Compile Data Set for Download or QSAR

Found 3311 hits of ic50 for UniProtKB: P50750   

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-T1/Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM50454441 (CHEMBL4217448) Show SMILES COc1ccc(F)c(F)c1-c1ccnc(Nc2ccc(cc2)S(=O)(=O)Nc2nnc(C)s2)n1 Show InChI InChI=1S/C20H16F2N6O3S2/c1-11-26-27-20(32-11)28-33(29,30)13-5-3-12(4-6-13)24-19-23-10-9-15(25-19)17-16(31-2)8-7-14(21)18(17)22/h3-10H,1-2H3,(H,27,28)(H,23,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
Semmelweis University Curated by ChEMBL					Assay Description Inhibition of N-terminal GST-HIS6 fusion protein tagged human full length CDK9 (M1 to F372 residues)/N-terminal GST-HIS6 fusion protein tagged human ...				Bioorg Med Chem Lett 28: 769-773 (2018) Article DOI: 10.1016/j.bmcl.2018.01.002 BindingDB Entry DOI: 10.7270/Q20867XN
					More data for this Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM605617 (US11673893, Example 86) Show SMILES Cn1nc2c(F)cc(cc2c1C(C)(C)O)-c1cc(NC(=O)[C@H]2CCC[C@H](C2)NC(=O)CC#N)ncc1Cl |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	0.406	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2J38XHJ
					More data for this Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM605531 ((1S,3R)-N-(5-chloro-4-(7-fluoro-3-isopropyl-2-meth...) Show SMILES CNC(=O)N[C@@H]1CCC[C@@H](C1)C(=O)Nc1cc(c(Cl)cn1)-c1cc(F)c2nn(C)c(C(C)C)c2c1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	0.416	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2J38XHJ
					More data for this Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM605532 ((1S,3R)-N-(5-chloro-4-(7-fluoro-3-isopropyl-2-meth...) Show SMILES CC(C)c1n(C)nc2c(F)cc(cc12)-c1cc(NC(=O)[C@H]2CCC[C@H](C2)NC(=O)N(C)C)ncc1Cl |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	0.455	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2J38XHJ
					More data for this Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM605523 ((1S,3R)-N-[5-chloro-4-(7-fluoro-3-isopropyl-2-meth...) Show SMILES CC(C)c1n(C)nc2c(F)cc(cc12)-c1cc(NC(=O)[C@H]2CCC[C@H](C2)NC(=O)C2(O)CC2)ncc1Cl |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	0.477	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2J38XHJ
					More data for this Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM605596 (US11673893, Example 65) Show SMILES CC(C)c1n(C)nc2c(F)cc(cc12)-c1cc(NC(=O)[C@H]2CCC[C@H](C2)NC(=O)CC#N)ncc1Cl |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	0.480	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2J38XHJ
					More data for this Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM605534 ((1S,3R)-N-(5-chloro-4-(7-fluoro-3-isopropyl-2-meth...) Show SMILES CONC(=O)N[C@@H]1CCC[C@@H](C1)C(=O)Nc1cc(c(Cl)cn1)-c1cc(F)c2nn(C)c(C(C)C)c2c1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	0.489	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2J38XHJ
					More data for this Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM605533 ((1S,3R)-N-(5-chloro-4-(7-fluoro-3-isopropyl-2-meth...) Show SMILES CCNC(=O)N[C@@H]1CCC[C@@H](C1)C(=O)Nc1cc(c(Cl)cn1)-c1cc(F)c2nn(C)c(C(C)C)c2c1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	0.498	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2J38XHJ
