-13.91,;32.77,-14.68,;34.1,-13.9,;34.15,-12.37,;35.63,-11.93,;36.5,-13.21,;38.04,-13.21,;38.81,-11.88,;40.35,-11.88,;41.12,-13.21,;42.66,-13.21,;43.43,-11.88,;42.66,-10.54,;41.12,-10.54,;35.55,-14.42,;32.77,-16.23,;34.11,-17,;31.44,-17,;30.1,-16.23,)| Show InChI InChI=1S/C20H28ClN5OS/c21-17-11-23-19(25-15-3-1-14(22)2-4-15)9-16(17)18-12-28-20(26-18)24-10-13-5-7-27-8-6-13/h9,11-15H,1-8,10,22H2,(H,23,25)(H,24,26)/t14-,15-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of CDK9/Cyclin K (unknown origin) using PDKtide as substrate incubated at 37 degreeC for 1 hr followed by incubation at room temperature f...				Eur J Med Chem 158: 896-916 (2018) Article DOI: 10.1016/j.ejmech.2018.09.025 BindingDB Entry DOI: 10.7270/Q2DJ5J9D
					More data for this Ligand-Target Pair
Cyclin-K (Homo sapiens (Human))	BDBM50466219 (CHEMBL4293383) Show SMILES COCCN[C@H]1CC[C@@H](CC1)Nc1cc(-c2csc(NCC3CCCCC3)n2)c(Cl)cn1 |r,wU:8.11,wD:5.4,(60.13,-16.78,;61.47,-16.01,;62.8,-16.78,;64.13,-16.01,;65.47,-16.78,;66.8,-16.01,;68.13,-16.78,;69.47,-16.01,;69.47,-14.47,;68.13,-13.7,;66.8,-14.47,;70.8,-13.7,;72.13,-14.47,;73.47,-13.7,;74.8,-14.47,;76.14,-13.7,;76.29,-12.16,;77.8,-11.85,;78.57,-13.18,;80.11,-13.17,;80.88,-14.5,;82.42,-14.5,;83.19,-15.83,;84.72,-15.83,;85.49,-14.5,;84.72,-13.16,;83.18,-13.16,;77.54,-14.32,;74.8,-16.01,;76.14,-16.78,;73.47,-16.78,;72.13,-16.01,)| Show InChI InChI=1S/C24H36ClN5OS/c1-31-12-11-26-18-7-9-19(10-8-18)29-23-13-20(21(25)15-27-23)22-16-32-24(30-22)28-14-17-5-3-2-4-6-17/h13,15-19,26H,2-12,14H2,1H3,(H,27,29)(H,28,30)/t18-,19-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of CDK9/Cyclin K (unknown origin) using PDKtide as substrate incubated at 37 degreeC for 1 hr followed by incubation at room temperature f...				Eur J Med Chem 158: 896-916 (2018) Article DOI: 10.1016/j.ejmech.2018.09.025 BindingDB Entry DOI: 10.7270/Q2DJ5J9D
					More data for this Ligand-Target Pair
Cyclin-K (Homo sapiens (Human))	BDBM50466212 (CHEMBL4287488) Show SMILES COCCN[C@H]1CC[C@@H](CC1)Nc1cc(-c2csc(OCC3CCOCC3)n2)c(Cl)cn1 |r,wU:8.11,wD:5.4,(1.15,-55.23,;2.49,-54.46,;3.81,-55.23,;5.15,-54.46,;6.48,-55.23,;7.81,-54.46,;9.14,-55.23,;10.48,-54.46,;10.48,-52.92,;9.14,-52.15,;7.81,-52.92,;11.8,-52.15,;13.14,-52.92,;14.47,-52.15,;15.8,-52.92,;17.13,-52.15,;17.29,-50.62,;18.8,-50.31,;19.57,-51.63,;21.1,-51.8,;22,-50.55,;23.53,-50.71,;24.15,-52.11,;25.69,-52.27,;26.59,-51.03,;25.96,-49.63,;24.44,-49.47,;18.54,-52.77,;15.8,-54.46,;17.13,-55.23,;14.47,-55.23,;13.14,-54.46,)| Show InChI InChI=1S/C23H33ClN4O3S/c1-29-11-8-25-17-2-4-18(5-3-17)27-22-12-19(20(24)13-26-22)21-15-32-23(28-21)31-14-16-6-9-30-10-7-16/h12-13,15-18,25H,2-11,14H2,1H3,(H,26,27)/t17-,18-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of CDK9/Cyclin K (unknown origin) using PDKtide as substrate incubated at 37 degreeC for 1 hr followed by incubation at room temperature f...				Eur J Med Chem 158: 896-916 (2018) Article DOI: 10.1016/j.ejmech.2018.09.025 BindingDB Entry DOI: 10.7270/Q2DJ5J9D
					More data for this Ligand-Target Pair
Cyclin-K (Homo sapiens (Human))	BDBM50270298 (CHEMBL4075720) Show SMILES CN1CCN(Cc2ccc(NC(=O)c3n[nH]cc3Nc3ncnc4sccc34)cc2)CC1 Show InChI InChI=1S/C22H24N8OS/c1-29-7-9-30(10-8-29)13-15-2-4-16(5-3-15)26-21(31)19-18(12-25-28-19)27-20-17-6-11-32-22(17)24-14-23-20/h2-6,11-12,14H,7-10,13H2,1H3,(H,25,28)(H,26,31)(H,23,24,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	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
