BDBM50268560 CHEMBL4093128

SMILES: COc1cc2CCN(CCn3cc(COc4ccccc4C(=O)Nc4ccc(cc4)C(C)(C)C)nn3)Cc2cc1OC

InChI Key: InChIKey=VWVGKMQPCSSADW-UHFFFAOYSA-N

Data: 13 IC50  1 EC50

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 14 hits for monomerid = 50268560   

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))	BDBM50268560 (CHEMBL4093128) Show SMILES COc1cc2CCN(CCn3cc(COc4ccccc4C(=O)Nc4ccc(cc4)C(C)(C)C)nn3)Cc2cc1OC Show InChI InChI=1S/C33H39N5O4/c1-33(2,3)25-10-12-26(13-11-25)34-32(39)28-8-6-7-9-29(28)42-22-27-21-38(36-35-27)17-16-37-15-14-23-18-30(40-4)31(41-5)19-24(23)20-37/h6-13,18-19,21H,14-17,20,22H2,1-5H3,(H,34,39)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.49E+4	n/a	n/a	n/a	n/a	n/a	n/a
Center of Drug Discovery, State Key Laboratory of Natural Medicines, China Pharmaceutical University, 24 Tongjiaxiang, Nanjing 210009, PR China. Curated by ChEMBL					Assay Description Inhibition of ABCB1 in human K562/A02 cells assessed as potentiation of adriamycin-induced cytotoxicity by measuring ADR IC50 at 0.1 uM measured afte...				Bioorg Med Chem 25: 4194-4202 (2017) Article DOI: 10.1016/j.bmc.2017.06.015 BindingDB Entry DOI: 10.7270/Q26H4KWV
					More data for this Ligand-Target Pair
Multidrug resistance protein 1/Multidrug resistance associated protein 1 (Homo sapiens (Human))	BDBM50268560 (CHEMBL4093128) Show SMILES COc1cc2CCN(CCn3cc(COc4ccccc4C(=O)Nc4ccc(cc4)C(C)(C)C)nn3)Cc2cc1OC Show InChI InChI=1S/C33H39N5O4/c1-33(2,3)25-10-12-26(13-11-25)34-32(39)28-8-6-7-9-29(28)42-22-27-21-38(36-35-27)17-16-37-15-14-23-18-30(40-4)31(41-5)19-24(23)20-37/h6-13,18-19,21H,14-17,20,22H2,1-5H3,(H,34,39)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.84E+4	n/a	n/a	n/a	n/a	n/a	n/a
Center of Drug Discovery, State Key Laboratory of Natural Medicines, China Pharmaceutical University, 24 Tongjiaxiang, Nanjing 210009, PR China. Curated by ChEMBL					Assay Description Inhibition of ABCB1 in human K562/A02 cells assessed as potentiation of adriamycin-induced cytotoxicity by measuring ADR IC50 at 0.25 uM measured aft...				Bioorg Med Chem 25: 4194-4202 (2017) Article DOI: 10.1016/j.bmc.2017.06.015 BindingDB Entry DOI: 10.7270/Q26H4KWV
					More data for this Ligand-Target Pair
Multidrug resistance protein 1/Multidrug resistance associated protein 1 (Homo sapiens (Human))	BDBM50268560 (CHEMBL4093128) Show SMILES COc1cc2CCN(CCn3cc(COc4ccccc4C(=O)Nc4ccc(cc4)C(C)(C)C)nn3)Cc2cc1OC Show InChI InChI=1S/C33H39N5O4/c1-33(2,3)25-10-12-26(13-11-25)34-32(39)28-8-6-7-9-29(28)42-22-27-21-38(36-35-27)17-16-37-15-14-23-18-30(40-4)31(41-5)19-24(23)20-37/h6-13,18-19,21H,14-17,20,22H2,1-5H3,(H,34,39)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.25E+4	n/a	n/a	n/a	n/a	n/a	n/a
Center of Drug Discovery, State Key Laboratory of Natural Medicines, China Pharmaceutical University, 24 Tongjiaxiang, Nanjing 210009, PR China. Curated by ChEMBL					Assay Description Inhibition of ABCB1 in human K562/A02 cells assessed as potentiation of adriamycin-induced cytotoxicity by measuring ADR IC50 at 0.5 uM measured afte...				Bioorg Med Chem 25: 4194-4202 (2017) Article DOI: 10.1016/j.bmc.2017.06.015 BindingDB Entry DOI: 10.7270/Q26H4KWV
					More data for this Ligand-Target Pair
Multidrug resistance protein 1/Multidrug resistance associated protein 1 (Homo sapiens (Human))	BDBM50268560 (CHEMBL4093128) Show SMILES COc1cc2CCN(CCn3cc(COc4ccccc4C(=O)Nc4ccc(cc4)C(C)(C)C)nn3)Cc2cc1OC Show InChI InChI=1S/C33H39N5O4/c1-33(2,3)25-10-12-26(13-11-25)34-32(39)28-8-6-7-9-29(28)42-22-27-21-38(36-35-27)17-16-37-15-14-23-18-30(40-4)31(41-5)19-24(23)20-37/h6-13,18-19,21H,14-17,20,22H2,1-5H3,(H,34,39)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.02E+3	n/a	n/a	n/a	n/a	n/a	n/a
Center of Drug Discovery, State Key Laboratory of Natural Medicines, China Pharmaceutical University, 24 Tongjiaxiang, Nanjing 210009, PR China. Curated by ChEMBL					Assay Description Inhibition of ABCB1 in human K562/A02 cells assessed as potentiation of adriamycin-induced cytotoxicity by measuring ADR IC50 at 1 uM measured after ...				Bioorg Med Chem 25: 4194-4202 (2017) Article DOI: 10.1016/j.bmc.2017.06.015 BindingDB Entry DOI: 10.7270/Q26H4KWV
					More data for this Ligand-Target Pair
Multidrug resistance protein 1/Multidrug resistance associated protein 1 (Homo sapiens (Human))	BDBM50268560 (CHEMBL4093128) Show SMILES COc1cc2CCN(CCn3cc(COc4ccccc4C(=O)Nc4ccc(cc4)C(C)(C)C)nn3)Cc2cc1OC Show InChI InChI=1S/C33H39N5O4/c1-33(2,3)25-10-12-26(13-11-25)34-32(39)28-8-6-7-9-29(28)42-22-27-21-38(36-35-27)17-16-37-15-14-23-18-30(40-4)31(41-5)19-24(23)20-37/h6-13,18-19,21H,14-17,20,22H2,1-5H3,(H,34,39)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.33E+3	n/a	n/a	n/a	n/a	n/a	n/a
Center of Drug Discovery, State Key Laboratory of Natural Medicines, China Pharmaceutical University, 24 Tongjiaxiang, Nanjing 210009, PR China. Curated by ChEMBL					Assay Description Inhibition of ABCB1 in human K562/A02 cells assessed as potentiation of adriamycin-induced cytotoxicity by measuring ADR IC50 at 2.5 uM measured afte...				Bioorg Med Chem 25: 4194-4202 (2017) Article DOI: 10.1016/j.bmc.2017.06.015 BindingDB Entry DOI: 10.7270/Q26H4KWV
					More data for this Ligand-Target Pair
Multidrug resistance protein 1/Multidrug resistance associated protein 1 (Homo sapiens (Human))	BDBM50268560 (CHEMBL4093128) Show SMILES COc1cc2CCN(CCn3cc(COc4ccccc4C(=O)Nc4ccc(cc4)C(C)(C)C)nn3)Cc2cc1OC Show InChI InChI=1S/C33H39N5O4/c1-33(2,3)25-10-12-26(13-11-25)34-32(39)28-8-6-7-9-29(28)42-22-27-21-38(36-35-27)17-16-37-15-14-23-18-30(40-4)31(41-5)19-24(23)20-37/h6-13,18-19,21H,14-17,20,22H2,1-5H3,(H,34,39)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	253	n/a	n/a	n/a	n/a
