BindingDB PrimarySearch

null

SMILES: CC[C@@H]1NC(=O)[C@H]([C@H](O)[C@H](C)C\C=C\C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C1=O)C(C)C

InChI Key: InChIKey=PMATZTZNYRCHOR-CGLBZJNRSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 191 hits for monomerid = 50022815
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Peptidyl-prolyl cis-trans isomerase A (Homo sapiens (Human))	BDBM50022815 ((3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG MMDB PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	62	n/a	n/a	n/a	n/a	n/a	n/a
Sandoz Pharma Ltd. Curated by ChEMBL					Assay Description In vitro binding affinity of the compound against cyclophilin A by ELISA				J Med Chem 38: 3361-7 (1995) BindingDB Entry DOI: 10.7270/Q27W6B79
Sandoz Pharma Ltd. Curated by ChEMBL					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50022815 ((3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33...) Show SMILES Show InChI	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	919	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Inhibition of ABCB1 in human A2780adr cells pre-incubated for 30 mins followed by calcein AM addition and further incubated for 60 mins by calcein AM...				J Med Chem 58: 3910-21 (2015) Article DOI: 10.1021/acs.jmedchem.5b00188 BindingDB Entry DOI: 10.7270/Q2WD4296
University of Bonn Curated by ChEMBL					More data for this Ligand-Target Pair
Solute carrier organic anion transporter family member 1B1 (Homo sapiens (Human))	BDBM50022815 ((3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	700	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of OATP1B1 (unknown origin) expressed in HEK293 cells using pitavastatin substrate				Drug Metab Dispos 40: 1641-8 (2012) Article DOI: 10.1124/dmd.111.042382 BindingDB Entry DOI: 10.7270/Q2ZW1NN1
Bristol-Myers Squibb Curated by ChEMBL					More data for this Ligand-Target Pair
Solute carrier organic anion transporter family member 1B1 (Homo sapiens (Human))	BDBM50022815 ((3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	700	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of OATP1B1 (unknown origin) expressed in HEK293 cells using estradiol-17beta-glucuronide substrate				Drug Metab Dispos 40: 1641-8 (2012) Article DOI: 10.1124/dmd.111.042382 BindingDB Entry DOI: 10.7270/Q2ZW1NN1
Bristol-Myers Squibb Curated by ChEMBL					More data for this Ligand-Target Pair
Solute carrier organic anion transporter family member 1B1 (Homo sapiens (Human))	BDBM50022815 ((3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of OATP1B1 (unknown origin) expressed in HEK293 cells using estrone-3-sulfate substrate				Drug Metab Dispos 40: 1641-8 (2012) Article DOI: 10.1124/dmd.111.042382 BindingDB Entry DOI: 10.7270/Q2ZW1NN1
Bristol-Myers Squibb Curated by ChEMBL					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50022815 ((3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33...) Show SMILES Show InChI	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	32	n/a	n/a	n/a	n/a
The Hong Kong Polytechnic University Curated by ChEMBL					Assay Description Modulation of P-gp (unknown origin) transfected in human MDA435/LCC6MDR cells assessed as reversing paclitaxel resistance measured as cell survival a...				J Med Chem 58: 4529-49 (2015) Article DOI: 10.1021/acs.jmedchem.5b00085 BindingDB Entry DOI: 10.7270/Q2N29ZP5
The Hong Kong Polytechnic University Curated by ChEMBL					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50022815 ((3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33...) Show SMILES Show InChI	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	43	n/a	n/a	n/a	n/a
The Hong Kong Polytechnic University Curated by ChEMBL					Assay Description Modulation of P-gp (unknown origin) transfected in human MDA435/LCC6MDR cells assessed as reversing doxorubicin resistance measured as cell survival ...				J Med Chem 58: 4529-49 (2015) Article DOI: 10.1021/acs.jmedchem.5b00085 BindingDB Entry DOI: 10.7270/Q2N29ZP5
The Hong Kong Polytechnic University Curated by ChEMBL					More data for this Ligand-Target Pair
Bile salt export pump (Homo sapiens (Human))	BDBM50022815 ((3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human BSEP expressed in plasma membrane vesicles of Sf21 cells assessed as inhibition of ATP-dependent [3H]taurocholate uptake				Drug Metab Dispos 40: 130-8 (2011) Article DOI: 10.1124/dmd.111.040758 BindingDB Entry DOI: 10.7270/Q20Z7500