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of human CDK9/Cyclin K using KTFCGTPEYLAPEVRREPRILSEEEQEMFRDFDYIADWC as substrate preincubated for 20 mins followed by [gamma-33P]-ATP add...				J Med Chem 61: 1499-1518 (2018) Article DOI: 10.1021/acs.jmedchem.7b01261 BindingDB Entry DOI: 10.7270/Q2FR003K
					More data for this Ligand-Target Pair
Cyclin-K (Homo sapiens (Human))	BDBM50538150 (CHEMBL4647703) Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc(Cl)c(Nc3cccc(NC(C)=O)c3)n2)nc1 Show InChI InChI=1S/C22H25ClN8O/c1-15(32)26-16-4-3-5-17(12-16)27-21-19(23)14-25-22(29-21)28-20-7-6-18(13-24-20)31-10-8-30(2)9-11-31/h3-7,12-14H,8-11H2,1-2H3,(H,26,32)(H2,24,25,27,28,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Anhui Medical University Curated by ChEMBL					Assay Description Inhibition of recombinant human full-length N-terminal GST-tagged CDK9/cyclinK expressed in baculovirus infected Sf9 insect cells using PDKtide as su...				J Med Chem 63: 3327-3347 (2020) Article DOI: 10.1021/acs.jmedchem.9b02121 BindingDB Entry DOI: 10.7270/Q2N87F9B
					More data for this Ligand-Target Pair
Cyclin-K/Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM525755 (US11174252, Compound 442) Show SMILES CC(C)N1CCOc2c(F)cc(cc12)-c1nc(Nc2ccc(cn2)C2CCN(C)CC2)ncc1F Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	US Patent	n/a	n/a	41	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description CDK9 (cyclin K): IC50 values of compounds against CDK9 (cyclin K) were determined by LanthaScreen™ Eu Kinase Binding Assay at Invitrogen Life Te...				Citation and Details BindingDB Entry DOI: 10.7270/Q27D2Z99
					More data for this Ligand-Target Pair
Cyclin-K (Homo sapiens (Human))	BDBM50466225 (CHEMBL4278079) Show SMILES CCOCCN[C@H]1CC[C@@H](CC1)Nc1cc(-c2csc(NCC3CCOCC3)n2)c(Cl)cn1 |r,wU:9.12,wD:6.5,(31.06,-29.39,;29.72,-30.16,;29.71,-31.7,;31.04,-32.47,;31.04,-34.01,;32.37,-34.79,;33.71,-34.02,;35.04,-34.79,;36.38,-34.03,;36.37,-32.49,;35.04,-31.72,;33.71,-32.48,;37.71,-31.72,;39.04,-32.49,;40.37,-31.72,;41.7,-32.49,;43.04,-31.71,;43.09,-30.18,;44.56,-29.74,;45.43,-31.02,;46.97,-31.07,;47.7,-32.43,;49.23,-32.48,;49.95,-33.84,;51.49,-33.9,;52.31,-32.59,;51.58,-31.23,;50.04,-31.17,;44.48,-32.23,;41.71,-34.04,;43.04,-34.81,;40.37,-34.81,;39.04,-34.04,)| Show InChI InChI=1S/C24H36ClN5O2S/c1-2-31-12-9-26-18-3-5-19(6-4-18)29-23-13-20(21(25)15-27-23)22-16-33-24(30-22)28-14-17-7-10-32-11-8-17/h13,15-19,26H,2-12,14H2,1H3,(H,27,29)(H,28,30)/t18-,19-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	51	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of CDK9/Cyclin K (unknown origin) using PDKtide as substrate incubated at 37 degreeC for 1 hr followed by incubation at room temperature f...				Eur J Med Chem 158: 896-916 (2018) Article DOI: 10.1016/j.ejmech.2018.09.025 BindingDB Entry DOI: 10.7270/Q2DJ5J9D
					More data for this Ligand-Target Pair
Cyclin-K (Homo sapiens (Human))	BDBM50538119 (CHEMBL4633552) Show SMILES Cc1ccccc1Nc1nc(Nc2ccc(cn2)N2CCOCC2)ncc1Cl Show InChI InChI=1S/C20H21ClN6O/c1-14-4-2-3-5-17(14)24-19-16(21)13-23-20(26-19)25-18-7-6-15(12-22-18)27-8-10-28-11-9-27/h2-7,12-13H,8-11H2,1H3,(H2,22,23,24,25,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	51	n/a	n/a	n/a	n/a	n/a	n/a
