BDBM50018841 CHEMBL3286831

SMILES: C[C@H]1Oc2cc(cnc2N)-c2c(CN(C)C(=O)c3ccc(F)cc13)nc1ncc(C)cn21

InChI Key: InChIKey=LOLWMDGFTABZFN-CYBMUJFWSA-N

Data: 2 KI  1 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 = 50018841   

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
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50018841 (CHEMBL3286831) Show SMILES C[C@H]1Oc2cc(cnc2N)-c2c(CN(C)C(=O)c3ccc(F)cc13)nc1ncc(C)cn21 |r| Show InChI InChI=1S/C23H21FN6O2/c1-12-8-27-23-28-18-11-29(3)22(31)16-5-4-15(24)7-17(16)13(2)32-19-6-14(9-26-21(19)25)20(18)30(23)10-12/h4-10,13H,11H2,1-3H3,(H2,25,26)/t13-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant ALK L1196M mutant kinase domain (amino acids 1093 to 1141) expressed in baculovirus system using 5'FAM-KKSRGDYMTMQIG-...				J Med Chem 57: 4720-44 (2014) Article DOI: 10.1021/jm500261q BindingDB Entry DOI: 10.7270/Q2K35W68
					More data for this Ligand-Target Pair
BDNF/NT-3 growth factors receptor (Homo sapiens (Human))	BDBM50018841 (CHEMBL3286831) Show SMILES C[C@H]1Oc2cc(cnc2N)-c2c(CN(C)C(=O)c3ccc(F)cc13)nc1ncc(C)cn21 |r| Show InChI InChI=1S/C23H21FN6O2/c1-12-8-27-23-28-18-11-29(3)22(31)16-5-4-15(24)7-17(16)13(2)32-19-6-14(9-26-21(19)25)20(18)30(23)10-12/h4-10,13H,11H2,1-3H3,(H2,25,26)/t13-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	77	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of TRKB (unknown origin) by off-chip mobility shift assay				J Med Chem 57: 4720-44 (2014) Article DOI: 10.1021/jm500261q BindingDB Entry DOI: 10.7270/Q2K35W68
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50018841 (CHEMBL3286831) Show SMILES C[C@H]1Oc2cc(cnc2N)-c2c(CN(C)C(=O)c3ccc(F)cc13)nc1ncc(C)cn21 |r| Show InChI InChI=1S/C23H21FN6O2/c1-12-8-27-23-28-18-11-29(3)22(31)16-5-4-15(24)7-17(16)13(2)32-19-6-14(9-26-21(19)25)20(18)30(23)10-12/h4-10,13H,11H2,1-3H3,(H2,25,26)/t13-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	365	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human EML4-fused ALK L1196M mutant expressed in mouse NIH-3T3 cells assessed as phospho-ALK level after 1 hr by sandwich ELISA				J Med Chem 57: 4720-44 (2014) Article DOI: 10.1021/jm500261q BindingDB Entry DOI: 10.7270/Q2K35W68
					More data for this Ligand-Target Pair