BDBM50518513 CHEMBL4528544

SMILES: NC(=O)c1cc(Cl)c2c(Cl)c(C#CC3CCOCC3)n([C@H]3CCCNC3)c2n1

InChI Key: InChIKey=DJJJSDVUVOIUKR-ZDUSSCGKSA-N

Data: 3 IC50  1 EC50

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 = 50518513   

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 (Homo sapiens (Human))	BDBM50518513 (CHEMBL4528544) Show SMILES NC(=O)c1cc(Cl)c2c(Cl)c(C#CC3CCOCC3)n([C@H]3CCCNC3)c2n1 |r| Show InChI InChI=1S/C20H22Cl2N4O2/c21-14-10-15(19(23)27)25-20-17(14)18(22)16(4-3-12-5-8-28-9-6-12)26(20)13-2-1-7-24-11-13/h10,12-13,24H,1-2,5-9,11H2,(H2,23,27)/t13-/m0/s1	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	53	n/a	n/a	n/a	n/a
Sanofi Curated by ChEMBL					Assay Description Inhibition of PIM in human KG1 cells assessed as reduction in pS6 level				Bioorg Med Chem Lett 29: 491-495 (2019) Article DOI: 10.1016/j.bmcl.2018.12.015
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-2 (Homo sapiens (Human))	BDBM50518513 (CHEMBL4528544) Show SMILES NC(=O)c1cc(Cl)c2c(Cl)c(C#CC3CCOCC3)n([C@H]3CCCNC3)c2n1 |r| Show InChI InChI=1S/C20H22Cl2N4O2/c21-14-10-15(19(23)27)25-20-17(14)18(22)16(4-3-12-5-8-28-9-6-12)26(20)13-2-1-7-24-11-13/h10,12-13,24H,1-2,5-9,11H2,(H2,23,27)/t13-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi Curated by ChEMBL					Assay Description Inhibition of PIM2 (unknown origin) assessed as reduction in BAD phosphorylation at Ser-112 residue by TR-FRET assay				Bioorg Med Chem Lett 29: 491-495 (2019) Article DOI: 10.1016/j.bmcl.2018.12.015
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-1 (Homo sapiens (Human))	BDBM50518513 (CHEMBL4528544) Show SMILES NC(=O)c1cc(Cl)c2c(Cl)c(C#CC3CCOCC3)n([C@H]3CCCNC3)c2n1 |r| Show InChI InChI=1S/C20H22Cl2N4O2/c21-14-10-15(19(23)27)25-20-17(14)18(22)16(4-3-12-5-8-28-9-6-12)26(20)13-2-1-7-24-11-13/h10,12-13,24H,1-2,5-9,11H2,(H2,23,27)/t13-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi Curated by ChEMBL					Assay Description Inhibition of PIM1 (unknown origin) assessed as reduction in BAD phosphorylation at Ser-112 residue by TR-FRET assay				Bioorg Med Chem Lett 29: 491-495 (2019) Article DOI: 10.1016/j.bmcl.2018.12.015
					More data for this Ligand-Target Pair
1,3-beta-glucan synthase component GLS2 (Saccharomyces cerevisiae)	BDBM50518513 (CHEMBL4528544) Show SMILES NC(=O)c1cc(Cl)c2c(Cl)c(C#CC3CCOCC3)n([C@H]3CCCNC3)c2n1 |r| Show InChI InChI=1S/C20H22Cl2N4O2/c21-14-10-15(19(23)27)25-20-17(14)18(22)16(4-3-12-5-8-28-9-6-12)26(20)13-2-1-7-24-11-13/h10,12-13,24H,1-2,5-9,11H2,(H2,23,27)/t13-/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi Curated by ChEMBL					Assay Description Inhibition of human ERG				Bioorg Med Chem Lett 29: 491-495 (2019) Article DOI: 10.1016/j.bmcl.2018.12.015
					More data for this Ligand-Target Pair