Anhui Medical University Curated by ChEMBL					Assay Description Inhibition of recombinant human full-length N-terminal GST-tagged CDK9/cyclinK expressed in baculovirus infected Sf9 insect cells using PDKtide as su...				J Med Chem 63: 3327-3347 (2020) Article DOI: 10.1021/acs.jmedchem.9b02121 BindingDB Entry DOI: 10.7270/Q2N87F9B
					More data for this Ligand-Target Pair
Cyclin-K (Homo sapiens (Human))	BDBM50110183 (Abemaciclib | LY-2835219 | US10626107, Example LY2...) Show SMILES CCN1CCN(Cc2ccc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C(C)C)c4c3)nc2)CC1 Show InChI InChI=1S/C27H32F2N8/c1-5-35-8-10-36(11-9-35)16-19-6-7-24(30-14-19)33-27-31-15-22(29)25(34-27)20-12-21(28)26-23(13-20)37(17(2)3)18(4)32-26/h6-7,12-15,17H,5,8-11,16H2,1-4H3,(H,30,31,33,34)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	65	n/a	n/a	n/a	n/a	n/a	n/a
Anhui Medical University Curated by ChEMBL					Assay Description Inhibition of recombinant human full-length N-terminal GST-tagged CDK9/cyclinK expressed in baculovirus infected Sf9 insect cells using PDKtide as su...				J Med Chem 63: 3327-3347 (2020) Article DOI: 10.1021/acs.jmedchem.9b02121 BindingDB Entry DOI: 10.7270/Q2N87F9B
					More data for this Ligand-Target Pair
Cyclin-K/Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM525749 (US11174252, Compound 436) Show SMILES CC(C)N1CCOc2c(F)cc(cc12)-c1nc(Nc2ccc(cn2)N2CCC(CC2)N(C)C)ncc1F Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	73	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description CDK9 (cyclin K): IC50 values of compounds against CDK9 (cyclin K) were determined by LanthaScreen™ Eu Kinase Binding Assay at Invitrogen Life Te...				Citation and Details BindingDB Entry DOI: 10.7270/Q27D2Z99
					More data for this Ligand-Target Pair
Cyclin-K (Homo sapiens (Human))	BDBM50466233 (CHEMBL4285545) Show SMILES COCCN[C@H]1CC[C@@H](CC1)Nc1cc(-c2csc(NCC3CCCC3)n2)c(Cl)cn1 |r,wU:8.11,wD:5.4,(29.74,-19.11,;31.08,-18.34,;32.41,-19.11,;33.74,-18.34,;35.08,-19.11,;36.41,-18.34,;37.74,-19.11,;39.08,-18.34,;39.08,-16.8,;37.74,-16.03,;36.41,-16.8,;40.41,-16.03,;41.74,-16.8,;43.08,-16.03,;44.41,-16.8,;45.74,-16.03,;45.9,-14.5,;47.41,-14.18,;48.18,-15.51,;49.72,-15.51,;50.49,-16.84,;52.03,-16.83,;52.94,-18.07,;54.41,-17.59,;54.4,-16.05,;52.94,-15.58,;47.15,-16.65,;44.41,-18.34,;45.74,-19.11,;43.08,-19.11,;41.74,-18.34,)| Show InChI InChI=1S/C23H34ClN5OS/c1-30-11-10-25-17-6-8-18(9-7-17)28-22-12-19(20(24)14-26-22)21-15-31-23(29-21)27-13-16-4-2-3-5-16/h12,14-18,25H,2-11,13H2,1H3,(H,26,28)(H,27,29)/t17-,18-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of CDK9/Cyclin K (unknown origin) using PDKtide as substrate incubated at 37 degreeC for 1 hr followed by incubation at room temperature f...				Eur J Med Chem 158: 896-916 (2018) Article DOI: 10.1016/j.ejmech.2018.09.025 BindingDB Entry DOI: 10.7270/Q2DJ5J9D
					More data for this Ligand-Target Pair
Cyclin-K (Homo sapiens (Human))	BDBM50466213 (CHEMBL4290724) Show SMILES N[C@H]1CC[C@H](CNc2cc(-c3csc(NCC4CCOCC4)n3)c(Cl)cn2)CC1 |r,wU:1.0,wD:4.4,(16.22,-18.24,;17.55,-19.02,;18.89,-18.26,;20.22,-19.04,;20.2,-20.58,;21.53,-21.36,;21.52,-22.9,;22.86,-23.68,;24.2,-22.9,;25.53,-23.67,;26.86,-22.89,;26.91,-21.35,;28.39,-20.91,;29.25,-22.2,;30.79,-22.2,;31.56,-20.86,;33.1,-20.86,;33.87,-22.2,;35.41,-22.2,;36.18,-20.86,;35.41,-19.52,;33.87,-19.52,;28.31,-23.41,;25.54,-25.22,;26.87,-25.98,;24.2,-25.98,;22.85,-25.22,;18.87,-21.35,;17.54,-20.56,)| Show InChI InChI=1S/C21H30ClN5OS/c22-18-12-25-20(24-10-14-1-3-16(23)4-2-14)9-17(18)19-13-29-21(27-19)26-11-15-5-7-28-8-6-15/h9,12-16H,1-8,10-11,23H2,(H,24,25)(H,26,27)/t14-,16-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	84	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of CDK9/Cyclin K (unknown origin) using PDKtide as substrate incubated at 37 degreeC for 1 hr followed by incubation at room temperature f...				Eur J Med Chem 158: 896-916 (2018) Article DOI: 10.1016/j.ejmech.2018.09.025 BindingDB Entry DOI: 10.7270/Q2DJ5J9D
