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| Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kJ/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| ATP-dependent translocase ABCB1 (Homo sapiens (Human)) | BDBM50127138 (2-(butan-2-yl)-4-{4-[4-(4-{[(2R,4S)-2-(2,4-dichlor...) | PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet  | Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 30 | 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 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Cytochrome P450 3A4 (Homo sapiens (Human)) | BDBM50127138 (2-(butan-2-yl)-4-{4-[4-(4-{[(2R,4S)-2-(2,4-dichlor...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Patents Similars | DrugBank Article PubMed | n/a | n/a | 70 | n/a | n/a | n/a | n/a | n/a | n/a |
Viamet Pharmaceuticals Inc. Curated by ChEMBL | Assay Description Inhibition of CYP3A4 in human hepatocytes using testosterone as substrate by HPLC/MS/MS method | Bioorg Med Chem Lett 24: 3455-8 (2014) Article DOI: 10.1016/j.bmcl.2014.05.068 BindingDB Entry DOI: 10.7270/Q2QF8VHQ | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| C-X-C chemokine receptor type 1 (Homo sapiens (Human)) | BDBM50127138 (2-(butan-2-yl)-4-{4-[4-(4-{[(2R,4S)-2-(2,4-dichlor...) | PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE 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 |
University of North Carolina Chapel Hill School of Medicine Curated by ChEMBL | Assay Description Inhibition of CX3CL1-stimulated CX3CR1 in human HTLA cells pre-incubated for 20 mins measured on day 4 by beta arrestin-recruitment mediated lucifera... | J Med Chem 56: 2406-14 (2013) Article DOI: 10.1021/jm301749y BindingDB Entry DOI: 10.7270/Q2J38TW7 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| ATP-dependent translocase ABCB1 (Mus musculus (Mouse)) | BDBM50127138 (2-(butan-2-yl)-4-{4-[4-(4-{[(2R,4S)-2-(2,4-dichlor...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 200 | 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 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| C-C chemokine receptor type 4 (Homo sapiens (Human)) | BDBM50127138 (2-(butan-2-yl)-4-{4-[4-(4-{[(2R,4S)-2-(2,4-dichlor...) | UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
University of North Carolina Chapel Hill School of Medicine Curated by ChEMBL | Assay Description Inverse agonist activity at CCR4 in human HTLA cells assessed as depression of basal activity incubated for 20 mins by beta arrestin-recruitment medi... | J Med Chem 56: 2406-14 (2013) Article DOI: 10.1021/jm301749y BindingDB Entry DOI: 10.7270/Q2J38TW7 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| C-C chemokine receptor type 4 (Homo sapiens (Human)) | BDBM50127138 (2-(butan-2-yl)-4-{4-[4-(4-{[(2R,4S)-2-(2,4-dichlor...) | UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE 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 |
University of North Carolina Chapel Hill School of Medicine Curated by ChEMBL | Assay Description Inhibition of CCL22-stimulated CCR4 in human HTLA cells pre-incubated for 20 mins measured on day 4 by beta arrestin-recruitment mediated luciferase ... | J Med Chem 56: 2406-14 (2013) Article DOI: 10.1021/jm301749y BindingDB Entry DOI: 10.7270/Q2J38TW7 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Cytochrome P450 3A4 (Homo sapiens (Human)) | BDBM50127138 (2-(butan-2-yl)-4-{4-[4-(4-{[(2R,4S)-2-(2,4-dichlor...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Patents Similars | DrugBank 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 human cytochrome P450 3A4 | J Med Chem 46: 1716-25 (2003) Article DOI: 10.1021/jm021012t BindingDB Entry DOI: 10.7270/Q2ZS2X8R | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| ATP-dependent translocase ABCB1 (Mus musculus) | BDBM50127138 (2-(butan-2-yl)-4-{4-[4-(4-{[(2R,4S)-2-(2,4-dichlor...) | Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE 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 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Vasopressin V2 receptor (Homo sapiens (Human)) | BDBM50127138 (2-(butan-2-yl)-4-{4-[4-(4-{[(2R,4S)-2-(2,4-dichlor...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE 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 |