					More data for this Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM50553495 (CHEMBL4786559) 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,(4.26,-18.37,;5.59,-17.61,;6.92,-18.38,;8.26,-17.62,;8.26,-16.08,;9.59,-18.39,;10.93,-17.63,;12.26,-18.4,;13.6,-17.63,;13.59,-16.1,;12.26,-15.32,;10.93,-16.09,;14.93,-15.33,;16.26,-16.1,;17.59,-15.33,;18.93,-16.09,;18.93,-17.64,;20.27,-18.41,;17.59,-18.42,;16.26,-17.65,;20.25,-15.32,;20.24,-13.79,;21.57,-13.01,;22.91,-13.77,;22.92,-15.32,;24.25,-16.08,;25.59,-15.31,;26.92,-16.07,;25.58,-16.83,;25.57,-18.36,;26.9,-19.14,;28.24,-18.38,;28.25,-16.84,;28.25,-15.3,;29.58,-14.52,;21.59,-16.09,)| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<0.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of Alexa Fluor 647 ADP Tracer from His-tagged human CDK9/Cyclin T1 expressed in baculovirus expression system incubated for 1 hr by adap...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00744 BindingDB Entry DOI: 10.7270/Q2FB56K3
					More data for this Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM642569 (US20230416221, Compound 96) Show SMILES CC(=O)N[C@@H]1CCC[C@@H](C1)C(=O)Nc1cc(c(Cl)cn1)-c1ccc2C(=O)NCC(C)(C)c2c1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	0.520	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM605526 ((1S,3R)-N-(5-chloro-4-(7-fluoro-3-isopropyl-2-meth...) Show SMILES COCC(=O)N[C@@H]1CCC[C@@H](C1)C(=O)Nc1cc(c(Cl)cn1)-c1cc(F)c2nn(C)c(C(C)C)c2c1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	0.528	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2J38XHJ
					More data for this Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM605551 ((1S,3R)-3-acetamido-N-(4-(4-fluoro-1-isopropyl-1H-...) Show SMILES CC(C)n1cnc2c(F)cc(cc12)-c1cc(NC(=O)[C@H]2CC[C@H](C2)NC(C)=O)ncc1C |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	0.539	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2J38XHJ
					More data for this Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM7533 ((2R)-2-[[6-(benzylamino)-9-isopropyl-purin-2-yl]am...) Show SMILES CC[C@H](CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1 |r| Show InChI InChI=1S/C19H26N6O/c1-4-15(11-26)22-19-23-17(20-10-14-8-6-5-7-9-14)16-18(24-19)25(12-21-16)13(2)3/h5-9,12-13,15,26H,4,10-11H2,1-3H3,(H2,20,22,23,24)/t15-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>0.600	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c02064 BindingDB Entry DOI: 10.7270/Q2SB49QV
					More data for this Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM605549 ((1S,3R)-3-acetamido-N-(4-(4-fluoro-1-isopropyl-1H-...) Show SMILES CC(C)n1cnc2c(F)cc(cc12)-c1cc(NC(=O)[C@H]2CCC[C@H](C2)NC(C)=O)ncc1C |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	0.694	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2J38XHJ
					More data for this Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM605525 ((1S,3R)-N-(5-chloro-4-(7-fluoro-3-isopropyl-2-meth...) Show SMILES CC(C)c1n(C)nc2c(F)cc(cc12)-c1cc(NC(=O)[C@H]2CCC[C@H](C2)NC(=O)Cc2cscn2)ncc1Cl |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	0.699	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2J38XHJ
					More data for this Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM50564820 (CHEMBL4785212) Show SMILES CCC(=O)c1c(N2CCOCC2)c2ccc(Nc3ncc(F)c(n3)-c3ccc(F)cc3OC)cc2oc1=O Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CDK9/Cyclin T1 (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-T1/Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM605573 (US11673893, Example 45) Show SMILES CC(C)n1cnc2c(F)cc(cc12)-c1cc(NC(=O)[C@H]2CCC[C@H](C2)NC(=O)N2CCOCC2)ncc1C |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	0.743	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2J38XHJ