					More data for this Ligand-Target Pair
Cyclin-K (Homo sapiens (Human))	BDBM50466239 (CHEMBL4276761) Show SMILES COCCN[C@H]1CC[C@@H](CC1)Nc1cc(-c2csc(NCC3CCOC3)n2)c(Cl)cn1 |r,wU:8.11,wD:5.4,(2.65,-38.86,;3.99,-38.09,;5.32,-38.86,;6.65,-38.09,;7.99,-38.86,;9.32,-38.09,;10.65,-38.86,;11.99,-38.09,;11.99,-36.55,;10.65,-35.78,;9.32,-36.55,;13.32,-35.78,;14.65,-36.55,;15.99,-35.78,;17.32,-36.55,;18.66,-35.78,;18.81,-34.24,;20.33,-33.93,;21.1,-35.26,;22.63,-35.25,;23.4,-36.58,;24.94,-36.58,;25.85,-35.32,;27.31,-35.79,;27.32,-37.33,;25.85,-37.81,;20.06,-36.4,;17.32,-38.09,;18.66,-38.86,;15.99,-38.86,;14.65,-38.09,)| Show InChI InChI=1S/C22H32ClN5O2S/c1-29-9-7-24-16-2-4-17(5-3-16)27-21-10-18(19(23)12-25-21)20-14-31-22(28-20)26-11-15-6-8-30-13-15/h10,12,14-17,24H,2-9,11,13H2,1H3,(H,25,27)(H,26,28)/t15?,16-,17-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	90	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of CDK9/Cyclin K (unknown origin) using PDKtide as substrate incubated at 37 degreeC for 1 hr followed by incubation at room temperature f...				Eur J Med Chem 158: 896-916 (2018) Article DOI: 10.1016/j.ejmech.2018.09.025 BindingDB Entry DOI: 10.7270/Q2DJ5J9D
					More data for this Ligand-Target Pair
Cyclin-K (Homo sapiens (Human))	BDBM50466232 (CHEMBL4288923) Show SMILES COCCN[C@H]1CC[C@@H](CC1)Nc1cc(-c2csc(NCC3C4CC5CC(C4)CC3C5)n2)c(Cl)cn1 |r,TLB:20:21:23:27.25.26,THB:20:21:23.24.30:27.26.28,25:24:21:27.26.28,25:26:23.24.30:21,28:26:23:30.29.21,28:29:23:27.25.26| Show InChI InChI=1S/C28H40ClN5OS/c1-35-7-6-30-21-2-4-22(5-3-21)33-27-13-23(25(29)15-31-27)26-16-36-28(34-26)32-14-24-19-9-17-8-18(11-19)12-20(24)10-17/h13,15-22,24,30H,2-12,14H2,1H3,(H,31,33)(H,32,34)/t17?,18?,19?,20?,21-,22-,24?	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	94	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of CDK9/Cyclin K (unknown origin) using PDKtide as substrate incubated at 37 degreeC for 1 hr followed by incubation at room temperature f...				Eur J Med Chem 158: 896-916 (2018) Article DOI: 10.1016/j.ejmech.2018.09.025 BindingDB Entry DOI: 10.7270/Q2DJ5J9D
					More data for this Ligand-Target Pair
Cyclin-K (Homo sapiens (Human))	BDBM50466220 (CHEMBL4277182) Show SMILES COCCN[C@H]1CC[C@@H](CC1)Nc1cc(-c2csc(NCC3CC3)n2)c(Cl)cn1 |r,wU:8.11,wD:5.4,(50.19,-7.86,;51.52,-7.1,;52.85,-7.86,;54.18,-7.1,;55.52,-7.86,;56.84,-7.1,;58.18,-7.86,;59.51,-7.1,;59.51,-5.56,;58.18,-4.79,;56.84,-5.56,;60.84,-4.79,;62.17,-5.56,;63.51,-4.79,;64.84,-5.56,;66.17,-4.79,;66.33,-3.26,;67.84,-2.94,;68.61,-4.27,;70.14,-4.26,;70.91,-5.59,;72.45,-5.59,;73.78,-6.35,;73.78,-4.81,;67.58,-5.41,;64.84,-7.1,;66.17,-7.86,;63.51,-7.86,;62.17,-7.1,)| Show InChI InChI=1S/C21H30ClN5OS/c1-28-9-8-23-15-4-6-16(7-5-15)26-20-10-17(18(22)12-24-20)19-13-29-21(27-19)25-11-14-2-3-14/h10,12-16,23H,2-9,11H2,1H3,(H,24,26)(H,25,27)/t15-,16-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	96	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of CDK9/Cyclin K (unknown origin) using PDKtide as substrate incubated at 37 degreeC for 1 hr followed by incubation at room temperature f...				Eur J Med Chem 158: 896-916 (2018) Article DOI: 10.1016/j.ejmech.2018.09.025 BindingDB Entry DOI: 10.7270/Q2DJ5J9D