University of North Carolina Chapel Hill School of Medicine Curated by ChEMBL | Assay Description Inhibition of vasopressin-stimulated vasopressin V2 receptor in human HTLA cells pre-incubated for 20 mins measured on day 4 by beta arrestin-recruit... | J Med Chem 56: 2406-14 (2013) Article DOI: 10.1021/jm301749y BindingDB Entry DOI: 10.7270/Q2J38TW7 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| ATP-dependent translocase ABCB1 (Homo sapiens (Human)) | BDBM50127138 (2-(butan-2-yl)-4-{4-[4-(4-{[(2R,4S)-2-(2,4-dichlor...) | PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 1.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute Curated by ChEMBL | Assay Description TP_TRANSPORTER: inhibition of Daunorubucin transport in G185 cells | Antimicrob Agents Chemother 46: 160-5 (2001) BindingDB Entry DOI: 10.7270/Q25D8T3M | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| ATP-dependent translocase ABCB1 (Homo sapiens (Human)) | BDBM50127138 (2-(butan-2-yl)-4-{4-[4-(4-{[(2R,4S)-2-(2,4-dichlor...) | PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 2.10E+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, 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 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| ATP-dependent translocase ABCB1 (Homo sapiens (Human)) | BDBM50127138 (2-(butan-2-yl)-4-{4-[4-(4-{[(2R,4S)-2-(2,4-dichlor...) | PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 2.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-LaRoche Ltd. Curated by ChEMBL | Assay Description TP_TRANSPORTER: inhibition of Calcein-AM efflux in MDR1-expressing LLC-PK1 cells | J Med Chem 46: 1716-25 (2003) Article DOI: 10.1021/jm021012t BindingDB Entry DOI: 10.7270/Q2ZS2X8R | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| ATP-dependent translocase ABCB1 (Homo sapiens (Human)) | BDBM50127138 (2-(butan-2-yl)-4-{4-[4-(4-{[(2R,4S)-2-(2,4-dichlor...) | PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 2.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute Curated by ChEMBL | Assay Description TP_TRANSPORTER: inhibition of LDS-751 efflux in NIH-3T3-G185 cells | Biochem Biophys Res Commun 289: 580-5 (2001) Article DOI: 10.1006/bbrc.2001.6000 BindingDB Entry DOI: 10.7270/Q21N82C8 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Cruzipain (Trypanosoma cruzi) | BDBM50127138 (2-(butan-2-yl)-4-{4-[4-(4-{[(2R,4S)-2-(2,4-dichlor...) | PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of California-San Francisco Curated by ChEMBL | Assay Description Inhibition of Trypanosoma cruzi cruzaine preincubated for 5 mins before substrate addition by fluorescence assay in absence of Triton X-100 | J Med Chem 53: 4259-65 (2010) Article DOI: 10.1021/jm100254w BindingDB Entry DOI: 10.7270/Q2222VRW | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Lanosterol 14-alpha demethylase (Homo sapiens (Human)) | BDBM50127138 (2-(butan-2-yl)-4-{4-[4-(4-{[(2R,4S)-2-(2,4-dichlor...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 3.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
ACT LLC Curated by ChEMBL | Assay Description Inhibition of human CYP51 expressed in Topp 3 cells by lanosterol demethylase assay | Drug Metab Dispos 35: 493-500 (2007) Article DOI: 10.1124/dmd.106.013888 BindingDB Entry DOI: 10.7270/Q2DF6S2H | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| C-X-C chemokine receptor type 1 (Homo sapiens (Human)) | BDBM50127138 (2-(butan-2-yl)-4-{4-[4-(4-{[(2R,4S)-2-(2,4-dichlor...) | PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of North Carolina Chapel Hill School of Medicine Curated by ChEMBL | Assay Description Inhibition of CX3CL1-stimulated CX3CR1 in human HTLA cells pre-incubated for 20 mins with centrifuged compound solution measured on day 4 by beta arr... | J Med Chem 56: 2406-14 (2013) Article DOI: 10.1021/jm301749y BindingDB Entry DOI: 10.7270/Q2J38TW7 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Vasopressin V2 receptor (Homo sapiens (Human)) | BDBM50127138 (2-(butan-2-yl)-4-{4-[4-(4-{[(2R,4S)-2-(2,4-dichlor...