BDBM50505820 CHEMBL4436572

SMILES: CCCCN(C)C1CCN(CC1)c1ccc(Nc2ncc(C)c(n2)-c2cnn(c2)C(C)C)cc1F

InChI Key: InChIKey=RCZNPCWYCXMLFZ-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 = 50505820   

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
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50505820 (CHEMBL4436572) Show SMILES CCCCN(C)C1CCN(CC1)c1ccc(Nc2ncc(C)c(n2)-c2cnn(c2)C(C)C)cc1F Show InChI InChI=1S/C27H38FN7/c1-6-7-12-33(5)23-10-13-34(14-11-23)25-9-8-22(15-24(25)28)31-27-29-16-20(4)26(32-27)21-17-30-35(18-21)19(2)3/h8-9,15-19,23H,6-7,10-14H2,1-5H3,(H,29,31,32)	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
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM50505820 (CHEMBL4436572) Show SMILES CCCCN(C)C1CCN(CC1)c1ccc(Nc2ncc(C)c(n2)-c2cnn(c2)C(C)C)cc1F Show InChI InChI=1S/C27H38FN7/c1-6-7-12-33(5)23-10-13-34(14-11-23)25-9-8-22(15-24(25)28)31-27-29-16-20(4)26(32-27)21-17-30-35(18-21)19(2)3/h8-9,15-19,23H,6-7,10-14H2,1-5H3,(H,29,31,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	76	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
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM50505820 (CHEMBL4436572) Show SMILES CCCCN(C)C1CCN(CC1)c1ccc(Nc2ncc(C)c(n2)-c2cnn(c2)C(C)C)cc1F Show InChI InChI=1S/C27H38FN7/c1-6-7-12-33(5)23-10-13-34(14-11-23)25-9-8-22(15-24(25)28)31-27-29-16-20(4)26(32-27)21-17-30-35(18-21)19(2)3/h8-9,15-19,23H,6-7,10-14H2,1-5H3,(H,29,31,32)	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	39	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
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM50505820 (CHEMBL4436572) Show SMILES CCCCN(C)C1CCN(CC1)c1ccc(Nc2ncc(C)c(n2)-c2cnn(c2)C(C)C)cc1F Show InChI InChI=1S/C27H38FN7/c1-6-7-12-33(5)23-10-13-34(14-11-23)25-9-8-22(15-24(25)28)31-27-29-16-20(4)26(32-27)21-17-30-35(18-21)19(2)3/h8-9,15-19,23H,6-7,10-14H2,1-5H3,(H,29,31,32)	PDB MMDB 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
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))	BDBM50505820 (CHEMBL4436572) Show SMILES CCCCN(C)C1CCN(CC1)c1ccc(Nc2ncc(C)c(n2)-c2cnn(c2)C(C)C)cc1F Show InChI InChI=1S/C27H38FN7/c1-6-7-12-33(5)23-10-13-34(14-11-23)25-9-8-22(15-24(25)28)31-27-29-16-20(4)26(32-27)21-17-30-35(18-21)19(2)3/h8-9,15-19,23H,6-7,10-14H2,1-5H3,(H,29,31,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2	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