BDBM50512896 CHEMBL4434808

SMILES: Cc1nc2cc(NC(=O)C3CCCN(C3)c3cc(ncn3)-n3cccn3)ccc2s1

InChI Key: InChIKey=YVMMSDYPZRTEQW-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 = 50512896   

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))	BDBM50512896 (CHEMBL4434808) Show SMILES Cc1nc2cc(NC(=O)C3CCCN(C3)c3cc(ncn3)-n3cccn3)ccc2s1 Show InChI InChI=1S/C21H21N7OS/c1-14-25-17-10-16(5-6-18(17)30-14)26-21(29)15-4-2-8-27(12-15)19-11-20(23-13-22-19)28-9-3-7-24-28/h3,5-7,9-11,13,15H,2,4,8,12H2,1H3,(H,26,29)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.39E+3	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 ABCG2 (unknown origin) expressed in MDCK2 cells co-expressing BCRP (unknown origin) assessed as effect on pheophorbide A accumulation p...				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))	BDBM50512896 (CHEMBL4434808) Show SMILES Cc1nc2cc(NC(=O)C3CCCN(C3)c3cc(ncn3)-n3cccn3)ccc2s1 Show InChI InChI=1S/C21H21N7OS/c1-14-25-17-10-16(5-6-18(17)30-14)26-21(29)15-4-2-8-27(12-15)19-11-20(23-13-22-19)28-9-3-7-24-28/h3,5-7,9-11,13,15H,2,4,8,12H2,1H3,(H,26,29)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.83E+3	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 ABCB1 in human A2780/ADR cells preincubated for 30 mins followed by calcein AM addition and measured at 60 secs time interval by fluore...				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))	BDBM50512896 (CHEMBL4434808) Show SMILES Cc1nc2cc(NC(=O)C3CCCN(C3)c3cc(ncn3)-n3cccn3)ccc2s1 Show InChI InChI=1S/C21H21N7OS/c1-14-25-17-10-16(5-6-18(17)30-14)26-21(29)15-4-2-8-27(12-15)19-11-20(23-13-22-19)28-9-3-7-24-28/h3,5-7,9-11,13,15H,2,4,8,12H2,1H3,(H,26,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.27E+4	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 ABCC1 in human H69AR cells preincubated for 30 mins followed by calcein-AM addition measured at 60 secs time interval by fluorescence a...				J Med Chem 62: 4383-4400 (2019) Article DOI: 10.1021/acs.jmedchem.8b01821
					More data for this Ligand-Target Pair