Center of Drug Discovery, State Key Laboratory of Natural Medicines, China Pharmaceutical University, 24 Tongjiaxiang, Nanjing 210009, PR China. Curated by ChEMBL					Assay Description Inhibition of ABCB1 in human K562/A02 cells assessed as potentiation of adriamycin-induced cytotoxicity measured after 48 hrs by MTT assay				Bioorg Med Chem 25: 4194-4202 (2017) Article DOI: 10.1016/j.bmc.2017.06.015 BindingDB Entry DOI: 10.7270/Q26H4KWV
					More data for this Ligand-Target Pair
Multidrug resistance protein 1/Multidrug resistance associated protein 1 (Homo sapiens (Human))	BDBM50268560 (CHEMBL4093128) Show SMILES COc1cc2CCN(CCn3cc(COc4ccccc4C(=O)Nc4ccc(cc4)C(C)(C)C)nn3)Cc2cc1OC Show InChI InChI=1S/C33H39N5O4/c1-33(2,3)25-10-12-26(13-11-25)34-32(39)28-8-6-7-9-29(28)42-22-27-21-38(36-35-27)17-16-37-15-14-23-18-30(40-4)31(41-5)19-24(23)20-37/h6-13,18-19,21H,14-17,20,22H2,1-5H3,(H,34,39)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.33E+3	n/a	n/a	n/a	n/a	n/a	n/a
Center of Drug Discovery, State Key Laboratory of Natural Medicines, China Pharmaceutical University, 24 Tongjiaxiang, Nanjing 210009, PR China. Curated by ChEMBL					Assay Description Inhibition of ABCB1 in human K562/A02 cells assessed as potentiation of adriamycin-induced cytotoxicity by measuring ADR IC50 treated for 48 hrs foll...				Bioorg Med Chem 25: 4194-4202 (2017) Article DOI: 10.1016/j.bmc.2017.06.015 BindingDB Entry DOI: 10.7270/Q26H4KWV
					More data for this Ligand-Target Pair
Multidrug resistance protein 1/Multidrug resistance associated protein 1 (Homo sapiens (Human))	BDBM50268560 (CHEMBL4093128) Show SMILES COc1cc2CCN(CCn3cc(COc4ccccc4C(=O)Nc4ccc(cc4)C(C)(C)C)nn3)Cc2cc1OC Show InChI InChI=1S/C33H39N5O4/c1-33(2,3)25-10-12-26(13-11-25)34-32(39)28-8-6-7-9-29(28)42-22-27-21-38(36-35-27)17-16-37-15-14-23-18-30(40-4)31(41-5)19-24(23)20-37/h6-13,18-19,21H,14-17,20,22H2,1-5H3,(H,34,39)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.03E+4	n/a	n/a	n/a	n/a	n/a	n/a
Center of Drug Discovery, State Key Laboratory of Natural Medicines, China Pharmaceutical University, 24 Tongjiaxiang, Nanjing 210009, PR China. Curated by ChEMBL					Assay Description Inhibition of ABCB1 in human K562/A02 cells assessed as potentiation of adriamycin-induced cytotoxicity by measuring ADR IC50 treated for 48 hrs foll...				Bioorg Med Chem 25: 4194-4202 (2017) Article DOI: 10.1016/j.bmc.2017.06.015 BindingDB Entry DOI: 10.7270/Q26H4KWV
					More data for this Ligand-Target Pair
Multidrug resistance protein 1/Multidrug resistance associated protein 1 (Homo sapiens (Human))	BDBM50268560 (CHEMBL4093128) Show SMILES COc1cc2CCN(CCn3cc(COc4ccccc4C(=O)Nc4ccc(cc4)C(C)(C)C)nn3)Cc2cc1OC Show InChI InChI=1S/C33H39N5O4/c1-33(2,3)25-10-12-26(13-11-25)34-32(39)28-8-6-7-9-29(28)42-22-27-21-38(36-35-27)17-16-37-15-14-23-18-30(40-4)31(41-5)19-24(23)20-37/h6-13,18-19,21H,14-17,20,22H2,1-5H3,(H,34,39)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.26E+3	n/a	n/a	n/a	n/a	n/a	n/a
