BDBM141464 US8921368, 162

SMILES: Cn1nccc1-c1cc2c(N[C@H]3CC[C@@](C)(O)CC3)c(cnn2c1)C(N)=O

InChI Key: InChIKey=YHJVPBGKOHFVLH-XVDXERDNSA-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 = 141464   

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))	BDBM141464 (US8921368, 162) Show SMILES Cn1nccc1-c1cc2c(N[C@H]3CC[C@@](C)(O)CC3)c(cnn2c1)C(N)=O |r,wU:11.11,14.16,wD:14.15,(-3.57,-4.75,;-4.34,-3.42,;-5.81,-2.95,;-5.81,-1.41,;-4.34,-.93,;-3.44,-2.18,;-1.9,-2.18,;-.99,-.93,;.47,-1.41,;1.81,-.64,;1.81,.9,;.47,1.67,;-.86,.9,;-2.19,1.67,;-2.19,3.21,;-3.53,3.98,;-2.19,4.75,;-.86,3.98,;.47,3.21,;3.14,-1.41,;3.14,-2.95,;1.81,-3.72,;.47,-2.95,;-.99,-3.42,;4.47,-.64,;5.81,-1.41,;4.47,.9,)| Show InChI InChI=1S/C19H24N6O2/c1-19(27)6-3-13(4-7-19)23-17-14(18(20)26)10-22-25-11-12(9-16(17)25)15-5-8-21-24(15)2/h5,8-11,13,23,27H,3-4,6-7H2,1-2H3,(H2,20,26)/t13-,19+	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	108	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))	BDBM141464 (US8921368, 162) Show SMILES Cn1nccc1-c1cc2c(N[C@H]3CC[C@@](C)(O)CC3)c(cnn2c1)C(N)=O |r,wU:11.11,14.16,wD:14.15,(-3.57,-4.75,;-4.34,-3.42,;-5.81,-2.95,;-5.81,-1.41,;-4.34,-.93,;-3.44,-2.18,;-1.9,-2.18,;-.99,-.93,;.47,-1.41,;1.81,-.64,;1.81,.9,;.47,1.67,;-.86,.9,;-2.19,1.67,;-2.19,3.21,;-3.53,3.98,;-2.19,4.75,;-.86,3.98,;.47,3.21,;3.14,-1.41,;3.14,-2.95,;1.81,-3.72,;.47,-2.95,;-.99,-3.42,;4.47,-.64,;5.81,-1.41,;4.47,.9,)| Show InChI InChI=1S/C19H24N6O2/c1-19(27)6-3-13(4-7-19)23-17-14(18(20)26)10-22-25-11-12(9-16(17)25)15-5-8-21-24(15)2/h5,8-11,13,23,27H,3-4,6-7H2,1-2H3,(H2,20,26)/t13-,19+	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	62.7	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