BDBM50387299 CHEMBL2048873

SMILES: N[C@@H]1CCCN(C1)c1c(C=C2SC(O)=NC2=O)cccc1-c1ccncc1

InChI Key: InChIKey=HPGYBULDKFXBFU-OAHLLOKOSA-N

Data: 6 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 6 hits for monomerid = 50387299   

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
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50387299 (CHEMBL2048873) Show SMILES N[C@@H]1CCCN(C1)c1c(C=C2SC(O)=NC2=O)cccc1-c1ccncc1 |r,w:9.9,c:14| Show InChI InChI=1S/C20H20N4O2S/c21-15-4-2-10-24(12-15)18-14(11-17-19(25)23-20(26)27-17)3-1-5-16(18)13-6-8-22-9-7-13/h1,3,5-9,11,15H,2,4,10,12,21H2,(H,23,25,26)/t15-/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))	BDBM50387299 (CHEMBL2048873) Show SMILES N[C@@H]1CCCN(C1)c1c(C=C2SC(O)=NC2=O)cccc1-c1ccncc1 |r,w:9.9,c:14| Show InChI InChI=1S/C20H20N4O2S/c21-15-4-2-10-24(12-15)18-14(11-17-19(25)23-20(26)27-17)3-1-5-16(18)13-6-8-22-9-7-13/h1,3,5-9,11,15H,2,4,10,12,21H2,(H,23,25,26)/t15-/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	19	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))	BDBM50387299 (CHEMBL2048873) Show SMILES N[C@@H]1CCCN(C1)c1c(C=C2SC(O)=NC2=O)cccc1-c1ccncc1 |r,w:9.9,c:14| Show InChI InChI=1S/C20H20N4O2S/c21-15-4-2-10-24(12-15)18-14(11-17-19(25)23-20(26)27-17)3-1-5-16(18)13-6-8-22-9-7-13/h1,3,5-9,11,15H,2,4,10,12,21H2,(H,23,25,26)/t15-/m1/s1	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	38	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
Serine/threonine-protein kinase pim-1 (Homo sapiens (Human))	BDBM50387299 (CHEMBL2048873) Show SMILES N[C@@H]1CCCN(C1)c1c(C=C2SC(O)=NC2=O)cccc1-c1ccncc1 |r,w:9.9,c:14| Show InChI InChI=1S/C20H20N4O2S/c21-15-4-2-10-24(12-15)18-14(11-17-19(25)23-20(26)27-17)3-1-5-16(18)13-6-8-22-9-7-13/h1,3,5-9,11,15H,2,4,10,12,21H2,(H,23,25,26)/t15-/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	4	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))	BDBM50387299 (CHEMBL2048873) Show SMILES N[C@@H]1CCCN(C1)c1c(C=C2SC(O)=NC2=O)cccc1-c1ccncc1 |r,w:9.9,c:14| Show InChI InChI=1S/C20H20N4O2S/c21-15-4-2-10-24(12-15)18-14(11-17-19(25)23-20(26)27-17)3-1-5-16(18)13-6-8-22-9-7-13/h1,3,5-9,11,15H,2,4,10,12,21H2,(H,23,25,26)/t15-/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	690	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))	BDBM50387299 (CHEMBL2048873) Show SMILES N[C@@H]1CCCN(C1)c1c(C=C2SC(O)=NC2=O)cccc1-c1ccncc1 |r,w:9.9,c:14| Show InChI InChI=1S/C20H20N4O2S/c21-15-4-2-10-24(12-15)18-14(11-17-19(25)23-20(26)27-17)3-1-5-16(18)13-6-8-22-9-7-13/h1,3,5-9,11,15H,2,4,10,12,21H2,(H,23,25,26)/t15-/m1/s1	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	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