BDBM50493264 CHEMBL1824506

SMILES: Cl.COc1ccc(cc1)N(C)c1nc(C)nc2CC(C)Cc12

InChI Key: InChIKey=NDXKJZRXESTNKZ-UHFFFAOYSA-N

Data: 3 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 = 50493264   

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
Tubulin beta-3 chain (Homo sapiens)	BDBM50493264 (CHEMBL1824506) Show SMILES Cl.COc1ccc(cc1)N(C)c1nc(C)nc2CC(C)Cc12 Show InChI InChI=1S/C17H21N3O.ClH/c1-11-9-15-16(10-11)18-12(2)19-17(15)20(3)13-5-7-14(21-4)8-6-13;/h5-8,11H,9-10H2,1-4H3;1H	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition of beta3 tubulin overexpressed in human HeLa cells after 48 hrs by SRB assay				J Med Chem 56: 6829-44 (2013) Article DOI: 10.1021/jm400639z BindingDB Entry DOI: 10.7270/Q2Z60S0W
					More data for this Ligand-Target Pair
Multidrug resistance protein 1/Multidrug resistance associated protein 1 (Homo sapiens (Human))	BDBM50493264 (CHEMBL1824506) Show SMILES Cl.COc1ccc(cc1)N(C)c1nc(C)nc2CC(C)Cc12 Show InChI InChI=1S/C17H21N3O.ClH/c1-11-9-15-16(10-11)18-12(2)19-17(15)20(3)13-5-7-14(21-4)8-6-13;/h5-8,11H,9-10H2,1-4H3;1H	PDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	44	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition of p-gp overexpressed in human SKOV3/M6-6 isogenic cells after 48 hrs by sulforhodamine B assay				J Med Chem 56: 6829-44 (2013) Article DOI: 10.1021/jm400639z BindingDB Entry DOI: 10.7270/Q2Z60S0W
					More data for this Ligand-Target Pair
Tubulin beta chain (Sus scrofa)	BDBM50493264 (CHEMBL1824506) Show SMILES Cl.COc1ccc(cc1)N(C)c1nc(C)nc2CC(C)Cc12 Show InChI InChI=1S/C17H21N3O.ClH/c1-11-9-15-16(10-11)18-12(2)19-17(15)20(3)13-5-7-14(21-4)8-6-13;/h5-8,11H,9-10H2,1-4H3;1H	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition of pig brain tubulin assembly preincubated for 15 mins followed by GTP addition measured after 20 mins by spectrophotometric analysis in p...				J Med Chem 56: 6829-44 (2013) Article DOI: 10.1021/jm400639z BindingDB Entry DOI: 10.7270/Q2Z60S0W
					More data for this Ligand-Target Pair