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 6.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of North Carolina Chapel Hill School of Medicine Curated by ChEMBL | Assay Description Inhibition of vasopressin-stimulated vasopressin V2 receptor in human HTLA cells pre-incubated for 20 mins with Tween-80-treated compound solution me... | J Med Chem 56: 2406-14 (2013) Article DOI: 10.1021/jm301749y BindingDB Entry DOI: 10.7270/Q2J38TW7 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| C-C chemokine receptor type 4 (Homo sapiens (Human)) | BDBM50127138 (2-(butan-2-yl)-4-{4-[4-(4-{[(2R,4S)-2-(2,4-dichlor...) | UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 7.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of North Carolina Chapel Hill School of Medicine Curated by ChEMBL | Assay Description Inhibition of CCL22-stimulated CCR4 in human HTLA cells pre-incubated for 20 mins with centrifuged compound solution measured on day 4 by beta arrest... | J Med Chem 56: 2406-14 (2013) Article DOI: 10.1021/jm301749y BindingDB Entry DOI: 10.7270/Q2J38TW7 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| C-C chemokine receptor type 4 (Homo sapiens (Human)) | BDBM50127138 (2-(butan-2-yl)-4-{4-[4-(4-{[(2R,4S)-2-(2,4-dichlor...) | UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 1.14E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of North Carolina Chapel Hill School of Medicine Curated by ChEMBL | Assay Description Inhibition of CCL22-stimulated CCR4 in human HTLA cells pre-incubated for 20 mins with Tween-80-treated compound solution measured on day 4 by beta a... | J Med Chem 56: 2406-14 (2013) Article DOI: 10.1021/jm301749y BindingDB Entry DOI: 10.7270/Q2J38TW7 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Vasopressin V2 receptor (Homo sapiens (Human)) | BDBM50127138 (2-(butan-2-yl)-4-{4-[4-(4-{[(2R,4S)-2-(2,4-dichlor...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 1.19E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of North Carolina Chapel Hill School of Medicine Curated by ChEMBL | Assay Description Inhibition of vasopressin-stimulated vasopressin V2 receptor in human HTLA cells pre-incubated for 20 mins with centrifuged compound solution measure... | J Med Chem 56: 2406-14 (2013) Article DOI: 10.1021/jm301749y BindingDB Entry DOI: 10.7270/Q2J38TW7 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| C-X-C chemokine receptor type 1 (Homo sapiens (Human)) | BDBM50127138 (2-(butan-2-yl)-4-{4-[4-(4-{[(2R,4S)-2-(2,4-dichlor...) | PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 2.08E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of North Carolina Chapel Hill School of Medicine Curated by ChEMBL | Assay Description Inhibition of CX3CL1-stimulated CX3CR1 in human HTLA cells pre-incubated for 20 mins with Tween-80-treated compound solution measured on day 4 by bet... | J Med Chem 56: 2406-14 (2013) Article DOI: 10.1021/jm301749y BindingDB Entry DOI: 10.7270/Q2J38TW7 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Cruzipain (Trypanosoma cruzi) | BDBM50127138 (2-(butan-2-yl)-4-{4-[4-(4-{[(2R,4S)-2-(2,4-dichlor...) | PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | >2.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of California-San Francisco Curated by ChEMBL | Assay Description Inhibition of Trypanosoma cruzi cruzaine preincubated for 5 mins before substrate addition by fluorescence assay in presence of 0.01% Triton X-100 | J Med Chem 53: 4259-65 (2010) Article DOI: 10.1021/jm100254w BindingDB Entry DOI: 10.7270/Q2222VRW | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
