BDBM50514156 CHEMBL4475388

SMILES: Cc1cc(C)c(cc1C)-c1cc(NC(=O)CSc2n[nH]c(n2)C2CC2)n(n1)-c1ccccc1

InChI Key: InChIKey=DBAZHNMKICPZRD-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 = 50514156   

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))	BDBM50514156 (CHEMBL4475388) Show SMILES Cc1cc(C)c(cc1C)-c1cc(NC(=O)CSc2n[nH]c(n2)C2CC2)n(n1)-c1ccccc1 Show InChI InChI=1S/C25H26N6OS/c1-15-11-17(3)20(12-16(15)2)21-13-22(31(30-21)19-7-5-4-6-8-19)26-23(32)14-33-25-27-24(28-29-25)18-9-10-18/h4-8,11-13,18H,9-10,14H2,1-3H3,(H,26,32)(H,27,28,29)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	629	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))	BDBM50514156 (CHEMBL4475388) Show SMILES Cc1cc(C)c(cc1C)-c1cc(NC(=O)CSc2n[nH]c(n2)C2CC2)n(n1)-c1ccccc1 Show InChI InChI=1S/C25H26N6OS/c1-15-11-17(3)20(12-16(15)2)21-13-22(31(30-21)19-7-5-4-6-8-19)26-23(32)14-33-25-27-24(28-29-25)18-9-10-18/h4-8,11-13,18H,9-10,14H2,1-3H3,(H,26,32)(H,27,28,29)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	194	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))	BDBM50514156 (CHEMBL4475388) Show SMILES Cc1cc(C)c(cc1C)-c1cc(NC(=O)CSc2n[nH]c(n2)C2CC2)n(n1)-c1ccccc1 Show InChI InChI=1S/C25H26N6OS/c1-15-11-17(3)20(12-16(15)2)21-13-22(31(30-21)19-7-5-4-6-8-19)26-23(32)14-33-25-27-24(28-29-25)18-9-10-18/h4-8,11-13,18H,9-10,14H2,1-3H3,(H,26,32)(H,27,28,29)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	7.10E+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))	BDBM50514156 (CHEMBL4475388) Show SMILES Cc1cc(C)c(cc1C)-c1cc(NC(=O)CSc2n[nH]c(n2)C2CC2)n(n1)-c1ccccc1 Show InChI InChI=1S/C25H26N6OS/c1-15-11-17(3)20(12-16(15)2)21-13-22(31(30-21)19-7-5-4-6-8-19)26-23(32)14-33-25-27-24(28-29-25)18-9-10-18/h4-8,11-13,18H,9-10,14H2,1-3H3,(H,26,32)(H,27,28,29)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	101	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))	BDBM50514156 (CHEMBL4475388) Show SMILES Cc1cc(C)c(cc1C)-c1cc(NC(=O)CSc2n[nH]c(n2)C2CC2)n(n1)-c1ccccc1 Show InChI InChI=1S/C25H26N6OS/c1-15-11-17(3)20(12-16(15)2)21-13-22(31(30-21)19-7-5-4-6-8-19)26-23(32)14-33-25-27-24(28-29-25)18-9-10-18/h4-8,11-13,18H,9-10,14H2,1-3H3,(H,26,32)(H,27,28,29)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	59	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