BDBM50514162 CHEMBL4446420

SMILES: Cc1cc(C)c(cc1C)-c1cc(NC(=O)CSc2cccc(NC(=O)c3cncc(Br)c3)c2)n(n1)-c1ccccc1

InChI Key: InChIKey=BRQKWGBEIKPKER-UHFFFAOYSA-N

Data: 4 IC50  1 Kd

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 5 hits for monomerid = 50514162   

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))	BDBM50514162 (CHEMBL4446420) Show SMILES Cc1cc(C)c(cc1C)-c1cc(NC(=O)CSc2cccc(NC(=O)c3cncc(Br)c3)c2)n(n1)-c1ccccc1 Show InChI InChI=1S/C32H28BrN5O2S/c1-20-12-22(3)28(13-21(20)2)29-16-30(38(37-29)26-9-5-4-6-10-26)36-31(39)19-41-27-11-7-8-25(15-27)35-32(40)23-14-24(33)18-34-17-23/h4-18H,19H2,1-3H3,(H,35,40)(H,36,39)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	2.28E+4	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of spin-labelled adenine nucleotide interaction with human P-gp expressed in Escherichia coli BL21 (DE3) assessed as apparent dissociation...				J Med Chem 62: 10645-10663 (2019) Article DOI: 10.1021/acs.jmedchem.9b00966
					More data for this Ligand-Target Pair
Multidrug resistance protein 1/Multidrug resistance associated protein 1 (Homo sapiens (Human))	BDBM50514162 (CHEMBL4446420) Show SMILES Cc1cc(C)c(cc1C)-c1cc(NC(=O)CSc2cccc(NC(=O)c3cncc(Br)c3)c2)n(n1)-c1ccccc1 Show InChI InChI=1S/C32H28BrN5O2S/c1-20-12-22(3)28(13-21(20)2)29-16-30(38(37-29)26-9-5-4-6-10-26)36-31(39)19-41-27-11-7-8-25(15-27)35-32(40)23-14-24(33)18-34-17-23/h4-18H,19H2,1-3H3,(H,35,40)(H,36,39)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	56	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Reversal of P-gp mediated multidrug resistance in human DU145-TxR cells overexpressing P-gp assessed as potentiation of paclitaxel-induced cytotoxici...				J Med Chem 62: 10645-10663 (2019) Article DOI: 10.1021/acs.jmedchem.9b00966
					More data for this Ligand-Target Pair
Multidrug resistance protein 1/Multidrug resistance associated protein 1 (Homo sapiens (Human))	BDBM50514162 (CHEMBL4446420) Show SMILES Cc1cc(C)c(cc1C)-c1cc(NC(=O)CSc2cccc(NC(=O)c3cncc(Br)c3)c2)n(n1)-c1ccccc1 Show InChI InChI=1S/C32H28BrN5O2S/c1-20-12-22(3)28(13-21(20)2)29-16-30(38(37-29)26-9-5-4-6-10-26)36-31(39)19-41-27-11-7-8-25(15-27)35-32(40)23-14-24(33)18-34-17-23/h4-18H,19H2,1-3H3,(H,35,40)(H,36,39)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Reversal of P-gp mediated multidrug resistance in human DU145-TxR cells overexpressing P-gp assessed as potentiation of paclitaxel-induced cytotoxici...				J Med Chem 62: 10645-10663 (2019) Article DOI: 10.1021/acs.jmedchem.9b00966
					More data for this Ligand-Target Pair
Multidrug resistance protein 1/Multidrug resistance associated protein 1 (Homo sapiens (Human))	BDBM50514162 (CHEMBL4446420) Show SMILES Cc1cc(C)c(cc1C)-c1cc(NC(=O)CSc2cccc(NC(=O)c3cncc(Br)c3)c2)n(n1)-c1ccccc1 Show InChI InChI=1S/C32H28BrN5O2S/c1-20-12-22(3)28(13-21(20)2)29-16-30(38(37-29)26-9-5-4-6-10-26)36-31(39)19-41-27-11-7-8-25(15-27)35-32(40)23-14-24(33)18-34-17-23/h4-18H,19H2,1-3H3,(H,35,40)(H,36,39)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Reversal of P-gp mediated multidrug resistance in human DU145-TxR cells overexpressing P-gp assessed as potentiation of paclitaxel-induced cytotoxici...				J Med Chem 62: 10645-10663 (2019) Article DOI: 10.1021/acs.jmedchem.9b00966
					More data for this Ligand-Target Pair
Multidrug resistance protein 1/Multidrug resistance associated protein 1 (Homo sapiens (Human))	BDBM50514162 (CHEMBL4446420) Show SMILES Cc1cc(C)c(cc1C)-c1cc(NC(=O)CSc2cccc(NC(=O)c3cncc(Br)c3)c2)n(n1)-c1ccccc1 Show InChI InChI=1S/C32H28BrN5O2S/c1-20-12-22(3)28(13-21(20)2)29-16-30(38(37-29)26-9-5-4-6-10-26)36-31(39)19-41-27-11-7-8-25(15-27)35-32(40)23-14-24(33)18-34-17-23/h4-18H,19H2,1-3H3,(H,35,40)(H,36,39)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Reversal of P-gp mediated multidrug resistance in human DU145-TxR cells overexpressing P-gp assessed as potentiation of paclitaxel-induced cytotoxici...				J Med Chem 62: 10645-10663 (2019) Article DOI: 10.1021/acs.jmedchem.9b00966
					More data for this Ligand-Target Pair