					More data for this Ligand-Target Pair
Cyclin-K (Homo sapiens (Human))	BDBM50466211 (CHEMBL4292333) Show SMILES CNc1nc(cs1)-c1cc(N[C@H]2CC[C@@H](CC2)NCCOC)ncc1Cl |r,wU:11.11,wD:14.18,(24.02,-2.36,;23.11,-3.61,;21.59,-3.45,;20.56,-4.59,;19.15,-3.96,;19.31,-2.43,;20.82,-2.12,;17.82,-4.73,;16.49,-3.96,;15.16,-4.73,;13.82,-3.96,;12.49,-4.73,;12.49,-6.27,;11.16,-7.04,;9.83,-6.27,;9.83,-4.73,;11.16,-3.96,;8.5,-7.04,;7.17,-6.27,;5.83,-7.04,;4.5,-6.27,;3.17,-7.04,;15.16,-6.27,;16.49,-7.04,;17.82,-6.27,;19.15,-7.04,)| Show InChI InChI=1S/C18H26ClN5OS/c1-20-18-24-16(11-26-18)14-9-17(22-10-15(14)19)23-13-5-3-12(4-6-13)21-7-8-25-2/h9-13,21H,3-8H2,1-2H3,(H,20,24)(H,22,23)/t12-,13-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	101	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of CDK9/Cyclin K (unknown origin) using PDKtide as substrate incubated at 37 degreeC for 1 hr followed by incubation at room temperature f...				Eur J Med Chem 158: 896-916 (2018) Article DOI: 10.1016/j.ejmech.2018.09.025 BindingDB Entry DOI: 10.7270/Q2DJ5J9D
					More data for this Ligand-Target Pair
Cyclin-K (Homo sapiens (Human))	BDBM50466229 (CHEMBL4279380) Show SMILES CC(=O)N[C@H]1CC[C@@H](CC1)Nc1cc(-c2csc(NCC3CCOCC3)n2)c(Cl)cn1 |r,wU:4.3,wD:7.10,(19.81,-28.2,;19.8,-29.74,;21.13,-30.52,;18.46,-30.49,;18.45,-32.03,;19.77,-32.82,;19.76,-34.35,;18.42,-35.11,;17.09,-34.34,;17.11,-32.8,;18.41,-36.65,;19.74,-37.43,;21.09,-36.65,;22.42,-37.42,;23.75,-36.64,;23.8,-35.1,;25.27,-34.66,;26.13,-35.95,;27.67,-35.95,;28.45,-34.61,;29.99,-34.61,;30.75,-35.95,;32.29,-35.95,;33.07,-34.61,;32.29,-33.27,;30.75,-33.27,;25.19,-37.16,;22.42,-38.97,;23.76,-39.73,;21.09,-39.73,;19.74,-38.97,)| Show InChI InChI=1S/C22H30ClN5O2S/c1-14(29)26-16-2-4-17(5-3-16)27-21-10-18(19(23)12-24-21)20-13-31-22(28-20)25-11-15-6-8-30-9-7-15/h10,12-13,15-17H,2-9,11H2,1H3,(H,24,27)(H,25,28)(H,26,29)/t16-,17-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	101	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of CDK9/Cyclin K (unknown origin) using PDKtide as substrate incubated at 37 degreeC for 1 hr followed by incubation at room temperature f...				Eur J Med Chem 158: 896-916 (2018) Article DOI: 10.1016/j.ejmech.2018.09.025 BindingDB Entry DOI: 10.7270/Q2DJ5J9D
					More data for this Ligand-Target Pair
Cyclin-K (Homo sapiens (Human))	BDBM50466234 (CHEMBL4285140) Show SMILES COCCN[C@H]1CC[C@@H](CC1)Nc1cc(-c2csc(NCC3CCC3)n2)c(Cl)cn1 |r,wU:8.11,wD:5.4,(1.94,-17.69,;3.27,-16.92,;4.6,-17.69,;5.94,-16.92,;7.28,-17.69,;8.61,-16.92,;9.94,-17.69,;11.27,-16.92,;11.27,-15.38,;9.94,-14.61,;8.61,-15.38,;12.6,-14.61,;13.94,-15.38,;15.28,-14.61,;16.61,-15.38,;17.94,-14.61,;18.1,-13.07,;19.61,-12.76,;20.38,-14.09,;21.91,-14.08,;22.69,-15.42,;24.23,-15.41,;25.32,-16.5,;26.4,-15.4,;25.31,-14.32,;19.35,-15.23,;16.61,-16.92,;17.94,-17.69,;15.28,-17.69,;13.94,-16.92,)| Show InChI InChI=1S/C22H32ClN5OS/c1-29-10-9-24-16-5-7-17(8-6-16)27-21-11-18(19(23)13-25-21)20-14-30-22(28-20)26-12-15-3-2-4-15/h11,13-17,24H,2-10,12H2,1H3,(H,25,27)(H,26,28)/t16-,17-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	107	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of CDK9/Cyclin K (unknown origin) using PDKtide as substrate incubated at 37 degreeC for 1 hr followed by incubation at room temperature f...				Eur J Med Chem 158: 896-916 (2018) Article DOI: 10.1016/j.ejmech.2018.09.025 BindingDB Entry DOI: 10.7270/Q2DJ5J9D