					More data for this Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM605529 (N-[(1R,3S)-3-[[5-chloro-4-(7-fluoro-3-isopropyl-2-...) Show SMILES CC(C)c1n(C)nc2c(F)cc(cc12)-c1cc(NC(=O)[C@H]2CCC[C@H](C2)NC(=O)N2CCOCC2)ncc1Cl |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	0.760	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2J38XHJ
					More data for this Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM605606 (US11673893, Example 76-1) Show SMILES Cc1cnc(NC(=O)[C@H]2CCC[C@H](C2)NC(=O)CC#N)cc1-c1cc(F)c2nn(C)c(c2c1)[C@@](C)(O)C(F)(F)F |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	0.780	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2J38XHJ
					More data for this Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM605528 ((1S,3R)-N-[5-chloro-4-(7-fluoro-3-isopropyl-2-meth...) Show SMILES CC(C)c1n(C)nc2c(F)cc(cc12)-c1cc(NC(=O)[C@H]2CCC[C@H](C2)NS(C)(=O)=O)ncc1Cl |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	0.794	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2J38XHJ
					More data for this Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM605581 (US11673893, Example 53) Show SMILES CC(=O)N[C@@H]1CCC[C@@H](C1)C(=O)Nc1cc(c(Cl)cn1)-c1cc(F)c2nn(C)c(c2c1)C(C)(C)O |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	0.820	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2J38XHJ
					More data for this Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM605618 (US11673893, Example 87) Show SMILES CC(C)n1cnc2c(F)cc(cc12)-c1cc(NC(=O)[C@H]2CCC[C@H](C2)NC(C)=O)ncc1Cl |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	0.837	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2J38XHJ
					More data for this Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM642551 (US20230416221, Compound 27) Show SMILES CC1(C)CNC(=O)c2ccc(cc12)-c1ccnc(Nc2cccc(CS(N)(=O)=O)c2)n1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	0.890	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM642572 (US20230416221, Compound 104) Show SMILES CC1(C)CNC(=O)c2ccc(cc12)-c1ccnc(N[C@@H]2CCCN(C2)S(C)(=O)=O)n1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM605604 (US11673893, Example 74) Show SMILES CC(=O)N[C@@H]1CCC[C@@H](C1)C(=O)Nc1cc(c(Cl)cn1)-c1cc(F)c2nn(C)c(c2c1)C(C)(O)C(F)(F)F |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	0.938	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2J38XHJ
					More data for this Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM605592 (US11673893, Example 62) Show SMILES CC(C)c1n(C)nc2c(F)cc(cc12)-c1cc(NC(=O)[C@H]2CCC[C@H](C2)NC(=O)[C@@H]2C[C@H](O)C2)ncc1C |r,wD:20.21,24.28,29.31,31.34,(-1.26,4.59,;-2.29,3.44,;-1.82,1.98,;-3.8,3.76,;-4.43,5.17,;-3.66,6.51,;-5.96,5.01,;-6.28,3.5,;-7.61,2.73,;-8.95,3.5,;-7.61,1.19,;-6.28,.42,;-4.94,1.19,;-4.94,2.73,;-6.28,-1.12,;-4.94,-1.89,;-4.94,-3.43,;-3.61,-4.2,;-2.28,-3.43,;-2.28,-1.89,;-.94,-4.2,;-.94,-5.74,;.39,-6.51,;1.72,-5.74,;1.72,-4.2,;.39,-3.43,;3.06,-3.43,;4.39,-4.2,;4.39,-5.74,;5.73,-3.43,;6.12,-1.94,;7.61,-2.34,;8.95,-1.57,;7.21,-3.82,;-6.28,-4.2,;-7.61,-3.43,;-7.66,-1.86,;-8.99,-1.09,)| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	0.961	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2J38XHJ
