BDBM50420237 EFONIDIPINE::EFONIDIPINE HYDROCHLORIDE

SMILES: CC1=NC(C)=C(C(C1[P+]1([O-])OCC(C)(C)CO1)c1cccc(c1)[N+]([O-])=O)C(=O)OCCN(Cc1ccccc1)c1ccccc1

InChI Key: InChIKey=YDJXRHCTKNMBAT-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 = 50420237   

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
P-glycoprotein 1 (Homo sapiens (Human))	BDBM50420237 (EFONIDIPINE | EFONIDIPINE HYDROCHLORIDE) Show SMILES CC1=NC(C)=C(C(C1[P+]1([O-])OCC(C)(C)CO1)c1cccc(c1)[N+]([O-])=O)C(=O)OCCN(Cc1ccccc1)c1ccccc1 |c:4,t:1| Show InChI InChI=1S/C34H38N3O7P/c1-24-30(33(38)42-19-18-36(28-15-9-6-10-16-28)21-26-12-7-5-8-13-26)31(27-14-11-17-29(20-27)37(39)40)32(25(2)35-24)45(41)43-22-34(3,4)23-44-45/h5-17,20,31-32H,18-19,21-23H2,1-4H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	1.73E+4	n/a	n/a	n/a	n/a	n/a	n/a
Kanazawa University Curated by ChEMBL					Assay Description TP_TRANSPORTER: inhibition of Daunorubicin transepithelial transport (basal to apical), (-)-efonidipine (Daunorubicin: 0.035 uM) in MDR1-expressing L...				Pharm Res 17: 1189-97 (2000) BindingDB Entry DOI: 10.7270/Q2DR2WSR
					More data for this Ligand-Target Pair
Multidrug resistance protein 1/Multidrug resistance associated protein 1 (Homo sapiens (Human))	BDBM50420237 (EFONIDIPINE | EFONIDIPINE HYDROCHLORIDE) Show SMILES CC1=NC(C)=C(C(C1[P+]1([O-])OCC(C)(C)CO1)c1cccc(c1)[N+]([O-])=O)C(=O)OCCN(Cc1ccccc1)c1ccccc1 |c:4,t:1| Show InChI InChI=1S/C34H38N3O7P/c1-24-30(33(38)42-19-18-36(28-15-9-6-10-16-28)21-26-12-7-5-8-13-26)31(27-14-11-17-29(20-27)37(39)40)32(25(2)35-24)45(41)43-22-34(3,4)23-44-45/h5-17,20,31-32H,18-19,21-23H2,1-4H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
Kyoto Pharmaceutical University Curated by ChEMBL					Assay Description TP_TRANSPORTER: inhibition of Digoxin transepithelial transport (basal to apical) (Digoxin: 0.1 uM) in MDR1-expressing LLC-PK1 cells				Eur J Pharm Sci 16: 159-65 (2002) Article DOI: 10.1016/s0928-0987(02)00082-9 BindingDB Entry DOI: 10.7270/Q25X2CTJ
					More data for this Ligand-Target Pair
P-glycoprotein 1 (Homo sapiens (Human))	BDBM50420237 (EFONIDIPINE | EFONIDIPINE HYDROCHLORIDE) Show SMILES CC1=NC(C)=C(C(C1[P+]1([O-])OCC(C)(C)CO1)c1cccc(c1)[N+]([O-])=O)C(=O)OCCN(Cc1ccccc1)c1ccccc1 |c:4,t:1| Show InChI InChI=1S/C34H38N3O7P/c1-24-30(33(38)42-19-18-36(28-15-9-6-10-16-28)21-26-12-7-5-8-13-26)31(27-14-11-17-29(20-27)37(39)40)32(25(2)35-24)45(41)43-22-34(3,4)23-44-45/h5-17,20,31-32H,18-19,21-23H2,1-4H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	2.06E+4	n/a	n/a	n/a	n/a	n/a	n/a
Kanazawa University Curated by ChEMBL					Assay Description TP_TRANSPORTER: inhibition of Daunorubicin transepithelial transport (basal to apical), (+)-efonidipine (Daunorubicin: 0.035 uM) in MDR1-expressing L...				Pharm Res 17: 1189-97 (2000) BindingDB Entry DOI: 10.7270/Q2DR2WSR
					More data for this Ligand-Target Pair