BDBM141465 US8921368, 166

SMILES: C[C@@]1(O)CC[C@@H](CC1)Nc1c(cnn2cc(cc12)-c1ccccc1C(N)=O)C(N)=O

InChI Key: InChIKey=ZXZAXKASIXJZHR-XLOAEROZSA-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 = 141465   

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))	BDBM141465 (US8921368, 166) Show SMILES C[C@@]1(O)CC[C@@H](CC1)Nc1c(cnn2cc(cc12)-c1ccccc1C(N)=O)C(N)=O |r,wU:5.8,1.1,wD:1.0,(-3.17,4.7,;-1.84,3.93,;-1.84,5.47,;-1.84,2.39,;-.51,1.62,;.83,2.39,;.83,3.93,;-.51,4.7,;2.16,1.62,;2.16,.08,;3.49,-.69,;3.49,-2.23,;2.16,-3,;.83,-2.23,;-.64,-2.71,;-1.54,-1.46,;-.64,-.22,;.83,-.69,;-3.08,-1.46,;-3.85,-.13,;-5.39,-.13,;-6.16,-1.46,;-5.39,-2.8,;-3.82,-2.85,;-3.05,-4.18,;-3.82,-5.51,;-1.51,-4.18,;4.83,.08,;6.16,-.69,;4.83,1.62,)| Show InChI InChI=1S/C22H25N5O3/c1-22(30)8-6-14(7-9-22)26-19-17(21(24)29)11-25-27-12-13(10-18(19)27)15-4-2-3-5-16(15)20(23)28/h2-5,10-12,14,26,30H,6-9H2,1H3,(H2,23,28)(H2,24,29)/t14-,22+	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	72.4	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))	BDBM141465 (US8921368, 166) Show SMILES C[C@@]1(O)CC[C@@H](CC1)Nc1c(cnn2cc(cc12)-c1ccccc1C(N)=O)C(N)=O |r,wU:5.8,1.1,wD:1.0,(-3.17,4.7,;-1.84,3.93,;-1.84,5.47,;-1.84,2.39,;-.51,1.62,;.83,2.39,;.83,3.93,;-.51,4.7,;2.16,1.62,;2.16,.08,;3.49,-.69,;3.49,-2.23,;2.16,-3,;.83,-2.23,;-.64,-2.71,;-1.54,-1.46,;-.64,-.22,;.83,-.69,;-3.08,-1.46,;-3.85,-.13,;-5.39,-.13,;-6.16,-1.46,;-5.39,-2.8,;-3.82,-2.85,;-3.05,-4.18,;-3.82,-5.51,;-1.51,-4.18,;4.83,.08,;6.16,-.69,;4.83,1.62,)| Show InChI InChI=1S/C22H25N5O3/c1-22(30)8-6-14(7-9-22)26-19-17(21(24)29)11-25-27-12-13(10-18(19)27)15-4-2-3-5-16(15)20(23)28/h2-5,10-12,14,26,30H,6-9H2,1H3,(H2,23,28)(H2,24,29)/t14-,22+	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	33.6	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