					More data for this Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM605571 (US11673893, Example 43) Show SMILES CC(C)n1cnc2c(F)cc(cc12)-c1cc(NC(=O)[C@H]2CCC[C@H](C2)NC(=O)N2CC[C@H](O)C2)ncc1C |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	0.979	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2J38XHJ
					More data for this Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM605530 (N-((1R,3S)-3-((5-chloro-4-(7-fluoro-3-isopropyl-2-...) Show SMILES CC(C)c1n(C)nc2c(F)cc(cc12)-c1cc(NC(=O)[C@H]2CCC[C@H](C2)NC(=O)N2CCN(C)CC2)ncc1Cl |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	0.980	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2J38XHJ
					More data for this Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM605572 (US11673893, Example 44) Show SMILES CNC(=O)N[C@@H]1CCC[C@@H](C1)C(=O)Nc1cc(c(C)cn1)-c1cc(F)c2ncn(C(C)C)c2c1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	0.984	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2J38XHJ
					More data for this Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM601953 (2'-((4-(piperazine-1- carbonyl)phenyl)amino)-7',8'...) Show SMILES O=C(N1CCNCC1)c1ccc(Nc2ncc3cc4C(=O)NCC5(CCCCC5)n4c3n2)cc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2VX0MGD
					More data for this Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM187124 (US9670161, 5 N-{6-(Difluoromethyl)-4-[(methylsulfo...) Show SMILES COc1cc(F)ccc1-c1cc(Nc2cc(CS(C)(=O)=O)cc(n2)C(F)F)ncc1F Show InChI InChI=1S/C20H17F4N3O3S/c1-30-17-7-12(21)3-4-13(17)14-8-18(25-9-15(14)22)27-19-6-11(10-31(2,28)29)5-16(26-19)20(23)24/h3-9,20H,10H2,1-2H3,(H,25,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	8.0	n/a
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description Recombinant full-length His-tagged human CDK9 and CycT1, expressed in insect cells and purified by Ni-NTA affinity chromatography, were purchase from...				US Patent US9670161 (2017) BindingDB Entry DOI: 10.7270/Q29G5K05
					More data for this Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM50193093 (RGB-286638) Show SMILES COCCN1CCN(Cc2ccc(cc2)-c2n[nH]c3-c4cccc(NC(=O)NN5CCOCC5)c4C(=O)c23)CC1 Show InChI InChI=1S/C29H35N7O4/c1-39-16-13-34-9-11-35(12-10-34)19-20-5-7-21(8-6-20)26-25-27(32-31-26)22-3-2-4-23(24(22)28(25)37)30-29(38)33-36-14-17-40-18-15-36/h2-8H,9-19H2,1H3,(H,31,32)(H2,30,33,38)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
University of Nebraska Medical Center Curated by ChEMBL					Assay Description Inhibition of CDK9/cyclin T1 (unknown origin)				J Med Chem 59: 8667-8684 (2016) Article DOI: 10.1021/acs.jmedchem.6b00150 BindingDB Entry DOI: 10.7270/Q2G73GP8
					More data for this Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM50193103 (CHEMBL3957795) Show SMILES CS(=O)(=O)Cc1cccc(Nc2ncnc(n2)-c2ccc(F)cc2OCc2ccnc(F)c2)c1 Show InChI InChI=1S/C23H19F2N5O3S/c1-34(31,32)13-16-3-2-4-18(9-16)29-23-28-14-27-22(30-23)19-6-5-17(24)11-20(19)33-12-15-7-8-26-21(25)10-15/h2-11,14H,12-13H2,1H3,(H,27,28,29,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
University of Nebraska Medical Center Curated by ChEMBL					Assay Description Inhibition of human recombinant full length His-tagged CDK9/cyclin T1 expressed in insect cells using biotin-Ttds-YISPLKSPYKISEG as substrate preincu...				J Med Chem 59: 8667-8684 (2016) Article DOI: 10.1021/acs.jmedchem.6b00150 BindingDB Entry DOI: 10.7270/Q2G73GP8
