BDBM50463841 CHEMBL4241916

SMILES: [H][C@]12CC[C@]([H])(C1)[C@@H](C2)Nc1c(cnc2[nH]ccc12)C(N)=O

InChI Key: InChIKey=CSAPHEIHSQPMAC-YGOYTEALSA-N

Data: 3 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 3 hits for monomerid = 50463841   

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))	BDBM50463841 (CHEMBL4241916) Show SMILES [H][C@]12CC[C@]([H])(C1)[C@@H](C2)Nc1c(cnc2[nH]ccc12)C(N)=O |r| Show InChI InChI=1S/C15H18N4O/c16-14(20)11-7-18-15-10(3-4-17-15)13(11)19-12-6-8-1-2-9(12)5-8/h3-4,7-9,12H,1-2,5-6H2,(H2,16,20)(H2,17,18,19)/t8-,9+,12+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal GST-tagged JAK1 catalytic domain (850 to 1154 residues) expressed in baculovirus expression system using B...				Bioorg Med Chem 26: 4971-4983 (2018) Article DOI: 10.1016/j.bmc.2018.08.005 BindingDB Entry DOI: 10.7270/Q2Z89G3M
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM50463841 (CHEMBL4241916) Show SMILES [H][C@]12CC[C@]([H])(C1)[C@@H](C2)Nc1c(cnc2[nH]ccc12)C(N)=O |r| Show InChI InChI=1S/C15H18N4O/c16-14(20)11-7-18-15-10(3-4-17-15)13(11)19-12-6-8-1-2-9(12)5-8/h3-4,7-9,12H,1-2,5-6H2,(H2,16,20)(H2,17,18,19)/t8-,9+,12+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.20	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal His-tagged JAK3 catalytic domain (795 to 1124 residues) expressed in baculovirus expression system using B...				Bioorg Med Chem 26: 4971-4983 (2018) Article DOI: 10.1016/j.bmc.2018.08.005 BindingDB Entry DOI: 10.7270/Q2Z89G3M
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50463841 (CHEMBL4241916) Show SMILES [H][C@]12CC[C@]([H])(C1)[C@@H](C2)Nc1c(cnc2[nH]ccc12)C(N)=O |r| Show InChI InChI=1S/C15H18N4O/c16-14(20)11-7-18-15-10(3-4-17-15)13(11)19-12-6-8-1-2-9(12)5-8/h3-4,7-9,12H,1-2,5-6H2,(H2,16,20)(H2,17,18,19)/t8-,9+,12+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal His-tagged JAK2 catalytic domain (826 to 1132 residues) expressed in baculovirus expression system using B...				Bioorg Med Chem 26: 4971-4983 (2018) Article DOI: 10.1016/j.bmc.2018.08.005 BindingDB Entry DOI: 10.7270/Q2Z89G3M
					More data for this Ligand-Target Pair