Identical Ligands in BindingDB

Found 4 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-T1/Cyclin-dependent kinase 9   (255/258 = 99%)† (Homo sapiens (Human))	BDBM12028 (4-Arylazo-3,5-diamino-1H-pyrazole 31b | 4-[(E)-2-(...) Show SMILES Nc1n[nH]c(N)c1N=Nc1ccc(O)cc1 |w:8.9| Show InChI InChI=1S/C9H10N6O/c10-8-7(9(11)15-14-8)13-12-5-1-3-6(16)4-2-5/h1-4,16H,(H5,10,11,14,15)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	350	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of CDK9/Cyclin T (1 to 330 amino acid residues) (unknown origin) by differential scanning fluorimetry assay				J Med Chem 56: 660-70 (2013) Article DOI: 10.1021/jm301495v BindingDB Entry DOI: 10.7270/Q28G8N18
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cyclin-dependent kinase 9   (329/329 = 100%)† (Homo sapiens (Human))	BDBM50352019 (CHEMBL1823556) Show SMILES Nc1n[nH]c(N)c1N=Nc1ccc(O)cc1 |w:7.7| Show InChI InChI=1S/C9H10N6O/c10-8-7(9(11)15-14-8)13-12-5-1-3-6(16)4-2-5/h1-4,16H,(H5,10,11,14,15)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	350	n/a	n/a	n/a	n/a	n/a	n/a
Palack£ University& Institute of Experimental Botany ASCR Curated by ChEMBL					Assay Description Inhibition of CDK9 by [33P]gamma-ATP incorporation assay				Eur J Med Chem 46: 4289-94 (2011) Article DOI: 10.1016/j.ejmech.2011.06.035 BindingDB Entry DOI: 10.7270/Q22J6C7Q
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cyclin-T1/Cyclin-dependent kinase 9   (255/258 = 99%)† (Homo sapiens (Human))	BDBM12028 (4-Arylazo-3,5-diamino-1H-pyrazole 31b | 4-[(E)-2-(...) Show SMILES Nc1n[nH]c(N)c1N=Nc1ccc(O)cc1 |w:8.9| Show InChI InChI=1S/C9H10N6O/c10-8-7(9(11)15-14-8)13-12-5-1-3-6(16)4-2-5/h1-4,16H,(H5,10,11,14,15)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	350	n/a	n/a	n/a	n/a	n/a	30
Palacky University					Assay Description In vitro CDK assay using purified enzyme, was incubated at 30 °C with substrate, and test compounds in the presence of ATP/ [gamma-32P] ATP. 32P...				J Med Chem 49: 6500-9 (2006) Article DOI: 10.1021/jm0605740 BindingDB Entry DOI: 10.7270/Q2M61HHK
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cyclin-dependent kinase 9   (329/329 = 100%)† (Homo sapiens (Human))	BDBM12028 (4-Arylazo-3,5-diamino-1H-pyrazole 31b | 4-[(E)-2-(...) Show SMILES Nc1n[nH]c(N)c1N=Nc1ccc(O)cc1 |w:8.9| Show InChI InChI=1S/C9H10N6O/c10-8-7(9(11)15-14-8)13-12-5-1-3-6(16)4-2-5/h1-4,16H,(H5,10,11,14,15)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	350	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Experimental Botany ASCR and Palacky University					Assay Description Cyclin-dependent kinase selectivity was evaluated using CDK1-cyclin B, CDK2-cyclin E, CDK4-cyclin D1, CDK7-cyclin H, and CDK9-cyclin T1.				Chem Biol Drug Des 84: 402-8 (2014) Article DOI: 10.1111/cbdd.12330 BindingDB Entry DOI: 10.7270/Q28C9TXB
					More data for this Ligand-Target Pair				3D Structure (crystal)

• Reorder this table by ec50
• Reorder this table by ic50
• Reorder this table by Kd
• Reorder this table by pH
• Reorder this table by T
• Reorder this table by ΔH°
• Reorder this table by -TΔS°
• Change energy units to:  kcal/mole

Search BindingMOAD for More Affinity Data: