BDBM50539846 CHEMBL4648820

SMILES: [H][C@@]12C[C@H](c3cc(=O)[nH]c4n[nH]c(C)c34)[C@@]([H])(C[C@H]1CC#N)C2

InChI Key: InChIKey=KGKZRAAHCZTDQA-WYUUTHIRSA-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 = 50539846   

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))	BDBM50539846 (CHEMBL4648820) Show SMILES [H][C@@]12C[C@H](c3cc(=O)[nH]c4n[nH]c(C)c34)[C@@]([H])(C[C@H]1CC#N)C2 |r| Show InChI InChI=1S/C16H18N4O/c1-8-15-13(7-14(21)18-16(15)20-19-8)12-6-10-5-11(12)4-9(10)2-3-17/h7,9-12H,2,4-6H2,1H3,(H2,18,19,20,21)/t9-,10-,11+,12+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	47	n/a	n/a	n/a	n/a	n/a	n/a
GVK Biosciences Private Limited Curated by ChEMBL					Assay Description Inhibition of N-terminal GST-tagged human JAK1 catalytic domain (850 to 1154 residues) incubated for 40 mins in presence of TK substrate-biotin by TR...				J Med Chem 63: 7008-7032 (2020)
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50539846 (CHEMBL4648820) Show SMILES [H][C@@]12C[C@H](c3cc(=O)[nH]c4n[nH]c(C)c34)[C@@]([H])(C[C@H]1CC#N)C2 |r| Show InChI InChI=1S/C16H18N4O/c1-8-15-13(7-14(21)18-16(15)20-19-8)12-6-10-5-11(12)4-9(10)2-3-17/h7,9-12H,2,4-6H2,1H3,(H2,18,19,20,21)/t9-,10-,11+,12+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	360	n/a	n/a	n/a	n/a	n/a	n/a
GVK Biosciences Private Limited Curated by ChEMBL					Assay Description Inhibition of N-terminal His-tagged human JAK2 catalytic domain incubated for 20 mins in presence of TK substrate-biotin by TR-FRET assay				J Med Chem 63: 7008-7032 (2020)
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50539846 (CHEMBL4648820) Show SMILES [H][C@@]12C[C@H](c3cc(=O)[nH]c4n[nH]c(C)c34)[C@@]([H])(C[C@H]1CC#N)C2 |r| Show InChI InChI=1S/C16H18N4O/c1-8-15-13(7-14(21)18-16(15)20-19-8)12-6-10-5-11(12)4-9(10)2-3-17/h7,9-12H,2,4-6H2,1H3,(H2,18,19,20,21)/t9-,10-,11+,12+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	>4.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
GVK Biosciences Private Limited Curated by ChEMBL					Assay Description Inhibition of JAK2 in human STAT5-irf1-bla TF1 cells assessed as reduction in EPO-induced STAT5-signalling pre-incubated for 1 hrs before EPO additio...				J Med Chem 63: 7008-7032 (2020)
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM50539846 (CHEMBL4648820) Show SMILES [H][C@@]12C[C@H](c3cc(=O)[nH]c4n[nH]c(C)c34)[C@@]([H])(C[C@H]1CC#N)C2 |r| Show InChI InChI=1S/C16H18N4O/c1-8-15-13(7-14(21)18-16(15)20-19-8)12-6-10-5-11(12)4-9(10)2-3-17/h7,9-12H,2,4-6H2,1H3,(H2,18,19,20,21)/t9-,10-,11+,12+/m1/s1	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	330	n/a	n/a	n/a	n/a	n/a	n/a
GVK Biosciences Private Limited Curated by ChEMBL					Assay Description Inhibition of N-terminal GST-tagged human TYK2 catalytic domain (871 to 1187 residues) incubated for 40 mins in presence of TK substrate-biotin by TR...				J Med Chem 63: 7008-7032 (2020)
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM50539846 (CHEMBL4648820) Show SMILES [H][C@@]12C[C@H](c3cc(=O)[nH]c4n[nH]c(C)c34)[C@@]([H])(C[C@H]1CC#N)C2 |r| Show InChI InChI=1S/C16H18N4O/c1-8-15-13(7-14(21)18-16(15)20-19-8)12-6-10-5-11(12)4-9(10)2-3-17/h7,9-12H,2,4-6H2,1H3,(H2,18,19,20,21)/t9-,10-,11+,12+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	2.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
GVK Biosciences Private Limited Curated by ChEMBL					Assay Description Inhibition of JAK1 in human STAT6-bla-RA1 cells assessed as reduction in IL4-induced STAT6-signalling pre-incubated for 1 hrs before human recombinan...				J Med Chem 63: 7008-7032 (2020)
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM50539846 (CHEMBL4648820) Show SMILES [H][C@@]12C[C@H](c3cc(=O)[nH]c4n[nH]c(C)c34)[C@@]([H])(C[C@H]1CC#N)C2 |r| Show InChI InChI=1S/C16H18N4O/c1-8-15-13(7-14(21)18-16(15)20-19-8)12-6-10-5-11(12)4-9(10)2-3-17/h7,9-12H,2,4-6H2,1H3,(H2,18,19,20,21)/t9-,10-,11+,12+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	970	n/a	n/a	n/a	n/a	n/a	n/a
GVK Biosciences Private Limited Curated by ChEMBL					Assay Description Inhibition of N-terminal His-tagged human JAK3 catalytic domain incubated for 20 mins in presence of TK substrate-biotin by TR-FRET assay				J Med Chem 63: 7008-7032 (2020)
					More data for this Ligand-Target Pair