Compile Data Set for Download or QSAR

Found 97 hits with Last Name = 'jain' and Initial = 'sk'   

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-T1/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 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	1.90	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 T1 (unknown origin) using YSPTSPSYSPTSPSYSPTSPKKK as substrate after 30 mins in presence of [33P]-gamma-ATP by filter bindi...				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
Cyclin-T1/Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM384362 (US9932327, Compound 33) Show SMILES CN1CCC(C(O)C1)c1c(O)cc(O)c2c1oc(\C=C\c1c(Cl)cccc1Cl)cc2=O 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+	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	2	n/a	n/a	n/a	n/a	n/a	n/a
Universita degli Studi di Firenze					Assay Description CDK-9/Cyclin T1 (5-20 mU diluted in 50 mM Tris pH 7.5, 0.1 mM EGTA, 1 mg/ml BSA, 0.1% mercaptoethanol) was assayed against a substrate peptide (YSPTS...				Bioorg Med Chem Lett 18: 2567-73 (2008) BindingDB Entry DOI: 10.7270/Q25Q4ZDW
					More data for this Ligand-Target Pair
Cyclin-A2/Cyclin-dependent kinase 1 (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 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	4.90	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 CDK1/cyclin A (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
Cytochrome P450 1A1 (Homo sapiens (Human))	BDBM50014323 (2-PHENYL-4H-BENZO[H]CHROMEN-4-ONE | 2-Phenyl-benzo...) Show SMILES O=c1cc(oc2c3ccccc3ccc12)-c1ccccc1 Show InChI InChI=1S/C19H12O2/c20-17-12-18(14-7-2-1-3-8-14)21-19-15-9-5-4-6-13(15)10-11-16(17)19/h1-12H	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
CSIR-Indian Institute of Integrative Medicine Curated by ChEMBL					Assay Description Inhibition of recombinant human CYP1A1 expressed in yeast microsomal membranes by fluorescence assay				Bioorg Med Chem Lett 27: 5400-5403 (2017) Article DOI: 10.1016/j.bmcl.2017.11.013 BindingDB Entry DOI: 10.7270/Q2GF0X2H
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cyclin-T1/Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM50263041 (CHEMBL4103469) Show SMILES CN1CC[C@@H]([C@H](O)C1)c1c(O)cc(O)c2c1oc(\C=C\c1c(F)c(F)c(F)c(F)c1F)cc2=O |r| Show InChI InChI=1S/C23H18F5NO5/c1-29-5-4-10(15(33)8-29)16-13(31)7-14(32)17-12(30)6-9(34-23(16)17)2-3-11-18(24)20(26)22(28)21(27)19(11)25/h2-3,6-7,10,15,31-33H,4-5,8H2,1H3/b3-2+/t10-,15+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	12	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 T1 (unknown origin) using YSPTSPSYSPTSPSYSPTSPKKK as substrate after 30 mins in presence of [33P]-gamma-ATP by filter bindi...				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
Cyclin-T1/Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM384375 (US9932327, Compound 34) Show SMILES CN1CCC(C(O)C1)c1c(O)cc(O)c2c1oc(\C=C\c1c(F)c(F)c(F)c(F)c1F)cc2=O Show InChI InChI=1S/C23H18F5NO5/c1-29-5-4-10(15(33)8-29)16-13(31)7-14(32)17-12(30)6-9(34-23(16)17)2-3-11-18(24)20(26)22(28)21(27)19(11)25/h2-3,6-7,10,15,31-33H,4-5,8H2,1H3/b3-2+	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	12	n/a	n/a	n/a	n/a	n/a	n/a
Universita degli Studi di Firenze					Assay Description CDK-9/Cyclin T1 (5-20 mU diluted in 50 mM Tris pH 7.5, 0.1 mM EGTA, 1 mg/ml BSA, 0.1% mercaptoethanol) was assayed against a substrate peptide (YSPTS...				Bioorg Med Chem Lett 18: 2567-73 (2008) BindingDB Entry DOI: 10.7270/Q25Q4ZDW
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM24226 (1-[(4-fluorophenyl)methyl]-N-{1-[2-(4-methoxypheny...) Show SMILES COc1ccc(CCN2CCC(CC2)Nc2nc3ccccc3n2Cc2ccc(F)cc2)cc1 Show InChI InChI=1S/C28H31FN4O/c1-34-25-12-8-21(9-13-25)14-17-32-18-15-24(16-19-32)30-28-31-26-4-2-3-5-27(26)33(28)20-22-6-10-23(29)11-7-22/h2-13,24H,14-20H2,1H3,(H,30,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	14	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 [3H]-astemizole binding to human ERG expressed in HEK293 cell membranes by scintillation counting method				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
