BDBM50195542 CHEMBL3895919

SMILES: COc1cc(cc(I)c1OC)C1CC(=NN1C(C)=O)c1ccc2ccccc2c1

InChI Key: InChIKey=IHRXWJARGIHPPB-UHFFFAOYSA-N

Data: 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 2 hits for monomerid = 50195542   

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
ATP-binding cassette sub-family G member 2 (Homo sapiens (Human))	BDBM50195542 (CHEMBL3895919) Show SMILES COc1cc(cc(I)c1OC)C1CC(=NN1C(C)=O)c1ccc2ccccc2c1 |c:14| Show InChI InChI=1S/C23H21IN2O3/c1-14(27)26-21(18-11-19(24)23(29-3)22(12-18)28-2)13-20(25-26)17-9-8-15-6-4-5-7-16(15)10-17/h4-12,21H,13H2,1-3H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.10E+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
P-glycoprotein 1 (Homo sapiens (Human))	BDBM50195542 (CHEMBL3895919) Show SMILES COc1cc(cc(I)c1OC)C1CC(=NN1C(C)=O)c1ccc2ccccc2c1 |c:14| Show InChI InChI=1S/C23H21IN2O3/c1-14(27)26-21(18-11-19(24)23(29-3)22(12-18)28-2)13-20(25-26)17-9-8-15-6-4-5-7-16(15)10-17/h4-12,21H,13H2,1-3H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.63E+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