BDBM141459 US8921368, 123

SMILES: CC1(CCCC1Nc1c(cnn2cc(cc12)-c1ccccc1)C(N)=O)C#N

InChI Key: InChIKey=ADGZEMSWFJNDIG-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 141459   

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
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM141459 (US8921368, 123) Show SMILES CC1(CCCC1Nc1c(cnn2cc(cc12)-c1ccccc1)C(N)=O)C#N Show InChI InChI=1S/C21H21N5O/c1-21(13-22)9-5-8-18(21)25-19-16(20(23)27)11-24-26-12-15(10-17(19)26)14-6-3-2-4-7-14/h2-4,6-7,10-12,18,25H,5,8-9H2,1H3,(H2,23,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	7.4	25
Bristol-Myers Squibb Company US Patent					Assay Description The assay reactions were performed in U-bottom 384-well plates. The final assay volume was 30 ul prepared from 15 ul additions of enzyme and substr...				US Patent US8921368 (2014) BindingDB Entry DOI: 10.7270/Q2HH6HS7
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM141459 (US8921368, 123) Show SMILES CC1(CCCC1Nc1c(cnn2cc(cc12)-c1ccccc1)C(N)=O)C#N Show InChI InChI=1S/C21H21N5O/c1-21(13-22)9-5-8-18(21)25-19-16(20(23)27)11-24-26-12-15(10-17(19)26)14-6-3-2-4-7-14/h2-4,6-7,10-12,18,25H,5,8-9H2,1H3,(H2,23,27)	PDB 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	0.200	n/a	n/a	n/a	n/a	8.0	25
Bristol-Myers Squibb Company US Patent					Assay Description Kinase reactions consisted of 5 ng of JAK3 enzyme, 30 uM CSKtide substrate, 0.2 uCi gamma-33P ATP, 8 uM ATP in 30 ul kinase buffer (50 mM Hepes, pH ...				US Patent US8921368 (2014) BindingDB Entry DOI: 10.7270/Q2HH6HS7
					More data for this Ligand-Target Pair