Cyclin-A2/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM384362 (US9932327, Compound 33) Show SMILES CN1CCC(C(O)C1)c1c(O)cc(O)c2c1oc(\C=C\c1c(Cl)cccc1Cl)cc2=O 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+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Universita degli Studi di Firenze					Assay Description CDK-2/cyclin A (5-20 mU diluted in 50 mM Hepes pH 7.5, 1 mM DTT, 0.02% Brij35, 100 mM NaCl) was assayed against Histone H1 in a final volume of 25.5 ...				Bioorg Med Chem Lett 18: 2567-73 (2008) BindingDB Entry DOI: 10.7270/Q25Q4ZDW
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 5 activator 1 (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 MMDB NCI pathway 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	16	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 CDK5/cyclin p25 (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
Cyclin-A2/Cyclin-dependent kinase 2 (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 MMDB NCI pathway 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	16	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 CDK2/cyclin A (unknown origin) using histone H1 as substrate 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
Cyclin-dependent kinase 5 activator 1 (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 MMDB NCI pathway 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	16	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 CDK5/cyclin p35 (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
Cyclin-T1/Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM384357 (US9932327, Compound Flavopiridol) Show SMILES CN1CCC(C(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	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	US Patent	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Universita degli Studi di Firenze					Assay Description CDK-9/Cyclin T1 (5-20 mU diluted in 50 mM Tris pH 7.5, 0.1 mM EGTA, 1 mg/ml BSA, 0.1% mercaptoethanol) was assayed against a substrate peptide (YSPTS...				Bioorg Med Chem Lett 18: 2567-73 (2008) BindingDB Entry DOI: 10.7270/Q25Q4ZDW
					More data for this Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM50193086 (CHEMBL3969723) Show SMILES CN1CC[C@H]([C@@H]1CO)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1Cl |r| Show InChI InChI=1S/C21H20ClNO5/c1-23-7-6-12(14(23)10-24)19-15(25)8-16(26)20-17(27)9-18(28-21(19)20)11-4-2-3-5-13(11)22/h2-5,8-9,12,14,24-26H,6-7,10H2,1H3/t12-,14+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Medicinal Chemistry Division, CSIR-Indian Institute of Integrative Medicine , Canal Road, Jammu-180001, India. Curated by ChEMBL					Assay Description Inhibition of full length recombinant C-terminal 6His-tagged human Cdk9/full-length human Cyclin T1 after 60 mins in presence of [33P]-gamma-ATP by f...				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
Cyclin-T1/Cyclin-dependent kinase 9 (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	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB Article PubMed	n/a	n/a	20	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 T1 (unknown origin)				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				3D Structure (crystal)
Cyclin-dependent kinase 4/G1/S-specific cyclin-D3 (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 MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	23	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 CDK4/cyclin D3 (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
