BDBM50466801 CHEMBL4286522

SMILES: C[C@H]1Oc2cc(cnc2N)-c2c(C)[nH][n+](C)c2CN(C)C(=O)c2ccc(F)cc12

InChI Key: InChIKey=ASQDMAQHZGURLM-GFCCVEGCSA-O

Data: 2 KI  2 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 4 hits for monomerid = 50466801   

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))	BDBM50466801 (CHEMBL4286522) Show SMILES C[C@H]1Oc2cc(cnc2N)-c2c(C)[nH][n+](C)c2CN(C)C(=O)c2ccc(F)cc12 |r| Show InChI InChI=1S/C21H22FN5O2/c1-11-19-13-7-18(20(23)24-9-13)29-12(2)16-8-14(22)5-6-15(16)21(28)26(3)10-17(19)27(4)25-11/h5-9,12H,10H2,1-4H3,(H2,23,24)/p+1/t12-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	<0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Taibah University Curated by ChEMBL					Assay Description Inhibition of ALK (unknown origin)				Eur J Med Chem 134: 348-356 (2017) Article DOI: 10.1016/j.ejmech.2017.04.032 BindingDB Entry DOI: 10.7270/Q2154KR2
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50466801 (CHEMBL4286522) Show SMILES C[C@H]1Oc2cc(cnc2N)-c2c(C)[nH][n+](C)c2CN(C)C(=O)c2ccc(F)cc12 |r| Show InChI InChI=1S/C21H22FN5O2/c1-11-19-13-7-18(20(23)24-9-13)29-12(2)16-8-14(22)5-6-15(16)21(28)26(3)10-17(19)27(4)25-11/h5-9,12H,10H2,1-4H3,(H2,23,24)/p+1/t12-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.290	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Taibah University Curated by ChEMBL					Assay Description Inhibition of L1196M mutant (unknown origin)				Eur J Med Chem 134: 348-356 (2017) Article DOI: 10.1016/j.ejmech.2017.04.032 BindingDB Entry DOI: 10.7270/Q2154KR2
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor/Echinoderm microtubule-associated protein-like 4 (Homo sapiens (Human))	BDBM50466801 (CHEMBL4286522) Show SMILES C[C@H]1Oc2cc(cnc2N)-c2c(C)[nH][n+](C)c2CN(C)C(=O)c2ccc(F)cc12 |r| Show InChI InChI=1S/C21H22FN5O2/c1-11-19-13-7-18(20(23)24-9-13)29-12(2)16-8-14(22)5-6-15(16)21(28)26(3)10-17(19)27(4)25-11/h5-9,12H,10H2,1-4H3,(H2,23,24)/p+1/t12-/m1/s1	PDB UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Taibah University Curated by ChEMBL					Assay Description Inhibition of wild type EML4/ALK L1196M mutant (unknown origin) expressed in NIH/3T3 cells				Eur J Med Chem 134: 348-356 (2017) Article DOI: 10.1016/j.ejmech.2017.04.032 BindingDB Entry DOI: 10.7270/Q2154KR2
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor/Echinoderm microtubule-associated protein-like 4 (Homo sapiens (Human))	BDBM50466801 (CHEMBL4286522) Show SMILES C[C@H]1Oc2cc(cnc2N)-c2c(C)[nH][n+](C)c2CN(C)C(=O)c2ccc(F)cc12 |r| Show InChI InChI=1S/C21H22FN5O2/c1-11-19-13-7-18(20(23)24-9-13)29-12(2)16-8-14(22)5-6-15(16)21(28)26(3)10-17(19)27(4)25-11/h5-9,12H,10H2,1-4H3,(H2,23,24)/p+1/t12-/m1/s1	PDB UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
Taibah University Curated by ChEMBL					Assay Description Inhibition of wild type EML4/ALK (unknown origin) expressed in NIH/3T3 cells				Eur J Med Chem 134: 348-356 (2017) Article DOI: 10.1016/j.ejmech.2017.04.032 BindingDB Entry DOI: 10.7270/Q2154KR2
					More data for this Ligand-Target Pair