BDBM50005106 BRL-1702::CHEBI:52019::DICLOXACILLIN SODIUM::Dycill::Dynapen::P-1011::Pathocil

SMILES: O.[Na+].[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)c1c(C)onc1-c1c(Cl)cccc1Cl)C([O-])=O

InChI Key: InChIKey=SIGZQNJITOWQEF-VICXVTCVSA-M

Data: 2 KI  2 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 4 hits for monomerid = 50005106   

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
Solute carrier organic anion transporter family member 1B1 (OATP1B1) (Homo sapiens (Human))	BDBM50005106 (BRL-1702 | CHEBI:52019 | DICLOXACILLIN SODIUM | Dy...) Show SMILES O.[Na+].[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)c1c(C)onc1-c1c(Cl)cccc1Cl)C([O-])=O |r,wU:12.12,wD:8.31,3.0,(6.98,-14.68,;16.02,-15.01,;11.59,-9.06,;11.6,-10.6,;13.07,-10.12,;13.98,-11.39,;15.12,-10.34,;15.12,-12.4,;13.07,-12.62,;11.6,-12.13,;10.06,-12.13,;9,-13.24,;10.06,-10.6,;8.75,-9.85,;7.4,-10.58,;7.39,-12.12,;6.06,-9.82,;4.82,-10.74,;4.81,-12.26,;3.59,-9.8,;4.05,-8.34,;5.61,-8.35,;6.37,-7.01,;7.92,-7.01,;8.7,-8.35,;8.67,-5.69,;7.91,-4.36,;6.37,-4.35,;5.61,-5.69,;4.06,-5.66,;13.11,-14.17,;14.47,-14.9,;11.8,-14.97,)| Show InChI InChI=1S/C19H17Cl2N3O5S.Na.H2O/c1-7-10(12(23-29-7)11-8(20)5-4-6-9(11)21)15(25)22-13-16(26)24-14(18(27)28)19(2,3)30-17(13)24;;/h4-6,13-14,17H,1-3H3,(H,22,25)(H,27,28);;1H2/q;+1;/p-1/t13-,14+,17-;;/m1../s1	UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	370	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
KU Leuven Curated by ChEMBL					Assay Description Ki values for sodium fluorescein (10 uM) uptake in OATP1B1-transfected CHO cells				Mol Pharmacol 83: 1257-67 (2013) Article DOI: 10.1124/mol.112.084152 BindingDB Entry DOI: 10.7270/Q2TB18BP
					More data for this Ligand-Target Pair
Solute carrier organic anion transporter family member 1B3 (OATP1B3) (Homo sapiens (Human))	BDBM50005106 (BRL-1702 | CHEBI:52019 | DICLOXACILLIN SODIUM | Dy...) Show SMILES O.[Na+].[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)c1c(C)onc1-c1c(Cl)cccc1Cl)C([O-])=O |r,wU:12.12,wD:8.31,3.0,(6.98,-14.68,;16.02,-15.01,;11.59,-9.06,;11.6,-10.6,;13.07,-10.12,;13.98,-11.39,;15.12,-10.34,;15.12,-12.4,;13.07,-12.62,;11.6,-12.13,;10.06,-12.13,;9,-13.24,;10.06,-10.6,;8.75,-9.85,;7.4,-10.58,;7.39,-12.12,;6.06,-9.82,;4.82,-10.74,;4.81,-12.26,;3.59,-9.8,;4.05,-8.34,;5.61,-8.35,;6.37,-7.01,;7.92,-7.01,;8.7,-8.35,;8.67,-5.69,;7.91,-4.36,;6.37,-4.35,;5.61,-5.69,;4.06,-5.66,;13.11,-14.17,;14.47,-14.9,;11.8,-14.97,)| Show InChI InChI=1S/C19H17Cl2N3O5S.Na.H2O/c1-7-10(12(23-29-7)11-8(20)5-4-6-9(11)21)15(25)22-13-16(26)24-14(18(27)28)19(2,3)30-17(13)24;;/h4-6,13-14,17H,1-3H3,(H,22,25)(H,27,28);;1H2/q;+1;/p-1/t13-,14+,17-;;/m1../s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	1.55E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