Cyclin-T1/Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM50263027 (CHEMBL4066369) Show SMILES CN1CC[C@@H]([C@H](O)C1)c1c(O)cc(O)c2c1oc(\C=C\c1cccc(F)c1)cc2=O |r| Show InChI InChI=1S/C23H22FNO5/c1-25-8-7-16(20(29)12-25)21-18(27)11-19(28)22-17(26)10-15(30-23(21)22)6-5-13-3-2-4-14(24)9-13/h2-6,9-11,16,20,27-29H,7-8,12H2,1H3/b6-5+/t16-,20+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	29	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 T1 (unknown origin) using YSPTSPSYSPTSPSYSPTSPKKK as substrate after 30 mins in presence of [33P]-gamma-ATP by filter bindi...				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
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM50014323 (2-PHENYL-4H-BENZO[H]CHROMEN-4-ONE | 2-Phenyl-benzo...) Show SMILES O=c1cc(oc2c3ccccc3ccc12)-c1ccccc1 Show InChI InChI=1S/C19H12O2/c20-17-12-18(14-7-2-1-3-8-14)21-19-15-9-5-4-6-13(15)10-11-16(17)19/h1-12H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
CSIR-Indian Institute of Integrative Medicine Curated by ChEMBL					Assay Description Inhibition of recombinant human CYP1A2 expressed in yeast microsomal membranes by fluorescence assay				Bioorg Med Chem Lett 27: 5400-5403 (2017) Article DOI: 10.1016/j.bmcl.2017.11.013 BindingDB Entry DOI: 10.7270/Q2GF0X2H
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cyclin-T1/Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM384376 (US9932327, Compound 35) Show SMILES CN1CCC(C(O)C1)c1c(O)cc(O)c2c1oc(\C=C\c1cccc(F)c1)cc2=O Show InChI InChI=1S/C23H22FNO5/c1-25-8-7-16(20(29)12-25)21-18(27)11-19(28)22-17(26)10-15(30-23(21)22)6-5-13-3-2-4-14(24)9-13/h2-6,9-11,16,20,27-29H,7-8,12H2,1H3/b6-5+	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	30	n/a	n/a	n/a	n/a	n/a	n/a
Universita degli Studi di Firenze					Assay Description CDK-9/Cyclin T1 (5-20 mU diluted in 50 mM Tris pH 7.5, 0.1 mM EGTA, 1 mg/ml BSA, 0.1% mercaptoethanol) was assayed against a substrate peptide (YSPTS...				Bioorg Med Chem Lett 18: 2567-73 (2008) BindingDB Entry DOI: 10.7270/Q25Q4ZDW
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 6/G1/S-specific cyclin-D1 (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 antibodypedia antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	45	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 CDK6/cyclin D1 (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
Cytochrome P450 1B1 (Homo sapiens (Human))	BDBM50014323 (2-PHENYL-4H-BENZO[H]CHROMEN-4-ONE | 2-Phenyl-benzo...) Show SMILES O=c1cc(oc2c3ccccc3ccc12)-c1ccccc1 Show InChI InChI=1S/C19H12O2/c20-17-12-18(14-7-2-1-3-8-14)21-19-15-9-5-4-6-13(15)10-11-16(17)19/h1-12H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
CSIR-Indian Institute of Integrative Medicine Curated by ChEMBL					Assay Description Inhibition of human CYP1B1 expressed in yeast microsomal membranes using 7-ethoxyresorufin as substrate by fluorescence assay				Bioorg Med Chem Lett 27: 5400-5403 (2017) Article DOI: 10.1016/j.bmcl.2017.11.013 BindingDB Entry DOI: 10.7270/Q2GF0X2H
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1 (Homo sapiens (Human))	BDBM50193086 (CHEMBL3969723) Show SMILES CN1CC[C@H]([C@@H]1CO)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1Cl |r| Show InChI InChI=1S/C21H20ClNO5/c1-23-7-6-12(14(23)10-24)19-15(25)8-16(26)20-17(27)9-18(28-21(19)20)11-4-2-3-5-13(11)22/h2-5,8-9,12,14,24-26H,6-7,10H2,1H3/t12-,14+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	63	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 human GST-tagged CDK4/cyclin D1 expressed in baculovirus infected insect Sf9 cells after 30 mins in presence of [32P]-gamma-ATP by scin...				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
Cyclin-T1/Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM50263011 (CHEMBL4100359) Show SMILES CN1CC[C@@H]([C@H](O)C1)c1c(O)cc(O)c2c1oc(\C=C\c1ccccc1)cc2=O |r| Show InChI InChI=1S/C23H23NO5/c1-24-10-9-16(20(28)13-24)21-18(26)12-19(27)22-17(25)11-15(29-23(21)22)8-7-14-5-3-2-4-6-14/h2-8,11-12,16,20,26-28H,9-10,13H2,1H3/b8-7+/t16-,20+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	66	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 T1 (unknown origin) using YSPTSPSYSPTSPSYSPTSPKKK as substrate after 30 mins in presence of [33P]-gamma-ATP by filter bindi...				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
