BDBM50505818 CHEMBL4461809

SMILES: CC(C)n1cc(cn1)-c1nc(Nc2ccc(N3CCC(CC3)N(C)CCN3CCN(C)CC3)c(F)c2)ncc1C

InChI Key: InChIKey=LSQUYRAAQZRGAQ-UHFFFAOYSA-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 = 50505818   

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 JAK3 (Homo sapiens (Human))	BDBM50505818 (CHEMBL4461809) Show SMILES CC(C)n1cc(cn1)-c1nc(Nc2ccc(N3CCC(CC3)N(C)CCN3CCN(C)CC3)c(F)c2)ncc1C Show InChI InChI=1S/C30H44FN9/c1-22(2)40-21-24(20-33-40)29-23(3)19-32-30(35-29)34-25-6-7-28(27(31)18-25)39-10-8-26(9-11-39)37(5)14-17-38-15-12-36(4)13-16-38/h6-7,18-22,26H,8-17H2,1-5H3,(H,32,34,35)	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	103	n/a	n/a	n/a	n/a	n/a	n/a
West China Hospital of Sichuan University Curated by ChEMBL					Assay Description Inhibition of human JAK3 (781 to end residues) using GGEEEEYFELVKK as substrate after 40 mins in presence of [gamma33P]-ATP by scintillation counting...				J Med Chem 62: 10305-10320 (2019) Article DOI: 10.1021/acs.jmedchem.9b01348
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50505818 (CHEMBL4461809) Show SMILES CC(C)n1cc(cn1)-c1nc(Nc2ccc(N3CCC(CC3)N(C)CCN3CCN(C)CC3)c(F)c2)ncc1C Show InChI InChI=1S/C30H44FN9/c1-22(2)40-21-24(20-33-40)29-23(3)19-32-30(35-29)34-25-6-7-28(27(31)18-25)39-10-8-26(9-11-39)37(5)14-17-38-15-12-36(4)13-16-38/h6-7,18-22,26H,8-17H2,1-5H3,(H,32,34,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
West China Hospital of Sichuan University Curated by ChEMBL					Assay Description Inhibition of CYP3A4 (unknown origin)				J Med Chem 62: 10305-10320 (2019) Article DOI: 10.1021/acs.jmedchem.9b01348
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM50505818 (CHEMBL4461809) Show SMILES CC(C)n1cc(cn1)-c1nc(Nc2ccc(N3CCC(CC3)N(C)CCN3CCN(C)CC3)c(F)c2)ncc1C Show InChI InChI=1S/C30H44FN9/c1-22(2)40-21-24(20-33-40)29-23(3)19-32-30(35-29)34-25-6-7-28(27(31)18-25)39-10-8-26(9-11-39)37(5)14-17-38-15-12-36(4)13-16-38/h6-7,18-22,26H,8-17H2,1-5H3,(H,32,34,35)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
West China Hospital of Sichuan University Curated by ChEMBL					Assay Description Inhibition of human FLT3 (564 to end residues) using EAIYAAPFAKKK as substrate after 40 mins in presence of [gamma33P]-ATP by scintillation counting ...				J Med Chem 62: 10305-10320 (2019) Article DOI: 10.1021/acs.jmedchem.9b01348
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50505818 (CHEMBL4461809) Show SMILES CC(C)n1cc(cn1)-c1nc(Nc2ccc(N3CCC(CC3)N(C)CCN3CCN(C)CC3)c(F)c2)ncc1C Show InChI InChI=1S/C30H44FN9/c1-22(2)40-21-24(20-33-40)29-23(3)19-32-30(35-29)34-25-6-7-28(27(31)18-25)39-10-8-26(9-11-39)37(5)14-17-38-15-12-36(4)13-16-38/h6-7,18-22,26H,8-17H2,1-5H3,(H,32,34,35)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
West China Hospital of Sichuan University Curated by ChEMBL					Assay Description Inhibition of human JAK2 (808 to end residues) using KTFCGTPEYLAP as substrate after 40 mins in presence of [gamma33P]-ATP by scintillation counting ...				J Med Chem 62: 10305-10320 (2019) Article DOI: 10.1021/acs.jmedchem.9b01348
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM50505818 (CHEMBL4461809) Show SMILES CC(C)n1cc(cn1)-c1nc(Nc2ccc(N3CCC(CC3)N(C)CCN3CCN(C)CC3)c(F)c2)ncc1C Show InChI InChI=1S/C30H44FN9/c1-22(2)40-21-24(20-33-40)29-23(3)19-32-30(35-29)34-25-6-7-28(27(31)18-25)39-10-8-26(9-11-39)37(5)14-17-38-15-12-36(4)13-16-38/h6-7,18-22,26H,8-17H2,1-5H3,(H,32,34,35)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	121	n/a	n/a	n/a	n/a	n/a	n/a
West China Hospital of Sichuan University Curated by ChEMBL					Assay Description Inhibition of human JAK1 (866 to end residues) GEEPLYWSFPAKK as substrate after 40 mins in presence of [gamma33P]-ATP by scintillation counting based...				J Med Chem 62: 10305-10320 (2019) Article DOI: 10.1021/acs.jmedchem.9b01348
					More data for this Ligand-Target Pair