Center of Drug Discovery, State Key Laboratory of Natural Medicines, China Pharmaceutical University, 24 Tongjiaxiang, Nanjing 210009, PR China. Curated by ChEMBL					Assay Description Inhibition of ABCB1 in human K562/A02 cells assessed as potentiation of adriamycin-induced cytotoxicity by measuring ADR IC50 measured after 48 hrs b...				Bioorg Med Chem 25: 4194-4202 (2017) Article DOI: 10.1016/j.bmc.2017.06.015 BindingDB Entry DOI: 10.7270/Q26H4KWV
					More data for this Ligand-Target Pair
Multidrug resistance protein 1/Multidrug resistance associated protein 1 (Homo sapiens (Human))	BDBM50268560 (CHEMBL4093128) Show SMILES COc1cc2CCN(CCn3cc(COc4ccccc4C(=O)Nc4ccc(cc4)C(C)(C)C)nn3)Cc2cc1OC Show InChI InChI=1S/C33H39N5O4/c1-33(2,3)25-10-12-26(13-11-25)34-32(39)28-8-6-7-9-29(28)42-22-27-21-38(36-35-27)17-16-37-15-14-23-18-30(40-4)31(41-5)19-24(23)20-37/h6-13,18-19,21H,14-17,20,22H2,1-5H3,(H,34,39)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.27E+3	n/a	n/a	n/a	n/a	n/a	n/a
Center of Drug Discovery, State Key Laboratory of Natural Medicines, China Pharmaceutical University, 24 Tongjiaxiang, Nanjing 210009, PR China. Curated by ChEMBL					Assay Description Inhibition of ABCB1 in human K562/A02 cells assessed as potentiation of adriamycin-induced cytotoxicity by measuring ADR IC50 at 5 uM measured after ...				Bioorg Med Chem 25: 4194-4202 (2017) Article DOI: 10.1016/j.bmc.2017.06.015 BindingDB Entry DOI: 10.7270/Q26H4KWV
					More data for this Ligand-Target Pair
Multidrug resistance protein 1/Multidrug resistance associated protein 1 (Homo sapiens (Human))	BDBM50268560 (CHEMBL4093128) Show SMILES COc1cc2CCN(CCn3cc(COc4ccccc4C(=O)Nc4ccc(cc4)C(C)(C)C)nn3)Cc2cc1OC Show InChI InChI=1S/C33H39N5O4/c1-33(2,3)25-10-12-26(13-11-25)34-32(39)28-8-6-7-9-29(28)42-22-27-21-38(36-35-27)17-16-37-15-14-23-18-30(40-4)31(41-5)19-24(23)20-37/h6-13,18-19,21H,14-17,20,22H2,1-5H3,(H,34,39)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.72E+4	n/a	n/a	n/a	n/a	n/a	n/a
Center of Drug Discovery, State Key Laboratory of Natural Medicines, China Pharmaceutical University, 24 Tongjiaxiang, Nanjing 210009, PR China. Curated by ChEMBL					Assay Description Inhibition of ABCB1 in human K562/A02 cells assessed as potentiation of adriamycin-induced cytotoxicity by measuring ADR IC50 at 0.025 uM measured af...				Bioorg Med Chem 25: 4194-4202 (2017) Article DOI: 10.1016/j.bmc.2017.06.015 BindingDB Entry DOI: 10.7270/Q26H4KWV
					More data for this Ligand-Target Pair