AstraZeneca Curated by ChEMBL					More data for this Ligand-Target Pair
Bile salt export pump (Rattus norvegicus)	BDBM50022815 ((3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33...) Show SMILES Show InChI	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE KEGG MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of Sprague-Dawley rat Bsep expressed in plasma membrane vesicles of Sf21 cells assessed as inhibition of ATP-dependent [3H]taurocholate up...				Drug Metab Dispos 40: 130-8 (2011) Article DOI: 10.1124/dmd.111.040758 BindingDB Entry DOI: 10.7270/Q20Z7500
AstraZeneca Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50022815 ((3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.45E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Oslo Curated by ChEMBL					Assay Description Inhibition of human CYP3A4 expressed in supersomes assessed inhibition of 1'-OH midazolam formation preincubated for 15 mins before substrate additio...				Drug Metab Dispos 40: 655-61 (2012) Article DOI: 10.1124/dmd.111.043018 BindingDB Entry DOI: 10.7270/Q22Z1796
University of Oslo Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50022815 ((3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.06E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Oslo Curated by ChEMBL					Assay Description Inhibition of human CYP3A4 expressed in supersomes assessed inhibition of 1'-OH midazolam formation after 7.5 mins by LC-MS method				Drug Metab Dispos 40: 655-61 (2012) Article DOI: 10.1124/dmd.111.043018 BindingDB Entry DOI: 10.7270/Q22Z1796
University of Oslo Curated by ChEMBL					More data for this Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1C (Cavia porcellus)	BDBM50022815 ((3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33...) Show SMILES Show InChI	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE KEGG MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Curated by ChEMBL					Assay Description Inhibition of L-type calcium channel measured using whole-cell patch clamp in guinea pig ventricular myocytes				J Appl Toxicol 32: 858-66 (2012) Article DOI: 10.1002/jat.2784 BindingDB Entry DOI: 10.7270/Q2D79D5C
Jagiellonian University Curated by ChEMBL					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50022815 ((3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33...) Show SMILES Show InChI	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	4.55E+4	n/a	n/a	n/a	n/a
Università degli Studi di Bari Curated by ChEMBL					Assay Description Inhibition of P-glycoprotein-mediated [3H]vinblastine transport in human Caco2 cells				Bioorg Med Chem Lett 18: 3741-4 (2008) Article DOI: 10.1016/j.bmcl.2008.05.055 BindingDB Entry DOI: 10.7270/Q2MW2GXT
Università degli Studi di Bari Curated by ChEMBL					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform (Mus musculus (Mouse))	BDBM50022815 ((3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33...) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE KEGG MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	570	n/a	n/a	n/a	n/a	n/a	n/a
Anhui Agricultural University Curated by ChEMBL					Assay Description Inhibition of PI3K-gamma in mouse lymph node cells assessed as inhibition of ConA-stimulated T cell proliferation				Eur J Med Chem 108: 586-93 (2016) Article DOI: 10.1016/j.ejmech.2015.12.020 BindingDB Entry DOI: 10.7270/Q2T72K8V
Anhui Agricultural University Curated by ChEMBL					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase D (Homo sapiens (Human))	BDBM50022815 ((3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.60	n/a	n/a	n/a	n/a	n/a	n/a
University of Kansas Curated by ChEMBL					Assay Description Inhibition of human recombinant cyclophilin D using Suc-AAPF-MCA as substrate preincubated for 1 hr followed by substrate addition measured per milli...				ACS Med Chem Lett 7: 294-9 (2016) Article DOI: 10.1021/acsmedchemlett.5b00451 BindingDB Entry DOI: 10.7270/Q24T6M8F
University of Kansas Curated by ChEMBL					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase D (Homo sapiens (Human))	BDBM50022815 ((3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a