					More data for this Ligand-Target Pair
Cyclin-K (Homo sapiens (Human))	BDBM50466214 (CHEMBL4279156) Show SMILES COCCN[C@H]1CC[C@@H](CC1)Nc1cc(ccn1)-c1csc(NCC2CCOCC2)n1 |r,wU:8.11,wD:5.4,(32.34,-39.21,;32.33,-40.75,;33.66,-41.52,;33.66,-43.06,;34.99,-43.84,;36.33,-43.07,;37.66,-43.85,;39,-43.08,;38.99,-41.55,;37.66,-40.77,;36.33,-41.53,;40.33,-40.78,;41.66,-41.55,;42.99,-40.78,;44.32,-41.54,;44.33,-43.09,;42.99,-43.86,;41.66,-43.09,;45.66,-40.76,;45.71,-39.23,;47.18,-38.79,;48.05,-40.07,;49.59,-40.12,;50.32,-41.48,;51.86,-41.53,;52.57,-42.89,;54.11,-42.95,;54.93,-41.64,;54.2,-40.28,;52.66,-40.23,;47.1,-41.29,)| Show InChI InChI=1S/C23H35N5O2S/c1-29-13-10-24-19-2-4-20(5-3-19)27-22-14-18(6-9-25-22)21-16-31-23(28-21)26-15-17-7-11-30-12-8-17/h6,9,14,16-17,19-20,24H,2-5,7-8,10-13,15H2,1H3,(H,25,27)(H,26,28)/t19-,20-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	114	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of CDK9/Cyclin K (unknown origin) using PDKtide as substrate incubated at 37 degreeC for 1 hr followed by incubation at room temperature f...				Eur J Med Chem 158: 896-916 (2018) Article DOI: 10.1016/j.ejmech.2018.09.025 BindingDB Entry DOI: 10.7270/Q2DJ5J9D
					More data for this Ligand-Target Pair
Cyclin-K (Homo sapiens (Human))	BDBM50538118 (CHEMBL4639504) Show SMILES Cc1ccccc1Nc1nc(Nc2ccc(cn2)N2CCNCC2)ncc1Cl Show InChI InChI=1S/C20H22ClN7/c1-14-4-2-3-5-17(14)25-19-16(21)13-24-20(27-19)26-18-7-6-15(12-23-18)28-10-8-22-9-11-28/h2-7,12-13,22H,8-11H2,1H3,(H2,23,24,25,26,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	114	n/a	n/a	n/a	n/a	n/a	n/a
Anhui Medical University Curated by ChEMBL					Assay Description Inhibition of recombinant human full-length N-terminal GST-tagged CDK9/cyclinK expressed in baculovirus infected Sf9 insect cells using PDKtide as su...				J Med Chem 63: 3327-3347 (2020) Article DOI: 10.1021/acs.jmedchem.9b02121 BindingDB Entry DOI: 10.7270/Q2N87F9B
					More data for this Ligand-Target Pair
Cyclin-K (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	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	137	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human CDK9/cyclin-K using KTFCGTPEYLAPEVRREPRILSEEEQEMFRDFDYIADWC as substrate by [gamma-33P]-ATP assay				Citation and Details Article DOI: 10.1016/j.bmc.2018.02.022 BindingDB Entry DOI: 10.7270/Q2DJ5KB8
					More data for this Ligand-Target Pair
Cyclin-K (Homo sapiens (Human))	BDBM50466228 (CHEMBL4287306) Show SMILES Clc1cnc(N[C@H]2CC[C@@H](CC2)NC(=O)C2CC2)cc1-c1csc(NCC2CCOCC2)n1 |r,wU:9.12,wD:6.5,(23.76,-39.73,;22.42,-38.97,;21.09,-39.73,;19.74,-38.97,;19.74,-37.43,;18.41,-36.65,;18.42,-35.11,;19.76,-34.35,;19.77,-32.82,;18.45,-32.04,;17.11,-32.8,;17.09,-34.34,;18.46,-30.5,;19.8,-29.74,;21.13,-30.52,;19.81,-28.2,;20.59,-26.87,;19.05,-26.86,;21.09,-36.65,;22.42,-37.42,;23.75,-36.64,;23.8,-35.1,;25.27,-34.66,;26.13,-35.95,;27.67,-35.95,;28.45,-34.61,;29.99,-34.61,;30.75,-35.95,;32.29,-35.95,;33.07,-34.61,;32.29,-33.28,;30.75,-33.28,;25.19,-37.16,)| Show InChI InChI=1S/C24H32ClN5O2S/c25-20-13-26-22(28-17-3-5-18(6-4-17)29-23(31)16-1-2-16)11-19(20)21-14-33-24(30-21)27-12-15-7-9-32-10-8-15/h11,13-18H,1-10,12H2,(H,26,28)(H,27,30)(H,29,31)/t17-,18-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of CDK9/Cyclin K (unknown origin) using PDKtide as substrate incubated at 37 degreeC for 1 hr followed by incubation at room temperature f...				Eur J Med Chem 158: 896-916 (2018) Article DOI: 10.1016/j.ejmech.2018.09.025 BindingDB Entry DOI: 10.7270/Q2DJ5J9D
