BDBM50539826 CHEMBL4640029

SMILES: Cc1[nH]nc2[nH]c(=O)cc([C@H]3CC[C@H](CCC#N)CC3)c12

InChI Key: InChIKey=YAFSTBFCDFDTKH-HAQNSBGRSA-N

Data: 5 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 5 hits for monomerid = 50539826   

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))	BDBM50539826 (CHEMBL4640029) Show SMILES Cc1[nH]nc2[nH]c(=O)cc([C@H]3CC[C@H](CCC#N)CC3)c12 |r,wU:10.9,wD:13.13,(16.83,-11.24,;17.3,-12.71,;16.39,-13.95,;17.3,-15.2,;18.77,-14.73,;20.1,-15.49,;21.43,-14.73,;22.77,-15.5,;21.43,-13.18,;20.1,-12.4,;20.11,-10.86,;18.78,-10.09,;18.79,-8.55,;20.13,-7.78,;20.14,-6.24,;18.81,-5.47,;18.82,-3.93,;18.82,-2.39,;21.46,-8.56,;21.45,-10.09,;18.77,-13.18,)| Show InChI InChI=1S/C16H20N4O/c1-10-15-13(9-14(21)18-16(15)20-19-10)12-6-4-11(5-7-12)3-2-8-17/h9,11-12H,2-7H2,1H3,(H2,18,19,20,21)/t11-,12-	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	32	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))	BDBM50539826 (CHEMBL4640029) Show SMILES Cc1[nH]nc2[nH]c(=O)cc([C@H]3CC[C@H](CCC#N)CC3)c12 |r,wU:10.9,wD:13.13,(16.83,-11.24,;17.3,-12.71,;16.39,-13.95,;17.3,-15.2,;18.77,-14.73,;20.1,-15.49,;21.43,-14.73,;22.77,-15.5,;21.43,-13.18,;20.1,-12.4,;20.11,-10.86,;18.78,-10.09,;18.79,-8.55,;20.13,-7.78,;20.14,-6.24,;18.81,-5.47,;18.82,-3.93,;18.82,-2.39,;21.46,-8.56,;21.45,-10.09,;18.77,-13.18,)| Show InChI InChI=1S/C16H20N4O/c1-10-15-13(9-14(21)18-16(15)20-19-10)12-6-4-11(5-7-12)3-2-8-17/h9,11-12H,2-7H2,1H3,(H2,18,19,20,21)/t11-,12-	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	160	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))	BDBM50539826 (CHEMBL4640029) Show SMILES Cc1[nH]nc2[nH]c(=O)cc([C@H]3CC[C@H](CCC#N)CC3)c12 |r,wU:10.9,wD:13.13,(16.83,-11.24,;17.3,-12.71,;16.39,-13.95,;17.3,-15.2,;18.77,-14.73,;20.1,-15.49,;21.43,-14.73,;22.77,-15.5,;21.43,-13.18,;20.1,-12.4,;20.11,-10.86,;18.78,-10.09,;18.79,-8.55,;20.13,-7.78,;20.14,-6.24,;18.81,-5.47,;18.82,-3.93,;18.82,-2.39,;21.46,-8.56,;21.45,-10.09,;18.77,-13.18,)| Show InChI InChI=1S/C16H20N4O/c1-10-15-13(9-14(21)18-16(15)20-19-10)12-6-4-11(5-7-12)3-2-8-17/h9,11-12H,2-7H2,1H3,(H2,18,19,20,21)/t11-,12-	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	1.30E+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
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM50539826 (CHEMBL4640029) Show SMILES Cc1[nH]nc2[nH]c(=O)cc([C@H]3CC[C@H](CCC#N)CC3)c12 |r,wU:10.9,wD:13.13,(16.83,-11.24,;17.3,-12.71,;16.39,-13.95,;17.3,-15.2,;18.77,-14.73,;20.1,-15.49,;21.43,-14.73,;22.77,-15.5,;21.43,-13.18,;20.1,-12.4,;20.11,-10.86,;18.78,-10.09,;18.79,-8.55,;20.13,-7.78,;20.14,-6.24,;18.81,-5.47,;18.82,-3.93,;18.82,-2.39,;21.46,-8.56,;21.45,-10.09,;18.77,-13.18,)| Show InChI InChI=1S/C16H20N4O/c1-10-15-13(9-14(21)18-16(15)20-19-10)12-6-4-11(5-7-12)3-2-8-17/h9,11-12H,2-7H2,1H3,(H2,18,19,20,21)/t11-,12-	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	1.20E+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))	BDBM50539826 (CHEMBL4640029) Show SMILES Cc1[nH]nc2[nH]c(=O)cc([C@H]3CC[C@H](CCC#N)CC3)c12 |r,wU:10.9,wD:13.13,(16.83,-11.24,;17.3,-12.71,;16.39,-13.95,;17.3,-15.2,;18.77,-14.73,;20.1,-15.49,;21.43,-14.73,;22.77,-15.5,;21.43,-13.18,;20.1,-12.4,;20.11,-10.86,;18.78,-10.09,;18.79,-8.55,;20.13,-7.78,;20.14,-6.24,;18.81,-5.47,;18.82,-3.93,;18.82,-2.39,;21.46,-8.56,;21.45,-10.09,;18.77,-13.18,)| Show InChI InChI=1S/C16H20N4O/c1-10-15-13(9-14(21)18-16(15)20-19-10)12-6-4-11(5-7-12)3-2-8-17/h9,11-12H,2-7H2,1H3,(H2,18,19,20,21)/t11-,12-	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	280	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