BDBM50539830 CHEMBL4632897

SMILES: Cc1[nH]nc2[nH]c(=O)cc([C@H]3CC[C@@H](CC3)NC(=O)C3CCCC3)c12

InChI Key: InChIKey=NCLWUEGWKKBNEJ-MQMHXKEQSA-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 = 50539830   

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))	BDBM50539830 (CHEMBL4632897) Show SMILES Cc1[nH]nc2[nH]c(=O)cc([C@H]3CC[C@@H](CC3)NC(=O)C3CCCC3)c12 |r,wU:10.9,wD:13.16,(60.58,-12.25,;61.06,-13.71,;60.14,-14.96,;61.06,-16.21,;62.53,-15.73,;63.86,-16.49,;65.19,-15.73,;66.53,-16.5,;65.19,-14.19,;63.86,-13.4,;63.87,-11.86,;62.54,-11.09,;62.55,-9.55,;63.89,-8.79,;65.21,-9.56,;65.21,-11.1,;63.89,-7.25,;62.57,-6.47,;61.23,-7.23,;62.57,-4.93,;63.82,-4.03,;63.35,-2.56,;61.81,-2.56,;61.33,-4.02,;62.53,-14.19,)| Show InChI InChI=1S/C19H26N4O2/c1-11-17-15(10-16(24)21-18(17)23-22-11)12-6-8-14(9-7-12)20-19(25)13-4-2-3-5-13/h10,12-14H,2-9H2,1H3,(H,20,25)(H2,21,22,23,24)/t12-,14-	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	110	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))	BDBM50539830 (CHEMBL4632897) Show SMILES Cc1[nH]nc2[nH]c(=O)cc([C@H]3CC[C@@H](CC3)NC(=O)C3CCCC3)c12 |r,wU:10.9,wD:13.16,(60.58,-12.25,;61.06,-13.71,;60.14,-14.96,;61.06,-16.21,;62.53,-15.73,;63.86,-16.49,;65.19,-15.73,;66.53,-16.5,;65.19,-14.19,;63.86,-13.4,;63.87,-11.86,;62.54,-11.09,;62.55,-9.55,;63.89,-8.79,;65.21,-9.56,;65.21,-11.1,;63.89,-7.25,;62.57,-6.47,;61.23,-7.23,;62.57,-4.93,;63.82,-4.03,;63.35,-2.56,;61.81,-2.56,;61.33,-4.02,;62.53,-14.19,)| Show InChI InChI=1S/C19H26N4O2/c1-11-17-15(10-16(24)21-18(17)23-22-11)12-6-8-14(9-7-12)20-19(25)13-4-2-3-5-13/h10,12-14H,2-9H2,1H3,(H,20,25)(H2,21,22,23,24)/t12-,14-	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	1.60E+3	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))	BDBM50539830 (CHEMBL4632897) Show SMILES Cc1[nH]nc2[nH]c(=O)cc([C@H]3CC[C@@H](CC3)NC(=O)C3CCCC3)c12 |r,wU:10.9,wD:13.16,(60.58,-12.25,;61.06,-13.71,;60.14,-14.96,;61.06,-16.21,;62.53,-15.73,;63.86,-16.49,;65.19,-15.73,;66.53,-16.5,;65.19,-14.19,;63.86,-13.4,;63.87,-11.86,;62.54,-11.09,;62.55,-9.55,;63.89,-8.79,;65.21,-9.56,;65.21,-11.1,;63.89,-7.25,;62.57,-6.47,;61.23,-7.23,;62.57,-4.93,;63.82,-4.03,;63.35,-2.56,;61.81,-2.56,;61.33,-4.02,;62.53,-14.19,)| Show InChI InChI=1S/C19H26N4O2/c1-11-17-15(10-16(24)21-18(17)23-22-11)12-6-8-14(9-7-12)20-19(25)13-4-2-3-5-13/h10,12-14H,2-9H2,1H3,(H,20,25)(H2,21,22,23,24)/t12-,14-	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	>3.00E+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))	BDBM50539830 (CHEMBL4632897) Show SMILES Cc1[nH]nc2[nH]c(=O)cc([C@H]3CC[C@@H](CC3)NC(=O)C3CCCC3)c12 |r,wU:10.9,wD:13.16,(60.58,-12.25,;61.06,-13.71,;60.14,-14.96,;61.06,-16.21,;62.53,-15.73,;63.86,-16.49,;65.19,-15.73,;66.53,-16.5,;65.19,-14.19,;63.86,-13.4,;63.87,-11.86,;62.54,-11.09,;62.55,-9.55,;63.89,-8.79,;65.21,-9.56,;65.21,-11.1,;63.89,-7.25,;62.57,-6.47,;61.23,-7.23,;62.57,-4.93,;63.82,-4.03,;63.35,-2.56,;61.81,-2.56,;61.33,-4.02,;62.53,-14.19,)| Show InChI InChI=1S/C19H26N4O2/c1-11-17-15(10-16(24)21-18(17)23-22-11)12-6-8-14(9-7-12)20-19(25)13-4-2-3-5-13/h10,12-14H,2-9H2,1H3,(H,20,25)(H2,21,22,23,24)/t12-,14-	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	6.80E+3	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))	BDBM50539830 (CHEMBL4632897) Show SMILES Cc1[nH]nc2[nH]c(=O)cc([C@H]3CC[C@@H](CC3)NC(=O)C3CCCC3)c12 |r,wU:10.9,wD:13.16,(60.58,-12.25,;61.06,-13.71,;60.14,-14.96,;61.06,-16.21,;62.53,-15.73,;63.86,-16.49,;65.19,-15.73,;66.53,-16.5,;65.19,-14.19,;63.86,-13.4,;63.87,-11.86,;62.54,-11.09,;62.55,-9.55,;63.89,-8.79,;65.21,-9.56,;65.21,-11.1,;63.89,-7.25,;62.57,-6.47,;61.23,-7.23,;62.57,-4.93,;63.82,-4.03,;63.35,-2.56,;61.81,-2.56,;61.33,-4.02,;62.53,-14.19,)| Show InChI InChI=1S/C19H26N4O2/c1-11-17-15(10-16(24)21-18(17)23-22-11)12-6-8-14(9-7-12)20-19(25)13-4-2-3-5-13/h10,12-14H,2-9H2,1H3,(H,20,25)(H2,21,22,23,24)/t12-,14-	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	9.10E+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))	BDBM50539830 (CHEMBL4632897) Show SMILES Cc1[nH]nc2[nH]c(=O)cc([C@H]3CC[C@@H](CC3)NC(=O)C3CCCC3)c12 |r,wU:10.9,wD:13.16,(60.58,-12.25,;61.06,-13.71,;60.14,-14.96,;61.06,-16.21,;62.53,-15.73,;63.86,-16.49,;65.19,-15.73,;66.53,-16.5,;65.19,-14.19,;63.86,-13.4,;63.87,-11.86,;62.54,-11.09,;62.55,-9.55,;63.89,-8.79,;65.21,-9.56,;65.21,-11.1,;63.89,-7.25,;62.57,-6.47,;61.23,-7.23,;62.57,-4.93,;63.82,-4.03,;63.35,-2.56,;61.81,-2.56,;61.33,-4.02,;62.53,-14.19,)| Show InChI InChI=1S/C19H26N4O2/c1-11-17-15(10-16(24)21-18(17)23-22-11)12-6-8-14(9-7-12)20-19(25)13-4-2-3-5-13/h10,12-14H,2-9H2,1H3,(H,20,25)(H2,21,22,23,24)/t12-,14-	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	4.80E+3	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