Identical Ligands in BindingDB

Found 11 hits Enzyme Inhibition Constant Data   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Cyclin-dependent kinase 2   (298/298 = 100%)† (Homo sapiens (Human))	BDBM91782 (CS260) Show SMILES NS(=O)(=O)c1ccc(NN=C2C(=O)Nc3ccc(cc23)C(O)=O)cc1 |w:9.8| Show InChI InChI=1S/C15H12N4O5S/c16-25(23,24)10-4-2-9(3-5-10)18-19-13-11-7-8(15(21)22)1-6-12(11)17-14(13)20/h1-7,18H,(H,21,22)(H2,16,23,24)(H,17,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PubMed	n/a	n/a	n/a	179	n/a	n/a	n/a	7.5	25
CSAR					Assay Description ITC				CSAR 1: (2012)
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2   (298/298 = 100%)† (Homo sapiens (Human))	BDBM91782 (CS260) Show SMILES NS(=O)(=O)c1ccc(NN=C2C(=O)Nc3ccc(cc23)C(O)=O)cc1 |w:9.8| Show InChI InChI=1S/C15H12N4O5S/c16-25(23,24)10-4-2-9(3-5-10)18-19-13-11-7-8(15(21)22)1-6-12(11)17-14(13)20/h1-7,18H,(H,21,22)(H2,16,23,24)(H,17,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PubMed	n/a	n/a	n/a	99	n/a	n/a	n/a	7.5	25
CSAR					Assay Description OctetRed				CSAR 1: (2012)
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2   (298/298 = 100%)† (Homo sapiens (Human))	BDBM91782 (CS260) Show SMILES NS(=O)(=O)c1ccc(NN=C2C(=O)Nc3ccc(cc23)C(O)=O)cc1 |w:9.8| Show InChI InChI=1S/C15H12N4O5S/c16-25(23,24)10-4-2-9(3-5-10)18-19-13-11-7-8(15(21)22)1-6-12(11)17-14(13)20/h1-7,18H,(H,21,22)(H2,16,23,24)(H,17,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PubMed	n/a	n/a	n/a	419	n/a	n/a	n/a	7.5	25
CSAR					Assay Description Thermofluor				CSAR 1: (2012)
					More data for this Ligand-Target Pair
Cyclin-A2/Cyclin-dependent kinase 2   (298/298 = 100%)† (Homo sapiens (Human))	BDBM91782 (CS260) Show SMILES NS(=O)(=O)c1ccc(NN=C2C(=O)Nc3ccc(cc23)C(O)=O)cc1 |w:9.8| Show InChI InChI=1S/C15H12N4O5S/c16-25(23,24)10-4-2-9(3-5-10)18-19-13-11-7-8(15(21)22)1-6-12(11)17-14(13)20/h1-7,18H,(H,21,22)(H2,16,23,24)(H,17,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PubMed	n/a	n/a	n/a	8	n/a	n/a	n/a	7.5	25
CSAR					Assay Description OctetRed				CSAR 1: (2012)
					More data for this Ligand-Target Pair
Cyclin-A2/Cyclin-dependent kinase 2   (298/298 = 100%)† (Homo sapiens (Human))	BDBM91782 (CS260) Show SMILES NS(=O)(=O)c1ccc(NN=C2C(=O)Nc3ccc(cc23)C(O)=O)cc1 |w:9.8| Show InChI InChI=1S/C15H12N4O5S/c16-25(23,24)10-4-2-9(3-5-10)18-19-13-11-7-8(15(21)22)1-6-12(11)17-14(13)20/h1-7,18H,(H,21,22)(H2,16,23,24)(H,17,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PubMed	n/a	n/a	n/a	334	n/a	n/a	n/a	7.5	25
CSAR					Assay Description ITC				CSAR 1: (2012)
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2   (298/298 = 100%)† (Homo sapiens (Human))	BDBM225323 (CS260) Show SMILES NS(=O)(=O)c1ccc(N\N=C2/C(=O)Nc3ccc(cc23)C(O)=O)cc1 Show InChI InChI=1S/C15H12N4O5S/c16-25(23,24)10-4-2-9(3-5-10)18-19-13-11-7-8(15(21)22)1-6-12(11)17-14(13)20/h1-7,18H,(H,21,22)(H2,16,23,24)(H,17,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	D3R	n/a	n/a	n/a	n/a	n/a	0.0133	n/a	n/a	n/a
D3R					Assay Description OctetRed_Method3				D3R 220: (2015) BindingDB Entry DOI: 10.7270/Q21J98M7
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2   (298/298 = 100%)† (Homo sapiens (Human))	BDBM225323 (CS260) Show SMILES NS(=O)(=O)c1ccc(N\N=C2/C(=O)Nc3ccc(cc23)C(O)=O)cc1 Show InChI InChI=1S/C15H12N4O5S/c16-25(23,24)10-4-2-9(3-5-10)18-19-13-11-7-8(15(21)22)1-6-12(11)17-14(13)20/h1-7,18H,(H,21,22)(H2,16,23,24)(H,17,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	D3R	n/a	n/a	n/a	n/a	n/a	n/a	9.39E+5	n/a	n/a
D3R					Assay Description OctetRed_Method3				D3R 219: (2015) BindingDB Entry DOI: 10.7270/Q25B01BH
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2   (298/298 = 100%)† (Homo sapiens (Human))	BDBM225323 (CS260) Show SMILES NS(=O)(=O)c1ccc(N\N=C2/C(=O)Nc3ccc(cc23)C(O)=O)cc1 Show InChI InChI=1S/C15H12N4O5S/c16-25(23,24)10-4-2-9(3-5-10)18-19-13-11-7-8(15(21)22)1-6-12(11)17-14(13)20/h1-7,18H,(H,21,22)(H2,16,23,24)(H,17,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	D3R	n/a	n/a	n/a	n/a	n/a	0.00600	n/a	n/a	n/a
D3R					Assay Description OctetRed_Method3				D3R 219: (2015) BindingDB Entry DOI: 10.7270/Q25B01BH
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2   (298/298 = 100%)† (Homo sapiens (Human))	BDBM225323 (CS260) Show SMILES NS(=O)(=O)c1ccc(N\N=C2/C(=O)Nc3ccc(cc23)C(O)=O)cc1 Show InChI InChI=1S/C15H12N4O5S/c16-25(23,24)10-4-2-9(3-5-10)18-19-13-11-7-8(15(21)22)1-6-12(11)17-14(13)20/h1-7,18H,(H,21,22)(H2,16,23,24)(H,17,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	D3R	n/a	n/a	n/a	98.6	n/a	n/a	n/a	n/a	n/a
D3R					Assay Description OctetRed_Method1				D3R 220: (2015) BindingDB Entry DOI: 10.7270/Q21J98M7
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2   (298/298 = 100%)† (Homo sapiens (Human))	BDBM225323 (CS260) Show SMILES NS(=O)(=O)c1ccc(N\N=C2/C(=O)Nc3ccc(cc23)C(O)=O)cc1 Show InChI InChI=1S/C15H12N4O5S/c16-25(23,24)10-4-2-9(3-5-10)18-19-13-11-7-8(15(21)22)1-6-12(11)17-14(13)20/h1-7,18H,(H,21,22)(H2,16,23,24)(H,17,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	D3R	n/a	n/a	n/a	n/a	n/a	n/a	1.32E+5	n/a	n/a
D3R					Assay Description OctetRed_Method3				D3R 220: (2015) BindingDB Entry DOI: 10.7270/Q21J98M7
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2   (298/298 = 100%)† (Homo sapiens (Human))	BDBM225323 (CS260) Show SMILES NS(=O)(=O)c1ccc(N\N=C2/C(=O)Nc3ccc(cc23)C(O)=O)cc1 Show InChI InChI=1S/C15H12N4O5S/c16-25(23,24)10-4-2-9(3-5-10)18-19-13-11-7-8(15(21)22)1-6-12(11)17-14(13)20/h1-7,18H,(H,21,22)(H2,16,23,24)(H,17,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	D3R	n/a	n/a	n/a	8.43	n/a	n/a	n/a	n/a	n/a
D3R					Assay Description OctetRed_Method2				D3R 219: (2015) BindingDB Entry DOI: 10.7270/Q25B01BH
					More data for this Ligand-Target Pair