Cyclin-dependent kinase/G1/S-specific cyclin- 1 (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 Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	76	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 CDK1/cyclin E (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
Cyclin-O/Cyclin-dependent kinase 2 (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 UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	138	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 CDK2/cyclin O (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
Cyclin-T1/Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM50263045 (CHEMBL4074270) Show SMILES CN1CC[C@@H]([C@H](O)C1)c1c(O)cc(O)c2c1oc(\C=C\c1ccccc1Cl)cc2=O |r| Show InChI InChI=1S/C23H22ClNO5/c1-25-9-8-15(20(29)12-25)21-18(27)11-19(28)22-17(26)10-14(30-23(21)22)7-6-13-4-2-3-5-16(13)24/h2-7,10-11,15,20,27-29H,8-9,12H2,1H3/b7-6+/t15-,20+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	160	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 T1 (unknown origin) using YSPTSPSYSPTSPSYSPTSPKKK as substrate after 30 mins in presence of [33P]-gamma-ATP by filter bindi...				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
Cyclin-A2/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM384357 (US9932327, Compound Flavopiridol) Show SMILES CN1CCC(C(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	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	US Patent	n/a	n/a	170	n/a	n/a	n/a	n/a	n/a	n/a
Universita degli Studi di Firenze					Assay Description CDK-2/cyclin A (5-20 mU diluted in 50 mM Hepes pH 7.5, 1 mM DTT, 0.02% Brij35, 100 mM NaCl) was assayed against Histone H1 in a final volume of 25.5 ...				Bioorg Med Chem Lett 18: 2567-73 (2008) BindingDB Entry DOI: 10.7270/Q25Q4ZDW
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 6/G1/S-specific cyclin-D3 (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 UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	199	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 CDK6/cyclin D3 (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
Cyclin-T1/Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM50263030 (CHEMBL4094775) Show SMILES CN1CC[C@@H]([C@H](O)C1)c1c(O)cc(O)c2c1oc(\C=C\c1ccccc1F)cc2=O |r| Show InChI InChI=1S/C23H22FNO5/c1-25-9-8-15(20(29)12-25)21-18(27)11-19(28)22-17(26)10-14(30-23(21)22)7-6-13-4-2-3-5-16(13)24/h2-7,10-11,15,20,27-29H,8-9,12H2,1H3/b7-6+/t15-,20+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	260	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 T1 (unknown origin) using YSPTSPSYSPTSPSYSPTSPKKK as substrate after 30 mins in presence of [33P]-gamma-ATP by filter bindi...				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
Cyclin-T1/Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM50263012 (CHEMBL4065874) Show SMILES CN1CC[C@@H]([C@H](O)C1)c1c(O)cc(O)c2c1oc(\C=C\c1cccc(Cl)c1)cc2=O |r| Show InChI InChI=1S/C23H22ClNO5/c1-25-8-7-16(20(29)12-25)21-18(27)11-19(28)22-17(26)10-15(30-23(21)22)6-5-13-3-2-4-14(24)9-13/h2-6,9-11,16,20,27-29H,7-8,12H2,1H3/b6-5+/t16-,20+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	280	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 T1 (unknown origin) using YSPTSPSYSPTSPSYSPTSPKKK as substrate after 30 mins in presence of [33P]-gamma-ATP by filter bindi...				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
Cyclin-T1/Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM50189885 (Rohitukine) Show SMILES CN1CC[C@@H]([C@H](O)C1)c1c(O)cc(O)c2c1oc(C)cc2=O |r| Show InChI InChI=1S/C16H19NO5/c1-8-5-10(18)15-12(20)6-11(19)14(16(15)22-8)9-3-4-17(2)7-13(9)21/h5-6,9,13,19-21H,3-4,7H2,1-2H3/t9-,13+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	300	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 T1 (unknown origin) using YSPTSPSYSPTSPSYSPTSPKKK as substrate after 30 mins in presence of [33P]-gamma-ATP by filter bindi...				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
