BDBM50267798 CHEMBL4091096

SMILES: CCOc1ccc(cn1)-c1cc2c(N[C@@H]3CC[C@](C)(N)C3(C)C)c(cnn2c1)C(N)=O

InChI Key: InChIKey=LFWYTNFEDRUBES-JPYJTQIMSA-N

Data: 6 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 6 hits for monomerid = 50267798   

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 JAK3 (Homo sapiens (Human))	BDBM50267798 (CHEMBL4091096) Show SMILES CCOc1ccc(cn1)-c1cc2c(N[C@@H]3CC[C@](C)(N)C3(C)C)c(cnn2c1)C(N)=O |r| Show InChI InChI=1S/C23H30N6O2/c1-5-31-19-7-6-14(11-26-19)15-10-17-20(16(21(24)30)12-27-29(17)13-15)28-18-8-9-23(4,25)22(18,2)3/h6-7,10-13,18,28H,5,8-9,25H2,1-4H3,(H2,24,30)/t18-,23+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Research and Development, Bristol-Myers Squibb Research and Development, P.O. Box 4000, Princeton, NJ 08543, USA. Electronic address: john.hynes@bms.com. Curated by ChEMBL					Assay Description Inhibition of JAK3 (unknown origin) using CSKtide as substrate after 30 mins in presence of [gamma33P]ATP by liquid scintillation counting method				Bioorg Med Chem Lett 27: 3101-3106 (2017) Article DOI: 10.1016/j.bmcl.2017.05.043 BindingDB Entry DOI: 10.7270/Q2G73H7V
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM50267798 (CHEMBL4091096) Show SMILES CCOc1ccc(cn1)-c1cc2c(N[C@@H]3CC[C@](C)(N)C3(C)C)c(cnn2c1)C(N)=O |r| Show InChI InChI=1S/C23H30N6O2/c1-5-31-19-7-6-14(11-26-19)15-10-17-20(16(21(24)30)12-27-29(17)13-15)28-18-8-9-23(4,25)22(18,2)3/h6-7,10-13,18,28H,5,8-9,25H2,1-4H3,(H2,24,30)/t18-,23+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Research and Development, Bristol-Myers Squibb Research and Development, P.O. Box 4000, Princeton, NJ 08543, USA. Electronic address: john.hynes@bms.com. Curated by ChEMBL					Assay Description Inhibition of GST-tagged JAK1 (unknown origin) after 3 hrs by Caliper assay				Bioorg Med Chem Lett 27: 3101-3106 (2017) Article DOI: 10.1016/j.bmcl.2017.05.043 BindingDB Entry DOI: 10.7270/Q2G73H7V
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50267798 (CHEMBL4091096) Show SMILES CCOc1ccc(cn1)-c1cc2c(N[C@@H]3CC[C@](C)(N)C3(C)C)c(cnn2c1)C(N)=O |r| Show InChI InChI=1S/C23H30N6O2/c1-5-31-19-7-6-14(11-26-19)15-10-17-20(16(21(24)30)12-27-29(17)13-15)28-18-8-9-23(4,25)22(18,2)3/h6-7,10-13,18,28H,5,8-9,25H2,1-4H3,(H2,24,30)/t18-,23+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	1.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
Research and Development, Bristol-Myers Squibb Research and Development, P.O. Box 4000, Princeton, NJ 08543, USA. Electronic address: john.hynes@bms.com. Curated by ChEMBL					Assay Description Inhibition of human ERG by flux-based assay				Bioorg Med Chem Lett 27: 3101-3106 (2017) Article DOI: 10.1016/j.bmcl.2017.05.043 BindingDB Entry DOI: 10.7270/Q2G73H7V
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM50267798 (CHEMBL4091096) Show SMILES CCOc1ccc(cn1)-c1cc2c(N[C@@H]3CC[C@](C)(N)C3(C)C)c(cnn2c1)C(N)=O |r| Show InChI InChI=1S/C23H30N6O2/c1-5-31-19-7-6-14(11-26-19)15-10-17-20(16(21(24)30)12-27-29(17)13-15)28-18-8-9-23(4,25)22(18,2)3/h6-7,10-13,18,28H,5,8-9,25H2,1-4H3,(H2,24,30)/t18-,23+/m1/s1	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	38	n/a	n/a	n/a	n/a	n/a	n/a
Research and Development, Bristol-Myers Squibb Research and Development, P.O. Box 4000, Princeton, NJ 08543, USA. Electronic address: john.hynes@bms.com. Curated by ChEMBL					Assay Description Inhibition of His-tagged TYK2 (unknown origin) after 3 hrs by Caliper assay				Bioorg Med Chem Lett 27: 3101-3106 (2017) Article DOI: 10.1016/j.bmcl.2017.05.043 BindingDB Entry DOI: 10.7270/Q2G73H7V
					More data for this Ligand-Target Pair
JAK3/JAK1 (Homo sapiens (Human))	BDBM50267798 (CHEMBL4091096) Show SMILES CCOc1ccc(cn1)-c1cc2c(N[C@@H]3CC[C@](C)(N)C3(C)C)c(cnn2c1)C(N)=O |r| Show InChI InChI=1S/C23H30N6O2/c1-5-31-19-7-6-14(11-26-19)15-10-17-20(16(21(24)30)12-27-29(17)13-15)28-18-8-9-23(4,25)22(18,2)3/h6-7,10-13,18,28H,5,8-9,25H2,1-4H3,(H2,24,30)/t18-,23+/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	800	n/a	n/a	n/a	n/a	n/a	n/a
Research and Development, Bristol-Myers Squibb Research and Development, P.O. Box 4000, Princeton, NJ 08543, USA. Electronic address: john.hynes@bms.com. Curated by ChEMBL					Assay Description Inhibition of JAK1/JAK3 in human whole blood assessed as reduction in IL-2 induced IFN-gamma production after 18 hrs by ELISA				Bioorg Med Chem Lett 27: 3101-3106 (2017) Article DOI: 10.1016/j.bmcl.2017.05.043 BindingDB Entry DOI: 10.7270/Q2G73H7V
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50267798 (CHEMBL4091096) Show SMILES CCOc1ccc(cn1)-c1cc2c(N[C@@H]3CC[C@](C)(N)C3(C)C)c(cnn2c1)C(N)=O |r| Show InChI InChI=1S/C23H30N6O2/c1-5-31-19-7-6-14(11-26-19)15-10-17-20(16(21(24)30)12-27-29(17)13-15)28-18-8-9-23(4,25)22(18,2)3/h6-7,10-13,18,28H,5,8-9,25H2,1-4H3,(H2,24,30)/t18-,23+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Research and Development, Bristol-Myers Squibb Research and Development, P.O. Box 4000, Princeton, NJ 08543, USA. Electronic address: john.hynes@bms.com. Curated by ChEMBL					Assay Description Inhibition of GST-tagged JAK2 (unknown origin) after 3 hrs by Caliper assay				Bioorg Med Chem Lett 27: 3101-3106 (2017) Article DOI: 10.1016/j.bmcl.2017.05.043 BindingDB Entry DOI: 10.7270/Q2G73H7V
					More data for this Ligand-Target Pair