University of Liverpool Curated by ChEMBL					Assay Description Binding affinity to Cyclophilin D (unknown origin) by isothermal titration calorimetry				J Med Chem 59: 2596-611 (2016) Article DOI: 10.1021/acs.jmedchem.5b01801 BindingDB Entry DOI: 10.7270/Q2474CR6
University of Liverpool Curated by ChEMBL					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50022815 ((3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33...) Show SMILES Show InChI	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.41E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Inhibition of ABCB1 in human A2780/ADR cells incubated for 30 mins measured up to 3600 secs with time intervals of 60 secs by calcein accumulation as...				Eur J Med Chem 117: 212-29 (2016) Article DOI: 10.1016/j.ejmech.2016.03.067 BindingDB Entry DOI: 10.7270/Q23J3FW7
University of Bonn Curated by ChEMBL					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase A (Homo sapiens (Human))	BDBM50022815 ((3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	40.7	n/a	n/a	n/a	n/a	n/a	n/a
East China University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of peptidyl-prolyl isomerase activity of Cyclophilin A				J Med Chem 52: 5295-8 (2009) Article DOI: 10.1021/jm9008295 BindingDB Entry DOI: 10.7270/Q2930T62
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase A (Homo sapiens (Human))	BDBM50022815 ((3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.70	n/a	n/a	n/a	n/a	n/a	n/a
Max Planck Research Unit for Enzymology of Protein Folding Curated by ChEMBL					Assay Description Inhibition of PPIase activity of cyclophilin 18 by protease coupled assay				Nat Chem Biol 5: 724-6 (2009) Article DOI: 10.1038/nchembio.214 BindingDB Entry DOI: 10.7270/Q27D2VBH
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase A (Homo sapiens (Human))	BDBM50022815 ((3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a
Max Planck Research Unit for Enzymology of Protein Folding Curated by ChEMBL					Assay Description Binding affinity to human cyclophilin 18 assessed as reduction in calcineurin activity				Nat Chem Biol 5: 724-6 (2009) Article DOI: 10.1038/nchembio.214 BindingDB Entry DOI: 10.7270/Q27D2VBH
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase A (Homo sapiens (Human))	BDBM50022815 ((3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Max Planck Research Unit for Enzymology of Protein Folding Curated by ChEMBL					Assay Description Binding affinity to human cyclophilin 18				Nat Chem Biol 5: 724-6 (2009) Article DOI: 10.1038/nchembio.214 BindingDB Entry DOI: 10.7270/Q27D2VBH
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50022815 ((3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Scynexis, Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP3A4 after 30 mins				Antimicrob Agents Chemother 54: 660-72 (2010) Article DOI: 10.1128/AAC.00660-09 BindingDB Entry DOI: 10.7270/Q2V40VDG
Scynexis, Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50022815 ((3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	7.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Scynexis, Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP2C19 after 30 mins				Antimicrob Agents Chemother 54: 660-72 (2010) Article DOI: 10.1128/AAC.00660-09 BindingDB Entry DOI: 10.7270/Q2V40VDG
Scynexis, Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50022815 ((3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.88E+4	n/a	n/a	n/a	n/a	n/a	n/a
Scynexis, Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP2C9 after 30 mins				Antimicrob Agents Chemother 54: 660-72 (2010) Article DOI: 10.1128/AAC.00660-09 BindingDB Entry DOI: 10.7270/Q2V40VDG
Scynexis, Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM50022815 ((3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Scynexis, Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP1A2 after 30 mins				Antimicrob Agents Chemother 54: 660-72 (2010) Article DOI: 10.1128/AAC.00660-09 BindingDB Entry DOI: 10.7270/Q2V40VDG
Scynexis, Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50022815 ((3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33...) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE KEGG MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Scynexis, Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP2D6 after 30 mins				Antimicrob Agents Chemother 54: 660-72 (2010) Article DOI: 10.1128/AAC.00660-09 BindingDB Entry DOI: 10.7270/Q2V40VDG