					More data for this Ligand-Target Pair
Cyclin-K (Homo sapiens (Human))	BDBM50538116 (CHEMBL4641351) Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc(Cl)c(Nc3ccccc3C)n2)nc1 Show InChI InChI=1S/C21H24ClN7/c1-15-5-3-4-6-18(15)25-20-17(22)14-24-21(27-20)26-19-8-7-16(13-23-19)29-11-9-28(2)10-12-29/h3-8,13-14H,9-12H2,1-2H3,(H2,23,24,25,26,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	152	n/a	n/a	n/a	n/a	n/a	n/a
Anhui Medical University Curated by ChEMBL					Assay Description Inhibition of recombinant human full-length N-terminal GST-tagged CDK9/cyclinK expressed in baculovirus infected Sf9 insect cells using PDKtide as su...				J Med Chem 63: 3327-3347 (2020) Article DOI: 10.1021/acs.jmedchem.9b02121 BindingDB Entry DOI: 10.7270/Q2N87F9B
					More data for this Ligand-Target Pair
Cyclin-K (Homo sapiens (Human))	BDBM50538123 (CHEMBL4635295) Show SMILES Cc1ccccc1Nc1nc(Nc2ccc(cc2)N2CCN(CC2)C(=O)OC(C)(C)C)ncc1Cl Show InChI InChI=1S/C26H31ClN6O2/c1-18-7-5-6-8-22(18)30-23-21(27)17-28-24(31-23)29-19-9-11-20(12-10-19)32-13-15-33(16-14-32)25(34)35-26(2,3)4/h5-12,17H,13-16H2,1-4H3,(H2,28,29,30,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	176	n/a	n/a	n/a	n/a	n/a	n/a
Anhui Medical University Curated by ChEMBL					Assay Description Inhibition of recombinant human full-length N-terminal GST-tagged CDK9/cyclinK expressed in baculovirus infected Sf9 insect cells using PDKtide as su...				J Med Chem 63: 3327-3347 (2020) Article DOI: 10.1021/acs.jmedchem.9b02121 BindingDB Entry DOI: 10.7270/Q2N87F9B
					More data for this Ligand-Target Pair
Cyclin-K (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	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	214	n/a	n/a	n/a	n/a	n/a	n/a
University of Florida Curated by ChEMBL					Assay Description Inhibition of human CDK9/cyclin-K using KTFCGTPEYLAPEVRREPRILSEEEQEMFRDFDYIADWC as substrate by [gamma-33P]-ATP assay				Eur J Med Chem 161: 456-467 (2019) Article DOI: 10.1016/j.ejmech.2018.10.052 BindingDB Entry DOI: 10.7270/Q2W380MT
					More data for this Ligand-Target Pair
Cyclin-K (Homo sapiens (Human))	BDBM50564790 (CHEMBL4781627) Show SMILES CC(=O)c1c(C)c2ccc(Nc3nccc(n3)-c3cccnc3)cc2oc1=O Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	235	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CDK9/Cyclin K (unknown origin) preincubated for 20 mins followed by ATP addition and measured after 120 mins in presence of [33P-gamma]...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112424 BindingDB Entry DOI: 10.7270/Q2H70KJW
					More data for this Ligand-Target Pair
Cyclin-K (Homo sapiens (Human))	BDBM50466230 (CHEMBL4286229) Show SMILES Clc1cnc(Nc2ccccc2)cc1-c1csc(NCC2CCOCC2)n1 Show InChI InChI=1S/C20H21ClN4OS/c21-17-12-22-19(24-15-4-2-1-3-5-15)10-16(17)18-13-27-20(25-18)23-11-14-6-8-26-9-7-14/h1-5,10,12-14H,6-9,11H2,(H,22,24)(H,23,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	238	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of CDK9/Cyclin K (unknown origin) using PDKtide as substrate incubated at 37 degreeC for 1 hr followed by incubation at room temperature f...				Eur J Med Chem 158: 896-916 (2018) Article DOI: 10.1016/j.ejmech.2018.09.025 BindingDB Entry DOI: 10.7270/Q2DJ5J9D