Identical Ligands in BindingDB

Found 3 hits Isothermal Titration Calorimetry Data

Cell (A)	Syringe (B)	Cell Links	Syringe Links	Cell + Syr Links	ΔG° kJ/mole	-TΔS° kJ/mole	ΔH° kJ/mole	log K	pH	Temp °C
Cyclin-dependent kinase 2  (298/298 = 100%)† (Homo sapiens (Human))	BDBM225323 (CS260)	DrugBank GoogleScholar KEGG PDB	PC cid PC sid PDB		-39	6.29	-44.8	6.84	n/a	24.9
D3R					D3R 220: (2015)
Cyclin-dependent kinase 2  (298/298 = 100%)† (Homo sapiens (Human))	BDBM225323 (CS260)	DrugBank GoogleScholar KEGG PDB	PC cid PC sid PDB		-37.1	1.34	-38.4	6.50	n/a	24.9
D3R					D3R 219: (2015)
Cyclin-dependent kinase 2  (298/298 = 100%)† (Homo sapiens (Human))	BDBM225323 (CS260)	DrugBank GoogleScholar KEGG PDB	PC cid PC sid PDB		-33.7	-19.5	-14.2	5.91	n/a	24.9
D3R					D3R 220: (2015)

Similar Ligands in BindingDB^*

Found 3 hits Isothermal Titration Calorimetry Data

Cell (A)	Syringe (B)	Cell Links	Syringe Links	Cell + Syr Links	ΔG° kJ/mole	-TΔS° kJ/mole	ΔH° kJ/mole	log K	pH	Temp °C
Cyclin-dependent kinase 2  (298/298 = 100%)† (Homo sapiens (Human))	BDBM225323 (CS260)	DrugBank GoogleScholar KEGG PDB	PC cid PC sid PDB		-39	6.29	-44.8	6.84	n/a	24.9
D3R					D3R 220: (2015)
Cyclin-dependent kinase 2  (298/298 = 100%)† (Homo sapiens (Human))	BDBM225323 (CS260)	DrugBank GoogleScholar KEGG PDB	PC cid PC sid PDB		-37.1	1.34	-38.4	6.50	n/a	24.9
D3R					D3R 219: (2015)
Cyclin-dependent kinase 2  (298/298 = 100%)† (Homo sapiens (Human))	BDBM225323 (CS260)	DrugBank GoogleScholar KEGG PDB	PC cid PC sid PDB		-33.7	-19.5	-14.2	5.91	n/a	24.9
D3R					D3R 220: (2015)

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