Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 495.5 BDBM629275

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

Found 4 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
Casein kinase I isoform alpha (Homo sapiens (Human))	BDBM629275 (N-{4-[7-(cyclopropylmethyl)-5-fluoro-3-(pyridin-2-...) Show SMILES Fc1ccc(CC(=O)Nc2cc(ccn2)-c2[nH]c3c(CC4CC4)cc(F)nc3c2-c2ccccn2)cc1 Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Casein kinase I isoform delta (Homo sapiens (Human))	BDBM629275 (N-{4-[7-(cyclopropylmethyl)-5-fluoro-3-(pyridin-2-...) Show SMILES Fc1ccc(CC(=O)Nc2cc(ccn2)-c2[nH]c3c(CC4CC4)cc(F)nc3c2-c2ccccn2)cc1 Show InChI	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	5.76	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Casein kinase I isoform alpha (Homo sapiens (Human))	BDBM629275 (N-{4-[7-(cyclopropylmethyl)-5-fluoro-3-(pyridin-2-...) Show SMILES Fc1ccc(CC(=O)Nc2cc(ccn2)-c2[nH]c3c(CC4CC4)cc(F)nc3c2-c2ccccn2)cc1 Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	9.53	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM629275 (N-{4-[7-(cyclopropylmethyl)-5-fluoro-3-(pyridin-2-...) Show SMILES Fc1ccc(CC(=O)Nc2cc(ccn2)-c2[nH]c3c(CC4CC4)cc(F)nc3c2-c2ccccn2)cc1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair