BDBM50518516 CHEMBL4445116

SMILES: CC(C)(CC#Cc1c(Cl)c2c(Cl)cc(nc2n1[C@H]1CCCNC1)C(N)=O)C#N

InChI Key: InChIKey=UDHXHJAZPMOTOA-LBPRGKRZSA-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 = 50518516   

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))	BDBM50518516 (CHEMBL4445116) Show SMILES CC(C)(CC#Cc1c(Cl)c2c(Cl)cc(nc2n1[C@H]1CCCNC1)C(N)=O)C#N |r| Show InChI InChI=1S/C20H21Cl2N5O/c1-20(2,11-23)7-3-6-15-17(22)16-13(21)9-14(18(24)28)26-19(16)27(15)12-5-4-8-25-10-12/h9,12,25H,4-5,7-8,10H2,1-2H3,(H2,24,28)/t12-/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	90	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-1 (Homo sapiens (Human))	BDBM50518516 (CHEMBL4445116) Show SMILES CC(C)(CC#Cc1c(Cl)c2c(Cl)cc(nc2n1[C@H]1CCCNC1)C(N)=O)C#N |r| Show InChI InChI=1S/C20H21Cl2N5O/c1-20(2,11-23)7-3-6-15-17(22)16-13(21)9-14(18(24)28)26-19(16)27(15)12-5-4-8-25-10-12/h9,12,25H,4-5,7-8,10H2,1-2H3,(H2,24,28)/t12-/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	5.80	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
Serine/threonine-protein kinase pim-2 (Homo sapiens (Human))	BDBM50518516 (CHEMBL4445116) Show SMILES CC(C)(CC#Cc1c(Cl)c2c(Cl)cc(nc2n1[C@H]1CCCNC1)C(N)=O)C#N |r| Show InChI InChI=1S/C20H21Cl2N5O/c1-20(2,11-23)7-3-6-15-17(22)16-13(21)9-14(18(24)28)26-19(16)27(15)12-5-4-8-25-10-12/h9,12,25H,4-5,7-8,10H2,1-2H3,(H2,24,28)/t12-/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	29	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
1,3-beta-glucan synthase component GLS2 (Saccharomyces cerevisiae)	BDBM50518516 (CHEMBL4445116) Show SMILES CC(C)(CC#Cc1c(Cl)c2c(Cl)cc(nc2n1[C@H]1CCCNC1)C(N)=O)C#N |r| Show InChI InChI=1S/C20H21Cl2N5O/c1-20(2,11-23)7-3-6-15-17(22)16-13(21)9-14(18(24)28)26-19(16)27(15)12-5-4-8-25-10-12/h9,12,25H,4-5,7-8,10H2,1-2H3,(H2,24,28)/t12-/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3	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