BindingDB PrimarySearch

BDBM50300196 10-(4-hydroxyphenyl)-8,13,15-triazatetracyclo[9.6.1.0^{2,7}.0^{14,18}]octadeca-1(18),2(7),3,5,11,14,16-heptaen-9-one::CHEMBL584052::atropisomer 1::atropisomer 2

SMILES: Oc1ccc(cc1)C1c2c[nH]c3nccc(-c4ccccc4NC1=O)c23

InChI Key: InChIKey=LGIBDQRYOFBMTC-UHFFFAOYSA-N

Data: 6 KI 2 IC50

PDB links: 1 PDB ID matches this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 50300196
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50300196 (10-(4-hydroxyphenyl)-8,13,15-triazatetracyclo[9.6....) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents	PDB Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant JAK2				J Med Chem 52: 7938-41 (2009) Checked by Author Article DOI: 10.1021/jm901383u BindingDB Entry DOI: 10.7270/Q2GF0TK0
Vertex Pharmaceuticals Inc. Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM50300196 (10-(4-hydroxyphenyl)-8,13,15-triazatetracyclo[9.6....) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents	Article PubMed	5.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant JAK3				J Med Chem 52: 7938-41 (2009) Checked by Author Article DOI: 10.1021/jm901383u BindingDB Entry DOI: 10.7270/Q2GF0TK0
Vertex Pharmaceuticals Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM50300196 (10-(4-hydroxyphenyl)-8,13,15-triazatetracyclo[9.6....) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents	Article PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant JAK3				J Med Chem 52: 7938-41 (2009) Checked by Author Article DOI: 10.1021/jm901383u BindingDB Entry DOI: 10.7270/Q2GF0TK0
Vertex Pharmaceuticals Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50300196 (10-(4-hydroxyphenyl)-8,13,15-triazatetracyclo[9.6....) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents	Article PubMed	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of ALK				J Med Chem 52: 7938-41 (2009) Checked by Author Article DOI: 10.1021/jm901383u BindingDB Entry DOI: 10.7270/Q2GF0TK0
Vertex Pharmaceuticals Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
Mast/stem cell growth factor receptor Kit (Homo sapiens (Human))	BDBM50300196 (10-(4-hydroxyphenyl)-8,13,15-triazatetracyclo[9.6....) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents	Article PubMed	190	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of cKit				J Med Chem 52: 7938-41 (2009) Checked by Author Article DOI: 10.1021/jm901383u BindingDB Entry DOI: 10.7270/Q2GF0TK0
Vertex Pharmaceuticals Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 2 (Homo sapiens (Human))	BDBM50300196 (10-(4-hydroxyphenyl)-8,13,15-triazatetracyclo[9.6....) Show SMILES Show InChI	MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents	Article PubMed	340	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of GCK				J Med Chem 52: 7938-41 (2009) Checked by Author Article DOI: 10.1021/jm901383u BindingDB Entry DOI: 10.7270/Q2GF0TK0
Vertex Pharmaceuticals Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM50300196 (10-(4-hydroxyphenyl)-8,13,15-triazatetracyclo[9.6....) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	1.53E+3	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of JAK3 in human HT2 cells assessed as inhibition of IL2-induced STAT5 phosphorylation by flow cytometry				J Med Chem 52: 7938-41 (2009) Checked by Author Article DOI: 10.1021/jm901383u BindingDB Entry DOI: 10.7270/Q2GF0TK0
Vertex Pharmaceuticals Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50300196 (10-(4-hydroxyphenyl)-8,13,15-triazatetracyclo[9.6....) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents	PDB Article PubMed	n/a	n/a	270	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of JAK2 in human TF1 cells assessed as inhibition of GMCSF-induced STAT5 phosphorylation by flow cytometry				J Med Chem 52: 7938-41 (2009) Checked by Author Article DOI: 10.1021/jm901383u BindingDB Entry DOI: 10.7270/Q2GF0TK0
Vertex Pharmaceuticals Inc. Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)