BDBM50195543 CHEMBL2236206

SMILES: COc1cc(\C=C\C(=O)c2ccc3ccccc3c2)cc(OC)c1OC

InChI Key: InChIKey=CHKCKZJOXKQZMG-DHZHZOJOSA-N

Data: 4 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 = 50195543   

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
P-glycoprotein 1 (Homo sapiens (Human))	BDBM50195543 (CHEMBL2236206) Show SMILES COc1cc(\C=C\C(=O)c2ccc3ccccc3c2)cc(OC)c1OC Show InChI InChI=1S/C22H20O4/c1-24-20-12-15(13-21(25-2)22(20)26-3)8-11-19(23)18-10-9-16-6-4-5-7-17(16)14-18/h4-14H,1-3H3/b11-8+	PDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
University Bayreuth Curated by ChEMBL					Assay Description Inhibition of P-gp in human KB-V1/Vbl cells assessed as calcein-AM accumulation preincubated for 15 mins followed by calcein-AM addition measured aft...				Bioorg Med Chem Lett 26: 5168-5171 (2016) Article DOI: 10.1016/j.bmcl.2016.09.076 BindingDB Entry DOI: 10.7270/Q21V5GXB
					More data for this Ligand-Target Pair
Trophozoite cysteine proteinase (Plasmodium falciparum)	BDBM50195543 (CHEMBL2236206) Show SMILES COc1cc(\C=C\C(=O)c2ccc3ccccc3c2)cc(OC)c1OC Show InChI InChI=1S/C22H20O4/c1-24-20-12-15(13-21(25-2)22(20)26-3)8-11-19(23)18-10-9-16-6-4-5-7-17(16)14-18/h4-14H,1-3H3/b11-8+	KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	6.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Plasmodium falciparum W2 cysteine protease				Citation and Details Article DOI: 10.1007/s00044-011-9900-1 BindingDB Entry DOI: 10.7270/Q2TX3J78
					More data for this Ligand-Target Pair
Trophozoite cysteine proteinase (Plasmodium falciparum)	BDBM50195543 (CHEMBL2236206) Show SMILES COc1cc(\C=C\C(=O)c2ccc3ccccc3c2)cc(OC)c1OC Show InChI InChI=1S/C22H20O4/c1-24-20-12-15(13-21(25-2)22(20)26-3)8-11-19(23)18-10-9-16-6-4-5-7-17(16)14-18/h4-14H,1-3H3/b11-8+	KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	6.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Plasmodium falciparum W2 cysteine protease				Citation and Details Article DOI: 10.1007/s00044-011-9900-1 BindingDB Entry DOI: 10.7270/Q2TX3J78
					More data for this Ligand-Target Pair
ATP-binding cassette sub-family G member 2 (Homo sapiens (Human))	BDBM50195543 (CHEMBL2236206) Show SMILES COc1cc(\C=C\C(=O)c2ccc3ccccc3c2)cc(OC)c1OC Show InChI InChI=1S/C22H20O4/c1-24-20-12-15(13-21(25-2)22(20)26-3)8-11-19(23)18-10-9-16-6-4-5-7-17(16)14-18/h4-14H,1-3H3/b11-8+	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
University Bayreuth Curated by ChEMBL					Assay Description Inhibition of BCRP in human MCF7/Topo cells assessed as mitoxantrone accumulation preincubated for 10 mins followed by mitoxantrone addition measured...				Bioorg Med Chem Lett 26: 5168-5171 (2016) Article DOI: 10.1016/j.bmcl.2016.09.076 BindingDB Entry DOI: 10.7270/Q21V5GXB
					More data for this Ligand-Target Pair