BDBM50387309 CHEMBL2048865

SMILES: N[C@@H]1CCCN(C1)c1ccccc1C=C1SC(O)=NC1=O

InChI Key: InChIKey=WLJWSUVXFQUAHY-LLVKDONJSA-N

Data: 7 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 7 hits for monomerid = 50387309   

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
Serine/threonine-protein kinase pim-1 (Homo sapiens (Human))	BDBM50387309 (CHEMBL2048865) Show SMILES N[C@@H]1CCCN(C1)c1ccccc1C=C1SC(O)=NC1=O |r,w:13.14,c:19| Show InChI InChI=1S/C15H17N3O2S/c16-11-5-3-7-18(9-11)12-6-2-1-4-10(12)8-13-14(19)17-15(20)21-13/h1-2,4,6,8,11H,3,5,7,9,16H2,(H,17,19,20)/t11-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human PIM1 using FITC-(AHX)RSRHSSYPAGT-COOH as substrate after 90 mins by mobility shift assay in presence of 5 mM ATP				Bioorg Med Chem Lett 22: 4599-604 (2012) Article DOI: 10.1016/j.bmcl.2012.05.098 BindingDB Entry DOI: 10.7270/Q2348MDS
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-2 (Homo sapiens (Human))	BDBM50387309 (CHEMBL2048865) Show SMILES N[C@@H]1CCCN(C1)c1ccccc1C=C1SC(O)=NC1=O |r,w:13.14,c:19| Show InChI InChI=1S/C15H17N3O2S/c16-11-5-3-7-18(9-11)12-6-2-1-4-10(12)8-13-14(19)17-15(20)21-13/h1-2,4,6,8,11H,3,5,7,9,16H2,(H,17,19,20)/t11-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human PIM2 using FITC-(AHX)RSRHSSYPAGT-COOH as substrate after 90 mins by mobility shift assay in presence of 5 mM ATP				Bioorg Med Chem Lett 22: 4599-604 (2012) Article DOI: 10.1016/j.bmcl.2012.05.098 BindingDB Entry DOI: 10.7270/Q2348MDS
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-3 (Homo sapiens (Human))	BDBM50387309 (CHEMBL2048865) Show SMILES N[C@@H]1CCCN(C1)c1ccccc1C=C1SC(O)=NC1=O |r,w:13.14,c:19| Show InChI InChI=1S/C15H17N3O2S/c16-11-5-3-7-18(9-11)12-6-2-1-4-10(12)8-13-14(19)17-15(20)21-13/h1-2,4,6,8,11H,3,5,7,9,16H2,(H,17,19,20)/t11-/m1/s1	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	240	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human PIM3 using FITC-(AHX)RSRHSSYPAGT-COOH as substrate after 90 mins by mobility shift assay in presence of 5 mM ATP				Bioorg Med Chem Lett 22: 4599-604 (2012) Article DOI: 10.1016/j.bmcl.2012.05.098 BindingDB Entry DOI: 10.7270/Q2348MDS
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50387309 (CHEMBL2048865) Show SMILES N[C@@H]1CCCN(C1)c1ccccc1C=C1SC(O)=NC1=O |r,w:13.14,c:19| Show InChI InChI=1S/C15H17N3O2S/c16-11-5-3-7-18(9-11)12-6-2-1-4-10(12)8-13-14(19)17-15(20)21-13/h1-2,4,6,8,11H,3,5,7,9,16H2,(H,17,19,20)/t11-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human ERG				Bioorg Med Chem Lett 22: 4599-604 (2012) Article DOI: 10.1016/j.bmcl.2012.05.098 BindingDB Entry DOI: 10.7270/Q2348MDS
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-2 (Homo sapiens (Human))	BDBM50387309 (CHEMBL2048865) Show SMILES N[C@@H]1CCCN(C1)c1ccccc1C=C1SC(O)=NC1=O |r,w:13.14,c:19| Show InChI InChI=1S/C15H17N3O2S/c16-11-5-3-7-18(9-11)12-6-2-1-4-10(12)8-13-14(19)17-15(20)21-13/h1-2,4,6,8,11H,3,5,7,9,16H2,(H,17,19,20)/t11-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human PIM2 using FITC-(AHX)RSRHSSYPAGT-COOH as substrate after 90 mins by mobility shift assay in presence of 50 uM ATP				Bioorg Med Chem Lett 22: 4599-604 (2012) Article DOI: 10.1016/j.bmcl.2012.05.098 BindingDB Entry DOI: 10.7270/Q2348MDS
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-3 (Homo sapiens (Human))	BDBM50387309 (CHEMBL2048865) Show SMILES N[C@@H]1CCCN(C1)c1ccccc1C=C1SC(O)=NC1=O |r,w:13.14,c:19| Show InChI InChI=1S/C15H17N3O2S/c16-11-5-3-7-18(9-11)12-6-2-1-4-10(12)8-13-14(19)17-15(20)21-13/h1-2,4,6,8,11H,3,5,7,9,16H2,(H,17,19,20)/t11-/m1/s1	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human PIM3 using FITC-(AHX)RSRHSSYPAGT-COOH as substrate after 90 mins by mobility shift assay in presence of 50 uM ATP				Bioorg Med Chem Lett 22: 4599-604 (2012) Article DOI: 10.1016/j.bmcl.2012.05.098 BindingDB Entry DOI: 10.7270/Q2348MDS
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-1 (Homo sapiens (Human))	BDBM50387309 (CHEMBL2048865) Show SMILES N[C@@H]1CCCN(C1)c1ccccc1C=C1SC(O)=NC1=O |r,w:13.14,c:19| Show InChI InChI=1S/C15H17N3O2S/c16-11-5-3-7-18(9-11)12-6-2-1-4-10(12)8-13-14(19)17-15(20)21-13/h1-2,4,6,8,11H,3,5,7,9,16H2,(H,17,19,20)/t11-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human PIM1 using FITC-(AHX)RSRHSSYPAGT-COOH as substrate after 90 mins by mobility shift assay in presence of 50 uM ATP				Bioorg Med Chem Lett 22: 4599-604 (2012) Article DOI: 10.1016/j.bmcl.2012.05.098 BindingDB Entry DOI: 10.7270/Q2348MDS
					More data for this Ligand-Target Pair