BDBM141458 US8921368, 112

SMILES: C[C@@]1(N)CC[C@H](Nc2c(cnn3cc(cc23)-c2ccc(cc2)C#N)C(N)=O)C1(C)C

InChI Key: InChIKey=BMXQAKOQKCSXGC-WMZHIEFXSA-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 = 141458   

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))	BDBM141458 (US8921368, 112) Show SMILES C[C@@]1(N)CC[C@H](Nc2c(cnn3cc(cc23)-c2ccc(cc2)C#N)C(N)=O)C1(C)C |r| Show InChI InChI=1S/C23H26N6O/c1-22(2)19(8-9-23(22,3)26)28-20-17(21(25)30)12-27-29-13-16(10-18(20)29)15-6-4-14(11-24)5-7-15/h4-7,10,12-13,19,28H,8-9,26H2,1-3H3,(H2,25,30)/t19-,23+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	12.7	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))	BDBM141458 (US8921368, 112) Show SMILES C[C@@]1(N)CC[C@H](Nc2c(cnn3cc(cc23)-c2ccc(cc2)C#N)C(N)=O)C1(C)C |r| Show InChI InChI=1S/C23H26N6O/c1-22(2)19(8-9-23(22,3)26)28-20-17(21(25)30)12-27-29-13-16(10-18(20)29)15-6-4-14(11-24)5-7-15/h4-7,10,12-13,19,28H,8-9,26H2,1-3H3,(H2,25,30)/t19-,23+/m0/s1	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	9.40	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