Cyclin-T1/Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM50189885 (Rohitukine) Show SMILES CN1CC[C@@H]([C@H](O)C1)c1c(O)cc(O)c2c1oc(C)cc2=O |r| Show InChI InChI=1S/C16H19NO5/c1-8-5-10(18)15-12(20)6-11(19)14(16(15)22-8)9-3-4-17(2)7-13(9)21/h5-6,9,13,19-21H,3-4,7H2,1-2H3/t9-,13+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
India; Academy of Scientific& Innovative Research (AcSIR) Curated by ChEMBL					Assay Description Inhibition of human Cdk9/T1 using YSPTSPSYSPTSPSYSPTSPKKK peptide as substrate after 30 mins by 33P-ATP filter-binding assay				Bioorg Med Chem Lett 26: 3457-63 (2016) Article DOI: 10.1016/j.bmcl.2016.06.046 BindingDB Entry DOI: 10.7270/Q2M90BMH
					More data for this Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM50263031 (CHEMBL4105395) Show SMILES CN1CC[C@@H]([C@H](O)C1)c1c(O)cc(O)c2c1oc(\C=C\c1ccc(Cl)cc1)cc2=O |r| Show InChI InChI=1S/C23H22ClNO5/c1-25-9-8-16(20(29)12-25)21-18(27)11-19(28)22-17(26)10-15(30-23(21)22)7-4-13-2-5-14(24)6-3-13/h2-7,10-11,16,20,27-29H,8-9,12H2,1H3/b7-4+/t16-,20+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	310	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 T1 (unknown origin) using YSPTSPSYSPTSPSYSPTSPKKK as substrate after 30 mins in presence of [33P]-gamma-ATP by filter bindi...				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
Cyclin-T1/Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM50263014 (CHEMBL4087077) Show SMILES CN1CC[C@@H]([C@H](O)C1)c1c(O)cc(O)c2c1oc(\C=C\c1c3ccccc3cc3ccccc13)cc2=O |r| Show InChI InChI=1S/C31H27NO5/c1-32-13-12-24(28(36)17-32)29-26(34)16-27(35)30-25(33)15-20(37-31(29)30)10-11-23-21-8-4-2-6-18(21)14-19-7-3-5-9-22(19)23/h2-11,14-16,24,28,34-36H,12-13,17H2,1H3/b11-10+/t24-,28+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	350	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 T1 (unknown origin) using YSPTSPSYSPTSPSYSPTSPKKK as substrate after 30 mins in presence of [33P]-gamma-ATP by filter bindi...				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
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
Cyclin-A2/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM384376 (US9932327, Compound 35) Show SMILES CN1CCC(C(O)C1)c1c(O)cc(O)c2c1oc(\C=C\c1cccc(F)c1)cc2=O Show InChI InChI=1S/C23H22FNO5/c1-25-8-7-16(20(29)12-25)21-18(27)11-19(28)22-17(26)10-15(30-23(21)22)6-5-13-3-2-4-14(24)9-13/h2-6,9-11,16,20,27-29H,7-8,12H2,1H3/b6-5+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	466	n/a	n/a	n/a	n/a	n/a	n/a
Universita degli Studi di Firenze					Assay Description CDK-2/cyclin A (5-20 mU diluted in 50 mM Hepes pH 7.5, 1 mM DTT, 0.02% Brij35, 100 mM NaCl) was assayed against Histone H1 in a final volume of 25.5 ...				Bioorg Med Chem Lett 18: 2567-73 (2008) BindingDB Entry DOI: 10.7270/Q25Q4ZDW
					More data for this Ligand-Target Pair
Cyclin-A2/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50263027 (CHEMBL4066369) Show SMILES CN1CC[C@@H]([C@H](O)C1)c1c(O)cc(O)c2c1oc(\C=C\c1cccc(F)c1)cc2=O |r| Show InChI InChI=1S/C23H22FNO5/c1-25-8-7-16(20(29)12-25)21-18(27)11-19(28)22-17(26)10-15(30-23(21)22)6-5-13-3-2-4-14(24)9-13/h2-6,9-11,16,20,27-29H,7-8,12H2,1H3/b6-5+/t16-,20+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	466	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 CDK2/cyclin A (unknown origin) using histone H1 as substrate 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
Cyclin-T1/Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM384315 (US9932327, Compound Rohitukine (1)) Show SMILES CN1CCC(C(O)C1)c1c(O)cc(O)c2c1oc(C)cc2=O Show InChI InChI=1S/C16H19NO5/c1-8-5-10(18)15-12(20)6-11(19)14(16(15)22-8)9-3-4-17(2)7-13(9)21/h5-6,9,13,19-21H,3-4,7H2,1-2H3	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	550	n/a	n/a	n/a	n/a	n/a	n/a