					More data for this Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM50193096 (CHEMBL3977324) Show SMILES Fc1ccc(nc1NCC1CCOCC1)-c1cc(NC(=O)[C@@H]2CCCNC2)ncc1Cl |r| Show InChI InChI=1S/C22H27ClFN5O2/c23-17-13-26-20(29-22(30)15-2-1-7-25-12-15)10-16(17)19-4-3-18(24)21(28-19)27-11-14-5-8-31-9-6-14/h3-4,10,13-15,25H,1-2,5-9,11-12H2,(H,27,28)(H,26,29,30)/t15-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
University of Nebraska Medical Center Curated by ChEMBL					Assay Description Inhibition of CDK9/cyclin T1 (unknown origin) using cdk7tide peptide as substrate				J Med Chem 59: 8667-8684 (2016) Article DOI: 10.1021/acs.jmedchem.6b00150 BindingDB Entry DOI: 10.7270/Q2G73GP8
					More data for this Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM50454379 (CHEMBL4205123) Show SMILES COc1ccc(F)c(F)c1-c1ccnc(Nc2ccc(cc2)S(=O)(=O)Nc2onc(C)c2C)n1 Show InChI InChI=1S/C22H19F2N5O4S/c1-12-13(2)28-33-21(12)29-34(30,31)15-6-4-14(5-7-15)26-22-25-11-10-17(27-22)19-18(32-3)9-8-16(23)20(19)24/h4-11,29H,1-3H3,(H,25,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Semmelweis University Curated by ChEMBL					Assay Description Inhibition of N-terminal GST-HIS6 fusion protein tagged human full length CDK9 (M1 to F372 residues)/N-terminal GST-HIS6 fusion protein tagged human ...				Bioorg Med Chem Lett 28: 769-773 (2018) Article DOI: 10.1016/j.bmcl.2018.01.002 BindingDB Entry DOI: 10.7270/Q20867XN
					More data for this Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9 (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 Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of recombinant full length His-tagged human CDK9/CyclinT1 expressed in baculovirus expression system				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-T1/Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM50454411 (CHEMBL4209151) Show SMILES COc1cccc(F)c1-c1ccnc(Nc2ccc(cc2)S(=O)(=O)Nc2onc(C)c2C)n1 Show InChI InChI=1S/C22H20FN5O4S/c1-13-14(2)27-32-21(13)28-33(29,30)16-9-7-15(8-10-16)25-22-24-12-11-18(26-22)20-17(23)5-4-6-19(20)31-3/h4-12,28H,1-3H3,(H,24,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Semmelweis University Curated by ChEMBL					Assay Description Inhibition of N-terminal GST-HIS6 fusion protein tagged human full length CDK9 (M1 to F372 residues)/N-terminal GST-HIS6 fusion protein tagged human ...				Bioorg Med Chem Lett 28: 769-773 (2018) Article DOI: 10.1016/j.bmcl.2018.01.002 BindingDB Entry DOI: 10.7270/Q20867XN
					More data for this Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM50553494 (CHEMBL4764625) Show SMILES Cc1cc(CS(C)(=O)=O)cc(Nc2ncc(F)c(n2)-c2ccc(F)c3ccoc23)c1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of His-tagged human CDK9/cyclin T1 expressed in insect cells using biotin Ttds-YISPLKSPYKISEG as substrate preincubated for 15 mins follow...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00744 BindingDB Entry DOI: 10.7270/Q2FB56K3
					More data for this Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM642552 (US20230416221, Compound 28) Show SMILES CC1(C)CNC(=O)c2ccc(cc12)-c1ccnc(Nc2cccc(CS(C)(=O)=O)c2)n1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM605558 (US11673893, Example 30) Show SMILES CC(C)C(=O)N[C@@H]1CCC[C@@H](C1)C(=O)Nc1cc(c(C)cn1)-c1cc(F)c2ncn(C(C)C)c2c1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	1.01	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2J38XHJ