Multidrug resistance protein 1/Multidrug resistance associated protein 1 (Homo sapiens (Human))	BDBM50268560 (CHEMBL4093128) Show SMILES COc1cc2CCN(CCn3cc(COc4ccccc4C(=O)Nc4ccc(cc4)C(C)(C)C)nn3)Cc2cc1OC Show InChI InChI=1S/C33H39N5O4/c1-33(2,3)25-10-12-26(13-11-25)34-32(39)28-8-6-7-9-29(28)42-22-27-21-38(36-35-27)17-16-37-15-14-23-18-30(40-4)31(41-5)19-24(23)20-37/h6-13,18-19,21H,14-17,20,22H2,1-5H3,(H,34,39)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.72E+4	n/a	n/a	n/a	n/a	n/a	n/a
Center of Drug Discovery, State Key Laboratory of Natural Medicines, China Pharmaceutical University, 24 Tongjiaxiang, Nanjing 210009, PR China. Curated by ChEMBL					Assay Description Inhibition of ABCB1 in human K562/A02 cells assessed as potentiation of adriamycin-induced cytotoxicity by measuring ADR IC50 at 0.05 uM measured aft...				Bioorg Med Chem 25: 4194-4202 (2017) Article DOI: 10.1016/j.bmc.2017.06.015 BindingDB Entry DOI: 10.7270/Q26H4KWV
					More data for this Ligand-Target Pair
Multidrug resistance protein 1/Multidrug resistance associated protein 1 (Homo sapiens (Human))	BDBM50268560 (CHEMBL4093128) Show SMILES COc1cc2CCN(CCn3cc(COc4ccccc4C(=O)Nc4ccc(cc4)C(C)(C)C)nn3)Cc2cc1OC Show InChI InChI=1S/C33H39N5O4/c1-33(2,3)25-10-12-26(13-11-25)34-32(39)28-8-6-7-9-29(28)42-22-27-21-38(36-35-27)17-16-37-15-14-23-18-30(40-4)31(41-5)19-24(23)20-37/h6-13,18-19,21H,14-17,20,22H2,1-5H3,(H,34,39)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.32E+3	n/a	n/a	n/a	n/a	n/a	n/a
Center of Drug Discovery, State Key Laboratory of Natural Medicines, China Pharmaceutical University, 24 Tongjiaxiang, Nanjing 210009, PR China. Curated by ChEMBL					Assay Description Inhibition of ABCB1 in human K562/A02 cells assessed as potentiation of adriamycin-induced cytotoxicity by measuring ADR IC50 treated for 48 hrs foll...				Bioorg Med Chem 25: 4194-4202 (2017) Article DOI: 10.1016/j.bmc.2017.06.015 BindingDB Entry DOI: 10.7270/Q26H4KWV
					More data for this Ligand-Target Pair
Multidrug resistance protein 1/Multidrug resistance associated protein 1 (Homo sapiens (Human))	BDBM50268560 (CHEMBL4093128) Show SMILES COc1cc2CCN(CCn3cc(COc4ccccc4C(=O)Nc4ccc(cc4)C(C)(C)C)nn3)Cc2cc1OC Show InChI InChI=1S/C33H39N5O4/c1-33(2,3)25-10-12-26(13-11-25)34-32(39)28-8-6-7-9-29(28)42-22-27-21-38(36-35-27)17-16-37-15-14-23-18-30(40-4)31(41-5)19-24(23)20-37/h6-13,18-19,21H,14-17,20,22H2,1-5H3,(H,34,39)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.72E+4	n/a	n/a	n/a	n/a	n/a	n/a
Center of Drug Discovery, State Key Laboratory of Natural Medicines, China Pharmaceutical University, 24 Tongjiaxiang, Nanjing 210009, PR China. Curated by ChEMBL					Assay Description Inhibition of ABCB1 in human K562/A02 cells assessed as potentiation of adriamycin-induced cytotoxicity by measuring ADR IC50 treated for 48 hrs foll...				Bioorg Med Chem 25: 4194-4202 (2017) Article DOI: 10.1016/j.bmc.2017.06.015 BindingDB Entry DOI: 10.7270/Q26H4KWV
					More data for this Ligand-Target Pair