Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 388.5 BDBM50324287

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
Serine/threonine-protein kinase D1 (Homo sapiens (Human))	BDBM50324287 (CHEMBL1215570 | Cyclohexyl-[4-(8-piperazin-1-yl[1,...) Show SMILES C1CCC(CC1)Nc1cc(ccn1)-c1cc2cccnc2c(n1)N1CCNCC1 Show InChI InChI=1S/C23H28N6/c1-2-6-19(7-3-1)27-21-16-17(8-10-25-21)20-15-18-5-4-9-26-22(18)23(28-20)29-13-11-24-12-14-29/h4-5,8-10,15-16,19,24H,1-3,6-7,11-14H2,(H,25,27)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	695	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of PKD1 by TR-FRET assay				J Med Chem 53: 5400-21 (2010) Article DOI: 10.1021/jm100075z BindingDB Entry DOI: 10.7270/Q2T153T9
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase D1 (Homo sapiens (Human))	BDBM50324287 (CHEMBL1215570 | Cyclohexyl-[4-(8-piperazin-1-yl[1,...) Show SMILES C1CCC(CC1)Nc1cc(ccn1)-c1cc2cccnc2c(n1)N1CCNCC1 Show InChI InChI=1S/C23H28N6/c1-2-6-19(7-3-1)27-21-16-17(8-10-25-21)20-15-18-5-4-9-26-22(18)23(28-20)29-13-11-24-12-14-29/h4-5,8-10,15-16,19,24H,1-3,6-7,11-14H2,(H,25,27)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of PKD1 assessed as HDAC5 neuclear export				J Med Chem 53: 5400-21 (2010) Article DOI: 10.1021/jm100075z BindingDB Entry DOI: 10.7270/Q2T153T9
					More data for this Ligand-Target Pair