Affinity Data by PDB ID

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PDB code 2CLX

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	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
CDK2/Cyclin A/Cyclin A1 (298/298 = 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 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar	MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	6.90E+4	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 CDK2/Cyclin A (174 to 432 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
University of Oxford Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
CDK2/CycE (298/298 = 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 Show InChI	PDB UniProtKB/SwissProt GoogleScholar	MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	2.00E+4	n/a	n/a	n/a	n/a	7.2	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
Palacky University					More data for this Ligand-Target Pair				3D Structure (crystal)
Cyclin-dependent kinase 2 (298/298 = 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 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	2.00E+4	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)
Cyclin-Dependent Kinase 2 (CDK2) (298/298 = 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 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	6.90E+4	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
Palacky University					More data for this Ligand-Target Pair				3D Structure (crystal)

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_* indicates data uncertainty>20%
* 0.9 Tanimoto similarity
† Identities from BLAST output