BDBM188094 US9169252, 625::US9169252, 626::US9169252, 627

SMILES: CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1CCC(F)C1)-n1ncc2cc(cnc12)C#N

InChI Key: InChIKey=FUGDNJSQRKMYJH-LADRWXRNSA-N

Data: 3 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 3 hits for monomerid = 188094   

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
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM188094 (US9169252, 625 | US9169252, 626 | US9169252, 627) Show SMILES CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1CCC(F)C1)-n1ncc2cc(cnc12)C#N |r| Show InChI InChI=1S/C23H25F2N7O2/c1-23(2,34)19(25)12-29-22(33)17-11-27-20(7-18(17)31-16-4-3-15(24)6-16)32-21-14(10-30-32)5-13(8-26)9-28-21/h5,7,9-11,15-16,19,34H,3-4,6,12H2,1-2H3,(H,27,31)(H,29,33)/t15?,16?,19-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2.20	n/a	n/a	n/a	n/a	7.2	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The assays were performed in U-bottom 384-well plates. The final assay volume was 30 L prepared from 15 L additions of enzyme and substrates (fluores...				US Patent US9169252 (2015) BindingDB Entry DOI: 10.7270/Q2MP5235
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM188094 (US9169252, 625 | US9169252, 626 | US9169252, 627) Show SMILES CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1CCC(F)C1)-n1ncc2cc(cnc12)C#N |r| Show InChI InChI=1S/C23H25F2N7O2/c1-23(2,34)19(25)12-29-22(33)17-11-27-20(7-18(17)31-16-4-3-15(24)6-16)32-21-14(10-30-32)5-13(8-26)9-28-21/h5,7,9-11,15-16,19,34H,3-4,6,12H2,1-2H3,(H,27,31)(H,29,33)/t15?,16?,19-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2.30	n/a	n/a	n/a	n/a	7.2	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The assays were performed in U-bottom 384-well plates. The final assay volume was 30 L prepared from 15 L additions of enzyme and substrates (fluores...				US Patent US9169252 (2015) BindingDB Entry DOI: 10.7270/Q2MP5235
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM188094 (US9169252, 625 | US9169252, 626 | US9169252, 627) Show SMILES CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC1CCC(F)C1)-n1ncc2cc(cnc12)C#N |r| Show InChI InChI=1S/C23H25F2N7O2/c1-23(2,34)19(25)12-29-22(33)17-11-27-20(7-18(17)31-16-4-3-15(24)6-16)32-21-14(10-30-32)5-13(8-26)9-28-21/h5,7,9-11,15-16,19,34H,3-4,6,12H2,1-2H3,(H,27,31)(H,29,33)/t15?,16?,19-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.10	n/a	n/a	n/a	n/a	7.2	n/a
Bristol-Myers Squibb Company US Patent					Assay Description The assays were performed in U-bottom 384-well plates. The final assay volume was 30 L prepared from 15 L additions of enzyme and substrates (fluores...				US Patent US9169252 (2015) BindingDB Entry DOI: 10.7270/Q2MP5235
					More data for this Ligand-Target Pair