Universita degli Studi di Firenze					Assay Description CDK-9/Cyclin T1 (5-20 mU diluted in 50 mM Tris pH 7.5, 0.1 mM EGTA, 1 mg/ml BSA, 0.1% mercaptoethanol) was assayed against a substrate peptide (YSPTS...				Bioorg Med Chem Lett 18: 2567-73 (2008) BindingDB Entry DOI: 10.7270/Q25Q4ZDW
					More data for this Ligand-Target Pair
Cyclin-A2/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM384375 (US9932327, Compound 34) Show SMILES CN1CCC(C(O)C1)c1c(O)cc(O)c2c1oc(\C=C\c1c(F)c(F)c(F)c(F)c1F)cc2=O Show InChI InChI=1S/C23H18F5NO5/c1-29-5-4-10(15(33)8-29)16-13(31)7-14(32)17-12(30)6-9(34-23(16)17)2-3-11-18(24)20(26)22(28)21(27)19(11)25/h2-3,6-7,10,15,31-33H,4-5,8H2,1H3/b3-2+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	608	n/a	n/a	n/a	n/a	n/a	n/a
Universita degli Studi di Firenze					Assay Description CDK-2/cyclin A (5-20 mU diluted in 50 mM Hepes pH 7.5, 1 mM DTT, 0.02% Brij35, 100 mM NaCl) was assayed against Histone H1 in a final volume of 25.5 ...				Bioorg Med Chem Lett 18: 2567-73 (2008) BindingDB Entry DOI: 10.7270/Q25Q4ZDW
					More data for this Ligand-Target Pair
Cyclin-A2/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50263041 (CHEMBL4103469) Show SMILES CN1CC[C@@H]([C@H](O)C1)c1c(O)cc(O)c2c1oc(\C=C\c1c(F)c(F)c(F)c(F)c1F)cc2=O |r| Show InChI InChI=1S/C23H18F5NO5/c1-29-5-4-10(15(33)8-29)16-13(31)7-14(32)17-12(30)6-9(34-23(16)17)2-3-11-18(24)20(26)22(28)21(27)19(11)25/h2-3,6-7,10,15,31-33H,4-5,8H2,1H3/b3-2+/t10-,15+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	608	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 CDK2/cyclin A (unknown origin) using histone H1 as substrate 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
Cyclin-H/Cyclin-dependent kinase 7 (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 MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	711	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 CDK7/cyclin H (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
Cyclin-A2/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50263011 (CHEMBL4100359) Show SMILES CN1CC[C@@H]([C@H](O)C1)c1c(O)cc(O)c2c1oc(\C=C\c1ccccc1)cc2=O |r| Show InChI InChI=1S/C23H23NO5/c1-24-10-9-16(20(28)13-24)21-18(26)12-19(27)22-17(25)11-15(29-23(21)22)8-7-14-5-3-2-4-6-14/h2-8,11-12,16,20,26-28H,9-10,13H2,1H3/b8-7+/t16-,20+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	925	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 CDK2/cyclin A (unknown origin) using histone H1 as substrate 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
Cyclin-dependent kinase 3/G1/S-specific cyclin-E1 (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 UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+3	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 CDK3/cyclin E (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
Cytochrome P450 1B1 (Homo sapiens (Human))	BDBM7460 (2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-chrome...) Show SMILES Oc1cc(O)c2c(c1)oc(-c1ccc(O)c(O)c1)c(O)c2=O Show InChI InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
CSIR-Indian Institute of Integrative Medicine Curated by ChEMBL					Assay Description Inhibition of human CYP1B1 expressed in yeast microsomal membranes using 7-ethoxyresorufin as substrate by fluorescence assay				Bioorg Med Chem Lett 27: 5400-5403 (2017) Article DOI: 10.1016/j.bmcl.2017.11.013 BindingDB Entry DOI: 10.7270/Q2GF0X2H
					More data for this Ligand-Target Pair
Cyclin-A2/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50263045 (CHEMBL4074270) Show SMILES CN1CC[C@@H]([C@H](O)C1)c1c(O)cc(O)c2c1oc(\C=C\c1ccccc1Cl)cc2=O |r| Show InChI InChI=1S/C23H22ClNO5/c1-25-9-8-15(20(29)12-25)21-18(27)11-19(28)22-17(26)10-14(30-23(21)22)7-6-13-4-2-3-5-16(13)24/h2-7,10-11,15,20,27-29H,8-9,12H2,1H3/b7-6+/t15-,20+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.41E+3	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 CDK2/cyclin A (unknown origin) using histone H1 as substrate 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
