BDBM141466 US8921368, 167

SMILES: C[C@@]1(O)CC[C@@H](CC1)Nc1c(cnn2cc(cc12)-c1ccc(cc1)[N+]#[C-])C(N)=O

InChI Key: InChIKey=CRSARVOMCJQGGG-LMTLIKQPSA-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 = 141466   

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))	BDBM141466 (US8921368, 167) Show SMILES C[C@@]1(O)CC[C@@H](CC1)Nc1c(cnn2cc(cc12)-c1ccc(cc1)[N+]#[C-])C(N)=O |r,wU:5.8,1.1,wD:1.0,(-1.63,3.47,;-.3,2.69,;-.3,4.23,;-.3,1.15,;1.03,.38,;2.37,1.15,;2.37,2.69,;1.03,3.47,;3.7,.38,;3.7,-1.15,;5.03,-1.93,;5.03,-3.47,;3.7,-4.23,;2.37,-3.47,;.9,-3.94,;-0,-2.69,;.9,-1.45,;2.37,-1.93,;-1.54,-2.69,;-2.31,-1.36,;-3.85,-1.36,;-4.68,-2.69,;-3.85,-4.03,;-2.31,-4.03,;-6.22,-2.69,;-7.76,-2.69,;6.37,-1.15,;7.7,-1.93,;6.37,.38,)| Show InChI InChI=1S/C22H23N5O2/c1-22(29)9-7-17(8-10-22)26-20-18(21(23)28)12-25-27-13-15(11-19(20)27)14-3-5-16(24-2)6-4-14/h3-6,11-13,17,26,29H,7-10H2,1H3,(H2,23,28)/t17-,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	6.10	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))	BDBM141466 (US8921368, 167) Show SMILES C[C@@]1(O)CC[C@@H](CC1)Nc1c(cnn2cc(cc12)-c1ccc(cc1)[N+]#[C-])C(N)=O |r,wU:5.8,1.1,wD:1.0,(-1.63,3.47,;-.3,2.69,;-.3,4.23,;-.3,1.15,;1.03,.38,;2.37,1.15,;2.37,2.69,;1.03,3.47,;3.7,.38,;3.7,-1.15,;5.03,-1.93,;5.03,-3.47,;3.7,-4.23,;2.37,-3.47,;.9,-3.94,;-0,-2.69,;.9,-1.45,;2.37,-1.93,;-1.54,-2.69,;-2.31,-1.36,;-3.85,-1.36,;-4.68,-2.69,;-3.85,-4.03,;-2.31,-4.03,;-6.22,-2.69,;-7.76,-2.69,;6.37,-1.15,;7.7,-1.93,;6.37,.38,)| Show InChI InChI=1S/C22H23N5O2/c1-22(29)9-7-17(8-10-22)26-20-18(21(23)28)12-25-27-13-15(11-19(20)27)14-3-5-16(24-2)6-4-14/h3-6,11-13,17,26,29H,7-10H2,1H3,(H2,23,28)/t17-,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	1.60	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