Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 379.4 BDBM50238880

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 2 hits in this display   

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
Dual specificity protein kinase CLK1 (Homo sapiens (Human))	BDBM50238880 (CHEMBL4086890) Show SMILES C[C@@H](c1ccc(C)cc1)n1nnc2cnc3ccc(cc3c12)-c1ccnc(C)c1 |r| Show InChI InChI=1S/C24H21N5/c1-15-4-6-18(7-5-15)17(3)29-24-21-13-19(20-10-11-25-16(2)12-20)8-9-22(21)26-14-23(24)27-28-29/h4-14,17H,1-3H3/t17-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	173	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University and Collaborative Innovation Center for Biotherapy Curated by ChEMBL					Assay Description Inhibition of recombinant human CLK1 expressed in insect cells using ERMRPRKRQGSVRRRV peptide as substrate after 40 mins in presence of [gamma-33P]-A...				J Med Chem 60: 6337-6352 (2017) Article DOI: 10.1021/acs.jmedchem.7b00665 BindingDB Entry DOI: 10.7270/Q2ZW1P55
					More data for this Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A (Homo sapiens (Human))	BDBM50238880 (CHEMBL4086890) Show SMILES C[C@@H](c1ccc(C)cc1)n1nnc2cnc3ccc(cc3c12)-c1ccnc(C)c1 |r| Show InChI InChI=1S/C24H21N5/c1-15-4-6-18(7-5-15)17(3)29-24-21-13-19(20-10-11-25-16(2)12-20)8-9-22(21)26-14-23(24)27-28-29/h4-14,17H,1-3H3/t17-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.34E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University and Collaborative Innovation Center for Biotherapy Curated by ChEMBL					Assay Description Inhibition of recombinant human DYRK1A expressed in insect cells using RRRFRPASPLRGPPK peptide as substrate after 40 mins in presence of [gamma-33P]-...				J Med Chem 60: 6337-6352 (2017) Article DOI: 10.1021/acs.jmedchem.7b00665 BindingDB Entry DOI: 10.7270/Q2ZW1P55
					More data for this Ligand-Target Pair