Cyclin-A2/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50263030 (CHEMBL4094775) Show SMILES CN1CC[C@@H]([C@H](O)C1)c1c(O)cc(O)c2c1oc(\C=C\c1ccccc1F)cc2=O |r| Show InChI InChI=1S/C23H22FNO5/c1-25-9-8-15(20(29)12-25)21-18(27)11-19(28)22-17(26)10-14(30-23(21)22)7-6-13-4-2-3-5-16(13)24/h2-7,10-11,15,20,27-29H,8-9,12H2,1H3/b7-6+/t15-,20+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.52E+3	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 CDK2/cyclin A (unknown origin) using histone H1 as substrate 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
Cyclin-A2/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50263014 (CHEMBL4087077) Show SMILES CN1CC[C@@H]([C@H](O)C1)c1c(O)cc(O)c2c1oc(\C=C\c1c3ccccc3cc3ccccc13)cc2=O |r| Show InChI InChI=1S/C31H27NO5/c1-32-13-12-24(28(36)17-32)29-26(34)16-27(35)30-25(33)15-20(37-31(29)30)10-11-23-21-8-4-2-6-18(21)14-19-7-3-5-9-22(19)23/h2-11,14-16,24,28,34-36H,12-13,17H2,1H3/b11-10+/t24-,28+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.80E+3	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 CDK2/cyclin A (unknown origin) using histone H1 as substrate 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
Cytochrome P450 1B1 (Homo sapiens (Human))	BDBM7460 (2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-chrome...) Show SMILES Oc1cc(O)c2c(c1)oc(-c1ccc(O)c(O)c1)c(O)c2=O Show InChI InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	2.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
CSIR-Indian Institute of Integrative Medicine Curated by ChEMBL					Assay Description Inhibition of human CYP1B1 expressed in HEK293 cells by fluorescence assay				Bioorg Med Chem Lett 27: 5400-5403 (2017) Article DOI: 10.1016/j.bmcl.2017.11.013 BindingDB Entry DOI: 10.7270/Q2GF0X2H
					More data for this Ligand-Target Pair
Cytochrome P450 1B1 (Homo sapiens (Human))	BDBM7460 (2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-chrome...) Show SMILES Oc1cc(O)c2c(c1)oc(-c1ccc(O)c(O)c1)c(O)c2=O Show InChI InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	2.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
CSIR-Indian Institute of Integrative Medicine Curated by ChEMBL					Assay Description Inhibition of human CYP1B1 expressed in MDA-MB-468 cells assessed as cell toxicity				Bioorg Med Chem Lett 27: 5400-5403 (2017) Article DOI: 10.1016/j.bmcl.2017.11.013 BindingDB Entry DOI: 10.7270/Q2GF0X2H
					More data for this Ligand-Target Pair
Cyclin-A2/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50263012 (CHEMBL4065874) Show SMILES CN1CC[C@@H]([C@H](O)C1)c1c(O)cc(O)c2c1oc(\C=C\c1cccc(Cl)c1)cc2=O |r| Show InChI InChI=1S/C23H22ClNO5/c1-25-8-7-16(20(29)12-25)21-18(27)11-19(28)22-17(26)10-15(30-23(21)22)6-5-13-3-2-4-14(24)9-13/h2-6,9-11,16,20,27-29H,7-8,12H2,1H3/b6-5+/t16-,20+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.00E+3	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 CDK2/cyclin A (unknown origin) using histone H1 as substrate 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
Cyclin-A2/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50263031 (CHEMBL4105395) Show SMILES CN1CC[C@@H]([C@H](O)C1)c1c(O)cc(O)c2c1oc(\C=C\c1ccc(Cl)cc1)cc2=O |r| Show InChI InChI=1S/C23H22ClNO5/c1-25-9-8-16(20(29)12-25)21-18(27)11-19(28)22-17(26)10-15(30-23(21)22)7-4-13-2-5-14(24)6-3-13/h2-7,10-11,16,20,27-29H,8-9,12H2,1H3/b7-4+/t16-,20+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.30E+3	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 CDK2/cyclin A (unknown origin) using histone H1 as substrate 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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