Identical Ligands in BindingDB

Found 3 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 5 activator 1 [99-307]   (291/292 > 99%)† (Homo sapiens (Human))	BDBM7377 (4-{7-butyl-5H-pyrrolo[2,3-b]pyrazin-6-yl}phenol | ...) Show SMILES CCCCc1c([nH]c2nccnc12)-c1ccc(O)cc1 Show InChI InChI=1S/C16H17N3O/c1-2-3-4-13-14(11-5-7-12(20)8-6-11)19-16-15(13)17-9-10-18-16/h5-10,20H,2-4H2,1H3,(H,18,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank 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	200	n/a	n/a	n/a	n/a	n/a	30
Faculte de Medecine et de Pharmacie					Assay Description Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 °C in the presence of 15 uM ATP/ [gamma-32P] ATP. 32...				J Med Chem 46: 222-36 (2003) Article DOI: 10.1021/jm020319p BindingDB Entry DOI: 10.7270/Q2474820
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cyclin-dependent kinase 5   (291/292 > 99%)† (Homo sapiens (Human))	BDBM7377 (4-{7-butyl-5H-pyrrolo[2,3-b]pyrazin-6-yl}phenol | ...) Show SMILES CCCCc1c([nH]c2nccnc12)-c1ccc(O)cc1 Show InChI InChI=1S/C16H17N3O/c1-2-3-4-13-14(11-5-7-12(20)8-6-11)19-16-15(13)17-9-10-18-16/h5-10,20H,2-4H2,1H3,(H,18,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank 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	200	n/a	n/a	n/a	n/a	n/a	n/a
CNRS USR-3151 Curated by ChEMBL					Assay Description Inhibition of GST-fused recombinant CDK5/p25 expressed in Escherichia coli after 30 mins by scintillation counting				Bioorg Med Chem 17: 5572-82 (2009) Article DOI: 10.1016/j.bmc.2009.06.024 BindingDB Entry DOI: 10.7270/Q22J6BWT
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cyclin-dependent kinase 5 activator 1   (291/292 > 99%)† (Homo sapiens (Human))	BDBM7377 (4-{7-butyl-5H-pyrrolo[2,3-b]pyrazin-6-yl}phenol | ...) Show SMILES CCCCc1c([nH]c2nccnc12)-c1ccc(O)cc1 Show InChI InChI=1S/C16H17N3O/c1-2-3-4-13-14(11-5-7-12(20)8-6-11)19-16-15(13)17-9-10-18-16/h5-10,20H,2-4H2,1H3,(H,18,19)	PDB MMDB NCI pathway 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	200	n/a	n/a	n/a	n/a	n/a	n/a
European Institute of Oncology Curated by ChEMBL					Assay Description Inhibition of cyclin-dependent kinase 5/p25; range 0.16-0.2				J Med Chem 48: 671-9 (2005) Article DOI: 10.1021/jm049323m BindingDB Entry DOI: 10.7270/Q2MP52S4
					More data for this Ligand-Target Pair				3D Structure (crystal)

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