Scynexis, Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50022815 ((3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33...) Show SMILES Show InChI	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	650	n/a	n/a	n/a	n/a	n/a	n/a
University of Perugia Curated by ChEMBL					Assay Description Inhibition of human ABCB1-mediated rhodamine 123 efflux in mouse L5178 cells expressing human MDR1 after 20 mins by FACS analysis				J Med Chem 54: 1740-51 (2011) Article DOI: 10.1021/jm101421d BindingDB Entry DOI: 10.7270/Q2C53M5K
University of Perugia Curated by ChEMBL					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase A (Homo sapiens (Human))	BDBM50022815 ((3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	7.60	n/a	n/a	n/a	n/a	n/a
Max Planck Research Unit for Enzymology of Protein Folding Curated by ChEMBL					Assay Description Binding affinity to human recombinant cyclophilin-A by isothermal titration calorimetry assay				Eur J Med Chem 46: 5556-61 (2011) Article DOI: 10.1016/j.ejmech.2011.09.019 BindingDB Entry DOI: 10.7270/Q2N87B59
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase A (Homo sapiens (Human))	BDBM50022815 ((3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	9.30	n/a	n/a	n/a	n/a	n/a	n/a
Max Planck Research Unit for Enzymology of Protein Folding Curated by ChEMBL					Assay Description Inhibition of PPIase activity of human recombinant cyclophilin-A using succinyl-Ala-Ala-Pro-Phe-4-nitroanilide as substrate by protease coupled assay				Eur J Med Chem 46: 5556-61 (2011) Article DOI: 10.1016/j.ejmech.2011.09.019 BindingDB Entry DOI: 10.7270/Q2N87B59
					More data for this Ligand-Target Pair
Protein phosphatase 3 catalytic subunit alpha (Homo sapiens (Human))	BDBM50022815 ((3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG MMDB PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity to protein phosphatase, calcineurin (CN) was determined				Bioorg Med Chem Lett 5: 2341-2346 (1995) Article DOI: 10.1016/0960-894X(95)00404-H BindingDB Entry DOI: 10.7270/Q2JQ11HB
TBA Curated by ChEMBL					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase A (Homo sapiens (Human))	BDBM50022815 ((3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG MMDB PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Centre de Recherche de Paris Curated by ChEMBL					Assay Description Immunosuppressive activity was measured by inhibition of the IL-2 production in Jurkat cells.				Bioorg Med Chem Lett 13: 4415-9 (2003) BindingDB Entry DOI: 10.7270/Q2183715
Centre de Recherche de Paris Curated by ChEMBL					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50022815 ((3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33...) Show SMILES Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE KEGG MMDB PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	455	n/a	n/a	n/a	n/a	n/a	n/a
Centre de Recherche de Paris Curated by ChEMBL					Assay Description In vitro inhibitory activity against HIV-1 RT in CEM4 cell line				Bioorg Med Chem Lett 13: 4415-9 (2003) BindingDB Entry DOI: 10.7270/Q2183715
Centre de Recherche de Paris Curated by ChEMBL					More data for this Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial (Homo sapiens (Human))	BDBM50022815 ((3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
NOVARTIS Pharma AG Curated by ChEMBL					Assay Description In vitro inhibitory activity against human dihydroorotate dehydrogenase (DHODH)				J Med Chem 41: 3530-8 (1998) Article DOI: 10.1021/jm981028c BindingDB Entry DOI: 10.7270/Q2668DW6
NOVARTIS Pharma AG Curated by ChEMBL					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase A (Homo sapiens (Human))	BDBM50022815 ((3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG MMDB PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a
Southern Methodist University Curated by ChEMBL					Assay Description Binding affinity towards cyclophilin A by fluorescence				J Med Chem 44: 2593-600 (2001) BindingDB Entry DOI: 10.7270/Q2PV6M22
Southern Methodist University Curated by ChEMBL					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP4 (Homo sapiens (Human))	BDBM50022815 ((3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG MMDB PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
