BDBM50173987 (9-Carbamoyl-4-{4-[2-(3,4-difluoro-phenyl)-ethyl]-piperazin-1-yl}-pyrimido[5,4-b]indol-5-yl)-acetic acid ethyl ester::CHEMBL197824

SMILES: CCOC(=O)Cn1c2cccc(C(N)=O)c2c2ncnc(N3CCN(CCc4ccc(F)c(F)c4)CC3)c12

InChI Key: InChIKey=IIYLHXDBXNFGRZ-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 = 50173987   

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
Multidrug resistance protein 1/Multidrug resistance associated protein 1 (Homo sapiens (Human))	BDBM50173987 ((9-Carbamoyl-4-{4-[2-(3,4-difluoro-phenyl)-ethyl]-...) Show SMILES CCOC(=O)Cn1c2cccc(C(N)=O)c2c2ncnc(N3CCN(CCc4ccc(F)c(F)c4)CC3)c12 Show InChI InChI=1S/C27H28F2N6O3/c1-2-38-22(36)15-35-21-5-3-4-18(26(30)37)23(21)24-25(35)27(32-16-31-24)34-12-10-33(11-13-34)9-8-17-6-7-19(28)20(29)14-17/h3-7,14,16H,2,8-13,15H2,1H3,(H2,30,37)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	122	n/a	n/a	n/a	n/a	n/a	n/a
Rheinische Friedrich-Wilhelms-University of Bonn Curated by ChEMBL					Assay Description Inhibition of MRP1 in human COR-L23/R cells assessed reduction in tritiated daunomycin efflux incubated for 2 hrs by radioactivity-based assay				J Med Chem 62: 4383-4400 (2019) Article DOI: 10.1021/acs.jmedchem.8b01821
					More data for this Ligand-Target Pair
Multidrug resistance protein 1/Multidrug resistance associated protein 1 (Homo sapiens (Human))	BDBM50173987 ((9-Carbamoyl-4-{4-[2-(3,4-difluoro-phenyl)-ethyl]-...) Show SMILES CCOC(=O)Cn1c2cccc(C(N)=O)c2c2ncnc(N3CCN(CCc4ccc(F)c(F)c4)CC3)c12 Show InChI InChI=1S/C27H28F2N6O3/c1-2-38-22(36)15-35-21-5-3-4-18(26(30)37)23(21)24-25(35)27(32-16-31-24)34-12-10-33(11-13-34)9-8-17-6-7-19(28)20(29)14-17/h3-7,14,16H,2,8-13,15H2,1H3,(H2,30,37)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	<250	n/a	n/a	n/a	n/a	n/a	n/a
M.D. University Curated by ChEMBL					Assay Description Inhibitory concentration against multidrug resistance associated protein 1				Bioorg Med Chem Lett 15: 4967-72 (2005) Article DOI: 10.1016/j.bmcl.2005.08.011 BindingDB Entry DOI: 10.7270/Q2X34X15
					More data for this Ligand-Target Pair