BDBM50499279 CHEMBL3735890

SMILES: COc1ccc2C(=O)\C(Oc2c1C(C)N1CCNCC1)=C\c1n[nH]c2ncccc12

InChI Key: InChIKey=YMZURUFTCLYPGO-PDGQHHTCSA-N

Data: 4 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50499279   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Death-associated protein kinase 1 (Homo sapiens (Human))	BDBM50499279 (CHEMBL3735890) Show SMILES COc1ccc2C(=O)\C(Oc2c1C(C)N1CCNCC1)=C\c1n[nH]c2ncccc12 Show InChI InChI=1S/C22H23N5O3/c1-13(27-10-8-23-9-11-27)19-17(29-2)6-5-15-20(28)18(30-21(15)19)12-16-14-4-3-7-24-22(14)26-25-16/h3-7,12-13,23H,8-11H2,1-2H3,(H,24,25,26)/b18-12-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
The University of Tokyo Curated by ChEMBL					Assay Description Inhibition of DAPK1 (unknown origin) by electrophoretic mobility shift assay				Bioorg Med Chem Lett 25: 5687-93 (2015) Article DOI: 10.1016/j.bmcl.2015.10.098 BindingDB Entry DOI: 10.7270/Q2JD50SX
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50499279 (CHEMBL3735890) Show SMILES COc1ccc2C(=O)\C(Oc2c1C(C)N1CCNCC1)=C\c1n[nH]c2ncccc12 Show InChI InChI=1S/C22H23N5O3/c1-13(27-10-8-23-9-11-27)19-17(29-2)6-5-15-20(28)18(30-21(15)19)12-16-14-4-3-7-24-22(14)26-25-16/h3-7,12-13,23H,8-11H2,1-2H3,(H,24,25,26)/b18-12-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.10	n/a	n/a	n/a	n/a	n/a	n/a
The University of Tokyo Curated by ChEMBL					Assay Description Inhibition of GSK3beta (unknown origin) by electrophoretic mobility shift assay				Bioorg Med Chem Lett 25: 5687-93 (2015) Article DOI: 10.1016/j.bmcl.2015.10.098 BindingDB Entry DOI: 10.7270/Q2JD50SX
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-1 (Homo sapiens (Human))	BDBM50499279 (CHEMBL3735890) Show SMILES COc1ccc2C(=O)\C(Oc2c1C(C)N1CCNCC1)=C\c1n[nH]c2ncccc12 Show InChI InChI=1S/C22H23N5O3/c1-13(27-10-8-23-9-11-27)19-17(29-2)6-5-15-20(28)18(30-21(15)19)12-16-14-4-3-7-24-22(14)26-25-16/h3-7,12-13,23H,8-11H2,1-2H3,(H,24,25,26)/b18-12-	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.90	n/a	n/a	n/a	n/a	n/a	n/a
The University of Tokyo Curated by ChEMBL					Assay Description Inhibition of PIM1 (unknown origin) by electrophoretic mobility shift assay				Bioorg Med Chem Lett 25: 5687-93 (2015) Article DOI: 10.1016/j.bmcl.2015.10.098 BindingDB Entry DOI: 10.7270/Q2JD50SX
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-3 (Homo sapiens (Human))	BDBM50499279 (CHEMBL3735890) Show SMILES COc1ccc2C(=O)\C(Oc2c1C(C)N1CCNCC1)=C\c1n[nH]c2ncccc12 Show InChI InChI=1S/C22H23N5O3/c1-13(27-10-8-23-9-11-27)19-17(29-2)6-5-15-20(28)18(30-21(15)19)12-16-14-4-3-7-24-22(14)26-25-16/h3-7,12-13,23H,8-11H2,1-2H3,(H,24,25,26)/b18-12-	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.5	n/a	n/a	n/a	n/a	n/a	n/a
The University of Tokyo Curated by ChEMBL					Assay Description Inhibition of PIM3 (unknown origin) using FL-Peptide 1 (5-FAM-AKRRRLSSLRA-COOH) substrate incubated for 2 hrs by electrophoretic mobility shift assay				Bioorg Med Chem Lett 25: 5687-93 (2015) Article DOI: 10.1016/j.bmcl.2015.10.098 BindingDB Entry DOI: 10.7270/Q2JD50SX
					More data for this Ligand-Target Pair