D�partement D'Ing�nierie et D'Etudes des Prot�ines Curated by ChEMBL					Assay Description 50% inhibitory concentration of competitive binding against hCyp-18 PPIase activity using uncoupled assay				J Med Chem 43: 1770-9 (2000) BindingDB Entry DOI: 10.7270/Q2SQ9135
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50022815 ((3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33...) Show SMILES Show InChI	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	800	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-LaRoche Ltd. Curated by ChEMBL					Assay Description Inhibition of P-glycoprotein, human L-MDR1 expressed in LLC-PK1 epithelial cells using calcein-AM polarisation assay				J Med Chem 46: 1716-25 (2003) Article DOI: 10.1021/jm021012t BindingDB Entry DOI: 10.7270/Q2ZS2X8R
F. Hoffmann-LaRoche Ltd. Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50022815 ((3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-LaRoche Ltd. Curated by ChEMBL					Assay Description Inhibition of human cytochrome P450 3A4				J Med Chem 46: 1716-25 (2003) Article DOI: 10.1021/jm021012t BindingDB Entry DOI: 10.7270/Q2ZS2X8R
F. Hoffmann-LaRoche Ltd. Curated by ChEMBL					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Mus musculus (Mouse))	BDBM50022815 ((3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33...) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE KEGG MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-LaRoche Ltd. Curated by ChEMBL					Assay Description Inhibition of P-glycoprotein, mouse L-mdr1a expressed in LLC-PK1 epithelial cells using calcein-AM polarisation assay				J Med Chem 46: 1716-25 (2003) Article DOI: 10.1021/jm021012t BindingDB Entry DOI: 10.7270/Q2ZS2X8R
F. Hoffmann-LaRoche Ltd. Curated by ChEMBL					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50022815 ((3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33...) Show SMILES Show InChI	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-LaRoche Ltd. Curated by ChEMBL					Assay Description Inhibition of P-glycoprotein using calcein-AM assay transfected in porcine PBCEC				J Med Chem 46: 1716-25 (2003) Article DOI: 10.1021/jm021012t BindingDB Entry DOI: 10.7270/Q2ZS2X8R
F. Hoffmann-LaRoche Ltd. Curated by ChEMBL					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Mus musculus)	BDBM50022815 ((3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33...) Show SMILES Show InChI	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE KEGG MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	700	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-LaRoche Ltd. Curated by ChEMBL					Assay Description Inhibition of P-glycoprotein, mouse L-mdr1b expressed in LLC-PK1 epithelial cells using calcein-AM polarisation assay				J Med Chem 46: 1716-25 (2003) Article DOI: 10.1021/jm021012t BindingDB Entry DOI: 10.7270/Q2ZS2X8R
F. Hoffmann-LaRoche Ltd. Curated by ChEMBL					More data for this Ligand-Target Pair
Solute carrier organic anion transporter family member 2B1 (Homo sapiens (Human))	BDBM50022815 ((3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33...) Show SMILES Show InChI	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Inhibition of human liver OATP2B1 expressed in HEK293 Flp-In cells assessed as reduction in [3H]E3S uptake incubated for 5 mins by scintillation coun...				J Med Chem 55: 4740-63 (2012) Article DOI: 10.1021/jm300212s BindingDB Entry DOI: 10.7270/Q2765GFC
Uppsala University Curated by ChEMBL					More data for this Ligand-Target Pair
Solute carrier organic anion transporter family member 1B3 (Homo sapiens (Human))	BDBM50022815 ((3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Inhibition of human liver OATP1B3 expressed in HEK293 Flp-In cells assessed as reduction in [3H]E17-betaG uptake incubated for 5 mins by scintillatio...				J Med Chem 55: 4740-63 (2012) Article DOI: 10.1021/jm300212s BindingDB Entry DOI: 10.7270/Q2765GFC
Uppsala University Curated by ChEMBL					More data for this Ligand-Target Pair
