BDBM50053679 CHEMBL3318853::US9328106, 115

SMILES: [H][C@]12CC[C@](CC[C@@H]1N)(O2)c1c(NC(=O)c2nc(sc2N)-c2c(F)cccc2F)cnn1C

InChI Key: InChIKey=FLWOSIOISGGQGY-VUCVNMQBSA-N

Data: 2 KI

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 2 hits for monomerid = 50053679   

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))	BDBM50053679 (CHEMBL3318853 | US9328106, 115) Show SMILES [H][C@]12CC[C@](CC[C@@H]1N)(O2)c1c(NC(=O)c2nc(sc2N)-c2c(F)cccc2F)cnn1C |r| Show InChI InChI=1S/C21H22F2N6O2S/c1-29-17(21-7-5-12(24)14(31-21)6-8-21)13(9-26-29)27-19(30)16-18(25)32-20(28-16)15-10(22)3-2-4-11(15)23/h2-4,9,12,14H,5-8,24-25H2,1H3,(H,27,30)/t12-,14-,21-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.00600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Therachem Research Medilab (India) Pvt. Ltd. Curated by ChEMBL					Assay Description Inhibition of PIM1 (unknown origin)				ACS Med Chem Lett 5: 730-1 (2014) Article DOI: 10.1021/ml5001678 BindingDB Entry DOI: 10.7270/Q2SN0BMH
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-1 (Homo sapiens (Human))	BDBM50053679 (CHEMBL3318853 | US9328106, 115) Show SMILES [H][C@]12CC[C@](CC[C@@H]1N)(O2)c1c(NC(=O)c2nc(sc2N)-c2c(F)cccc2F)cnn1C |r| Show InChI InChI=1S/C21H22F2N6O2S/c1-29-17(21-7-5-12(24)14(31-21)6-8-21)13(9-26-29)27-19(30)16-18(25)32-20(28-16)15-10(22)3-2-4-11(15)23/h2-4,9,12,14H,5-8,24-25H2,1H3,(H,27,30)/t12-,14-,21-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	0.00600	-15.3	n/a	n/a	n/a	n/a	n/a	7.2	25
GENENTECH, INC. US Patent					Assay Description LC3K assay: PIM-1, -2, and -3 enzymes were generated as fusion proteins expressed in bacteria and purified by IMAC column chromatography (Sun, X., Ch...				US Patent US9328106 (2016) BindingDB Entry DOI: 10.7270/Q29W0DBT
					More data for this Ligand-Target Pair