					More data for this Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM605527 ((1S,3R)-N-(5-chloro-4-(7-fluoro-3-isopropyl-2-meth...) Show SMILES CCC(=O)N[C@@H]1CCC[C@@H](C1)C(=O)Nc1cc(c(Cl)cn1)-c1cc(F)c2nn(C)c(C(C)C)c2c1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	1.04	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2J38XHJ
					More data for this Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM642548 (US20230416221, Compound 20) Show SMILES COCCN[C@H]1CCC(CC1)Nc1ncc(F)c(n1)-c1ccc2C(=O)NC(C)(C)c2c1 |r,wD:5.4,(6,-5.59,;4.67,-4.82,;3.33,-5.59,;2,-4.82,;.67,-5.59,;-.67,-4.82,;-.67,-3.28,;-2,-2.51,;-3.33,-3.28,;-3.33,-4.82,;-2,-5.59,;-4.67,-2.51,;-4.67,-.97,;-6,-.2,;-6,1.34,;-4.67,2.11,;-4.67,3.65,;-3.33,1.34,;-3.33,-.2,;-2,2.11,;-2,3.65,;-.67,4.42,;.67,3.65,;2.13,4.13,;2.61,5.59,;3.04,2.88,;2.13,1.63,;2.61,.17,;3.62,1.24,;.67,2.11,;-.67,1.34,)| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	1.04	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM605563 (US11673893, Example 35) Show SMILES CC(C)n1cnc2c(F)cc(cc12)-c1cc(NC(=O)[C@H]2CCC[C@H](C2)NC(=O)C2(F)CC2)ncc1C |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	1.04	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2J38XHJ
					More data for this Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM605611 (US11673893, Example 80) Show SMILES CC(C)n1cnc2c(F)cc(cc12)-c1cc(NC(=O)[C@H]2CCC[C@H](C2)NC(=O)CC#N)ncc1C |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	1.09	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2J38XHJ
					More data for this Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM50598065 (CHEMBL5208459) Show SMILES CCN1C(=O)COc2c(CN3CCOCC3)cc(Nc3ncc(F)c(n3)-c3ccc(F)cc3OC)cc12 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114461 BindingDB Entry DOI: 10.7270/Q2154N2X
					More data for this Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM50564818 (CHEMBL4779614) Show SMILES CCN1CCN(CC1)c1c(C(C)=O)c(=O)oc2cc(Nc3ncc(F)c(n3)-c3ccc(F)cc3OC)ccc12 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CDK9/Cyclin T1 (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-T1/Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM50573963 (CHEMBL4876233) Show SMILES CC(C)c1n(C)nc2ccc(cc12)-c1ccnc(Nc2ccc3c(NCCN(C)C)ncnc3c2)n1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human CDK9/cyclin-T1 using KTFCGTPEYLAPEVRREPRILSEEEQEMFRDFDYIADWC as substrate incubated for 2 hrs by [gamma-33P]-ATP assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00271 BindingDB Entry DOI: 10.7270/Q2ZG6X2G
					More data for this Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM605559 (US11673893, Example 31) Show SMILES COCC(=O)N[C@@H]1CCC[C@@H](C1)C(=O)Nc1cc(c(C)cn1)-c1cc(F)c2ncn(C(C)C)c2c1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	1.29	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2J38XHJ
					More data for this Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM605564 (US11673893, Example 36) Show SMILES CC(C)n1cnc2c(F)cc(cc12)-c1cc(NC(=O)[C@H]2CCC[C@H](C2)NC(=O)C2(O)CC2)ncc1C |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	1.37	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2J38XHJ
					More data for this Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM605605 (US11673893, Example 75) Show SMILES CC(=O)N[C@@H]1CCC[C@@H](C1)C(=O)Nc1cc(c(Cl)cn1)-c1cc(F)c2nn(C)c(c2c1)C(C)(O)C(F)F |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	1.38	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2J38XHJ
					More data for this Ligand-Target Pair

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