BDBM50500540 CHEMBL3747767

SMILES: [H][C@@]12Cc3c([nH]c4ccccc34)[C@H](CC(C)C)N1C(=O)[C@H](CCC(O)=O)NC2=O

InChI Key: InChIKey=ZABODVDQHQNZFF-ULQDDVLXSA-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 = 50500540   

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))	BDBM50500540 (CHEMBL3747767) Show SMILES [H][C@@]12Cc3c([nH]c4ccccc34)[C@H](CC(C)C)N1C(=O)[C@H](CCC(O)=O)NC2=O |r| Show InChI InChI=1S/C21H25N3O4/c1-11(2)9-16-19-13(12-5-3-4-6-14(12)22-19)10-17-20(27)23-15(7-8-18(25)26)21(28)24(16)17/h3-6,11,15-17,22H,7-10H2,1-2H3,(H,23,27)(H,25,26)/t15-,16-,17-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceuticals International Co. Curated by ChEMBL					Assay Description Inhibition of BCRP in human Caco2 cells using 3H-Estron-3-sulfate as substrate measured at 30 to 120 mins by microplate scintillation and luminescenc...				Bioorg Med Chem Lett 26: 551-555 (2016) Article DOI: 10.1016/j.bmcl.2015.11.077 BindingDB Entry DOI: 10.7270/Q2HX1GPQ
					More data for this Ligand-Target Pair
ATP-binding cassette sub-family G member 2 (Homo sapiens (Human))	BDBM50500540 (CHEMBL3747767) Show SMILES [H][C@@]12Cc3c([nH]c4ccccc34)[C@H](CC(C)C)N1C(=O)[C@H](CCC(O)=O)NC2=O |r| Show InChI InChI=1S/C21H25N3O4/c1-11(2)9-16-19-13(12-5-3-4-6-14(12)22-19)10-17-20(27)23-15(7-8-18(25)26)21(28)24(16)17/h3-6,11,15-17,22H,7-10H2,1-2H3,(H,23,27)(H,25,26)/t15-,16-,17-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	230	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceuticals International Co. Curated by ChEMBL					Assay Description Inhibition of BCRP in human Caco2 cells using 3H-Estron-3-sulfate as substrate assessed as Ko143 IC50 measured at 30 to 120 mins by microplate scinti...				Bioorg Med Chem Lett 26: 551-555 (2016) Article DOI: 10.1016/j.bmcl.2015.11.077 BindingDB Entry DOI: 10.7270/Q2HX1GPQ
					More data for this Ligand-Target Pair