					More data for this Ligand-Target Pair
Cyclin-K/Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM525760 (US11174252, Compound 447) Show SMILES CC(C)N1CCOc2c(F)cc(cc12)-c1nc(Nc2ccc(cn2)N2CCC(O)CC2)ncc1F Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	243	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description CDK9 (cyclin K): IC50 values of compounds against CDK9 (cyclin K) were determined by LanthaScreen™ Eu Kinase Binding Assay at Invitrogen Life Te...				Citation and Details BindingDB Entry DOI: 10.7270/Q27D2Z99
					More data for this Ligand-Target Pair
Cyclin-K (Homo sapiens (Human))	BDBM50466242 (CHEMBL4289836) Show SMILES COCCN[C@H]1CC[C@@H](CC1)Nc1cc(-c2csc(NCC3CCOCC3)n2)c(C)cn1 |r,wU:8.11,wD:5.4,(60.24,-38.24,;60.24,-39.78,;61.57,-40.56,;61.56,-42.1,;62.89,-42.87,;64.23,-42.11,;65.56,-42.88,;66.91,-42.12,;66.9,-40.58,;65.57,-39.8,;64.24,-40.57,;68.23,-39.81,;69.57,-40.58,;70.89,-39.81,;72.23,-40.58,;73.56,-39.8,;73.61,-38.26,;75.09,-37.83,;75.96,-39.11,;77.49,-39.16,;78.22,-40.52,;79.76,-40.57,;80.48,-41.93,;82.01,-41.98,;82.83,-40.68,;82.11,-39.32,;80.57,-39.26,;75.01,-40.32,;72.23,-42.13,;73.57,-42.89,;70.9,-42.9,;69.56,-42.13,)| Show InChI InChI=1S/C24H37N5O2S/c1-17-14-26-23(28-20-5-3-19(4-6-20)25-9-12-30-2)13-21(17)22-16-32-24(29-22)27-15-18-7-10-31-11-8-18/h13-14,16,18-20,25H,3-12,15H2,1-2H3,(H,26,28)(H,27,29)/t19-,20-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	253	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of CDK9/Cyclin K (unknown origin) using PDKtide as substrate incubated at 37 degreeC for 1 hr followed by incubation at room temperature f...				Eur J Med Chem 158: 896-916 (2018) Article DOI: 10.1016/j.ejmech.2018.09.025 BindingDB Entry DOI: 10.7270/Q2DJ5J9D
					More data for this Ligand-Target Pair
Cyclin-K/Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM525759 (US11174252, Compound 446) Show SMILES CC(C)N1CCOc2c(F)cc(cc12)-c1nc(Nc2ccc(cn2)N2CCOCC2)ncc1F Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	280	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description CDK9 (cyclin K): IC50 values of compounds against CDK9 (cyclin K) were determined by LanthaScreen™ Eu Kinase Binding Assay at Invitrogen Life Te...				Citation and Details BindingDB Entry DOI: 10.7270/Q27D2Z99
					More data for this Ligand-Target Pair
Cyclin-K/Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM50263013 (CHEMBL4079206) Show SMILES CN1CC[C@@H]([C@H](O)C1)c1c(O)cc(O)c2c1oc(\C=C\c1c(Cl)cccc1Cl)cc2=O |r| Show InChI InChI=1S/C23H21Cl2NO5/c1-26-8-7-14(20(30)11-26)21-18(28)10-19(29)22-17(27)9-12(31-23(21)22)5-6-13-15(24)3-2-4-16(13)25/h2-6,9-10,14,20,28-30H,7-8,11H2,1H3/b6-5+/t14-,20+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	412	n/a	n/a	n/a	n/a	n/a	n/a
Medicinal Chemistry Division, CSIR-Indian Institute of Integrative Medicine , Canal Road, Jammu-180001, India. Curated by ChEMBL					Assay Description Inhibition of CDK9/cyclin K (unknown origin) after 30 mins in presence of [33P]-gamma-ATP by filter binding assay				J Med Chem 61: 1664-1687 (2018) Article DOI: 10.1021/acs.jmedchem.7b01765 BindingDB Entry DOI: 10.7270/Q2DV1NC4
					More data for this Ligand-Target Pair

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