BDBM50122320 CHEMBL3622149

SMILES: CCn1c(cc2c1nc(Nc1cc(C)nn1C)c1ncn(C)c21)C(=O)N(C1CC1)C1CC1

InChI Key: InChIKey=BIAKCAIUXMWBPY-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50122320   

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
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM50122320 (CHEMBL3622149) Show SMILES CCn1c(cc2c1nc(Nc1cc(C)nn1C)c1ncn(C)c21)C(=O)N(C1CC1)C1CC1 Show InChI InChI=1S/C23H28N8O/c1-5-30-17(23(32)31(14-6-7-14)15-8-9-15)11-16-20-19(24-12-28(20)3)21(26-22(16)30)25-18-10-13(2)27-29(18)4/h10-12,14-15H,5-9H2,1-4H3,(H,25,26)	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb R&D Curated by ChEMBL					Assay Description Inhibition of recombinant TYK2 (unknown origin) by scintillation counting method				ACS Med Chem Lett 6: 850-5 (2015) BindingDB Entry DOI: 10.7270/Q2CJ8G8Z
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM50122320 (CHEMBL3622149) Show SMILES CCn1c(cc2c1nc(Nc1cc(C)nn1C)c1ncn(C)c21)C(=O)N(C1CC1)C1CC1 Show InChI InChI=1S/C23H28N8O/c1-5-30-17(23(32)31(14-6-7-14)15-8-9-15)11-16-20-19(24-12-28(20)3)21(26-22(16)30)25-18-10-13(2)27-29(18)4/h10-12,14-15H,5-9H2,1-4H3,(H,25,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	540	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb R&D Curated by ChEMBL					Assay Description Inhibition of recombinant JAK1 (unknown origin) using 5-FAM-KKKKEEIYFFFG-OH substrate and ATP incubated for 180 mins by scintillation counting method				ACS Med Chem Lett 6: 850-5 (2015) BindingDB Entry DOI: 10.7270/Q2CJ8G8Z
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM50122320 (CHEMBL3622149) Show SMILES CCn1c(cc2c1nc(Nc1cc(C)nn1C)c1ncn(C)c21)C(=O)N(C1CC1)C1CC1 Show InChI InChI=1S/C23H28N8O/c1-5-30-17(23(32)31(14-6-7-14)15-8-9-15)11-16-20-19(24-12-28(20)3)21(26-22(16)30)25-18-10-13(2)27-29(18)4/h10-12,14-15H,5-9H2,1-4H3,(H,25,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb R&D Curated by ChEMBL					Assay Description Inhibition of recombinant JAK3 (unknown origin) using 5-FAM-KKKKEEIYFFFG-OH substrate and ATP incubated for 180 mins by scintillation counting method				ACS Med Chem Lett 6: 850-5 (2015) BindingDB Entry DOI: 10.7270/Q2CJ8G8Z
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50122320 (CHEMBL3622149) Show SMILES CCn1c(cc2c1nc(Nc1cc(C)nn1C)c1ncn(C)c21)C(=O)N(C1CC1)C1CC1 Show InChI InChI=1S/C23H28N8O/c1-5-30-17(23(32)31(14-6-7-14)15-8-9-15)11-16-20-19(24-12-28(20)3)21(26-22(16)30)25-18-10-13(2)27-29(18)4/h10-12,14-15H,5-9H2,1-4H3,(H,25,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	230	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb R&D Curated by ChEMBL					Assay Description Inhibition of recombinant JAK2 (unknown origin) using 5-FAM-KKKKEEIYFFFG-OH substrate and ATP incubated for 180 mins by scintillation counting method				ACS Med Chem Lett 6: 850-5 (2015) BindingDB Entry DOI: 10.7270/Q2CJ8G8Z
					More data for this Ligand-Target Pair