KU Leuven Curated by ChEMBL					Assay Description Ki values for sodium fluorescein (10 uM) uptake in OATP1B3-transfected CHO cells				Mol Pharmacol 83: 1257-67 (2013) Article DOI: 10.1124/mol.112.084152 BindingDB Entry DOI: 10.7270/Q2TB18BP
					More data for this Ligand-Target Pair
Solute carrier organic anion transporter family member 1B3 (OATP1B3) (Homo sapiens (Human))	BDBM50005106 (BRL-1702 | CHEBI:52019 | DICLOXACILLIN SODIUM | Dy...) Show SMILES O.[Na+].[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)c1c(C)onc1-c1c(Cl)cccc1Cl)C([O-])=O |r,wU:12.12,wD:8.31,3.0,(6.98,-14.68,;16.02,-15.01,;11.59,-9.06,;11.6,-10.6,;13.07,-10.12,;13.98,-11.39,;15.12,-10.34,;15.12,-12.4,;13.07,-12.62,;11.6,-12.13,;10.06,-12.13,;9,-13.24,;10.06,-10.6,;8.75,-9.85,;7.4,-10.58,;7.39,-12.12,;6.06,-9.82,;4.82,-10.74,;4.81,-12.26,;3.59,-9.8,;4.05,-8.34,;5.61,-8.35,;6.37,-7.01,;7.92,-7.01,;8.7,-8.35,;8.67,-5.69,;7.91,-4.36,;6.37,-4.35,;5.61,-5.69,;4.06,-5.66,;13.11,-14.17,;14.47,-14.9,;11.8,-14.97,)| Show InChI InChI=1S/C19H17Cl2N3O5S.Na.H2O/c1-7-10(12(23-29-7)11-8(20)5-4-6-9(11)21)15(25)22-13-16(26)24-14(18(27)28)19(2,3)30-17(13)24;;/h4-6,13-14,17H,1-3H3,(H,22,25)(H,27,28);;1H2/q;+1;/p-1/t13-,14+,17-;;/m1../s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
KU Leuven Curated by ChEMBL					Assay Description pIC50 values for sodium fluorescein (10 uM) uptake in OATP1B3-transfected CHO cells				Mol Pharmacol 83: 1257-67 (2013) Article DOI: 10.1124/mol.112.084152 BindingDB Entry DOI: 10.7270/Q2TB18BP
					More data for this Ligand-Target Pair
Solute carrier organic anion transporter family member 1B1 (OATP1B1) (Homo sapiens (Human))	BDBM50005106 (BRL-1702 | CHEBI:52019 | DICLOXACILLIN SODIUM | Dy...) Show SMILES O.[Na+].[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)c1c(C)onc1-c1c(Cl)cccc1Cl)C([O-])=O |r,wU:12.12,wD:8.31,3.0,(6.98,-14.68,;16.02,-15.01,;11.59,-9.06,;11.6,-10.6,;13.07,-10.12,;13.98,-11.39,;15.12,-10.34,;15.12,-12.4,;13.07,-12.62,;11.6,-12.13,;10.06,-12.13,;9,-13.24,;10.06,-10.6,;8.75,-9.85,;7.4,-10.58,;7.39,-12.12,;6.06,-9.82,;4.82,-10.74,;4.81,-12.26,;3.59,-9.8,;4.05,-8.34,;5.61,-8.35,;6.37,-7.01,;7.92,-7.01,;8.7,-8.35,;8.67,-5.69,;7.91,-4.36,;6.37,-4.35,;5.61,-5.69,;4.06,-5.66,;13.11,-14.17,;14.47,-14.9,;11.8,-14.97,)| Show InChI InChI=1S/C19H17Cl2N3O5S.Na.H2O/c1-7-10(12(23-29-7)11-8(20)5-4-6-9(11)21)15(25)22-13-16(26)24-14(18(27)28)19(2,3)30-17(13)24;;/h4-6,13-14,17H,1-3H3,(H,22,25)(H,27,28);;1H2/q;+1;/p-1/t13-,14+,17-;;/m1../s1	UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	676	n/a	n/a	n/a	n/a	n/a	n/a
KU Leuven Curated by ChEMBL					Assay Description pIC50 values for sodium fluorescein (10 uM) uptake in OATP1B1-transfected CHO cells				Mol Pharmacol 83: 1257-67 (2013) Article DOI: 10.1124/mol.112.084152 BindingDB Entry DOI: 10.7270/Q2TB18BP
					More data for this Ligand-Target Pair