Solute carrier organic anion transporter family member 1B1 (Homo sapiens (Human))	BDBM50022815 ((3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Inhibition of human liver OATP1B1 expressed in HEK293 Flp-In cells assessed as reduction in E17-betaG uptake by scintillation counting				J Med Chem 55: 4740-63 (2012) Article DOI: 10.1021/jm300212s BindingDB Entry DOI: 10.7270/Q2765GFC
Uppsala University Curated by ChEMBL					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50022815 ((3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33...) Show SMILES Show InChI	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	8.00E+4	n/a	n/a	n/a	n/a
Universita degli Studi di Bari Curated by ChEMBL					Assay Description Inhibition of human P-glycoprotein mediated [3H]vinblastine transport in human Caco-2 cells				J Med Chem 51: 1415-22 (2008) Article DOI: 10.1021/jm701267q BindingDB Entry DOI: 10.7270/Q2QN67NC
Universita degli Studi di Bari Curated by ChEMBL					More data for this Ligand-Target Pair
ATP-binding cassette sub-family C member 2 (Homo sapiens (Human))	BDBM50022815 ((3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
BMSSI UMR 5086 CNRS/Universit£ Lyon 1 Curated by ChEMBL					Assay Description Inhibition of ABCC2 (unknown origin)				Eur J Med Chem 122: 408-418 (2016) Article DOI: 10.1016/j.ejmech.2016.06.039 BindingDB Entry DOI: 10.7270/Q2RN39TM
BMSSI UMR 5086 CNRS/Universit£ Lyon 1 Curated by ChEMBL					More data for this Ligand-Target Pair
Multidrug resistance-associated protein 1 (Homo sapiens (Human))	BDBM50022815 ((3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33...) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE KEGG MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.81E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Inhibition of MRP1 (unknown origin) expressed in human 2008 cells assessed as calcein-AM accumulation preincubated for 30 mins before calcein-AM addi...				Eur J Med Chem 67: 115-26 (2013) Article DOI: 10.1016/j.ejmech.2013.06.035 BindingDB Entry DOI: 10.7270/Q2W66N6K
University of Bonn Curated by ChEMBL					More data for this Ligand-Target Pair
ATP-binding cassette sub-family C member 2 (Homo sapiens (Human))	BDBM50022815 ((3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.56E+4	n/a	n/a	n/a	n/a	n/a	n/a
BMSSI UMR 5086 CNRS/Universit£ Lyon 1 Curated by ChEMBL					Assay Description Inhibition of ABCC2 (unknown origin) expressed in MDCK2 cells assessed as inhibition of calcein-AM efflux measured after 30 mins in presence of ABCB1...				Eur J Med Chem 122: 408-418 (2016) Article DOI: 10.1016/j.ejmech.2016.06.039 BindingDB Entry DOI: 10.7270/Q2RN39TM
BMSSI UMR 5086 CNRS/Universit£ Lyon 1 Curated by ChEMBL					More data for this Ligand-Target Pair
Multidrug resistance-associated protein 1 (Homo sapiens (Human))	BDBM50022815 ((3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33...) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE KEGG MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Inhibition of MRP1 in human 2008 cells assessed as Calcein AM accumulation treated 30 mins before Calcein AM addition measured up to 90 mins by fluor...				Bioorg Med Chem 21: 7858-73 (2013) Article DOI: 10.1016/j.bmc.2013.10.007 BindingDB Entry DOI: 10.7270/Q2TX3GT2
University of Bonn Curated by ChEMBL					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50022815 ((3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33...) Show SMILES Show InChI	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	920	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Inhibition of MDR1 in human doxorubicin-resistant A2780adr cells assessed as Calcein AM accumulation treated 30 mins before Calcein AM addition measu...				Bioorg Med Chem 21: 7858-73 (2013) Article DOI: 10.1016/j.bmc.2013.10.007 BindingDB Entry DOI: 10.7270/Q2TX3GT2
University of Bonn Curated by ChEMBL					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase A (Homo sapiens (Human))	BDBM50022815 ((3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG MMDB PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Sandoz Pharma Ltd. Curated by ChEMBL					Assay Description Compound was evaluated for in vitro binding affinity to cyclophilin A (CyP-A)				J Med Chem 37: 3674-6 (1994) BindingDB Entry DOI: 10.7270/Q23J3C16
Sandoz Pharma Ltd. Curated by ChEMBL					More data for this Ligand-Target Pair

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