BDBM29644 (6aR)-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-10,11-diol;hydrate;hydrochloride::APOMORPHINE HYDROCHLORIDE::APOMORPHINE HYDROCHLORIDE HEMIHYDRATE::MLS000069811::SMR000059235::cid_6852399
SMILES: CN1CCc2cccc-3c2[C@H]1Cc1ccc(O)c(O)c-31
InChI Key: InChIKey=VMWNQDUVQKEIOC-CYBMUJFWSA-N
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 |
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D(3) dopamine receptor (Rattus norvegicus (Rat)) | BDBM29644 ((6aR)-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g...) | KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase DrugBank PC cid PC sid PDB UniChem Similars | Article PubMed | 36 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Debrecen Curated by ChEMBL | Assay Description Displacement of [3H]spiperone from rat recombinant dopamine D3 receptor expressed in SF9 cells | Bioorg Med Chem 16: 3773-9 (2008) Article DOI: 10.1016/j.bmc.2008.01.057 BindingDB Entry DOI: 10.7270/Q2959HB7 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
D(3) dopamine receptor (Rattus norvegicus (Rat)) | BDBM29644 ((6aR)-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g...) | KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase DrugBank PC cid PC sid PDB UniChem Similars | Article PubMed | 36 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Debrecen Curated by ChEMBL | Assay Description Displacement of [3H]spiperone from rat recombinant dopamine D3 receptor expressed in SF9 cells | Bioorg Med Chem 16: 3773-9 (2008) Article DOI: 10.1016/j.bmc.2008.01.057 BindingDB Entry DOI: 10.7270/Q2959HB7 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
D(2) dopamine receptor (Homo sapiens (Human)) | BDBM29644 ((6aR)-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g...) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | Purchase DrugBank PC cid PC sid PDB UniChem Similars | DrugBank PubMed | 42 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Uppsala University Curated by ChEMBL | Assay Description Inhibitory activity against non-nucleoside reverse transcriptase inhibitors (NNRTI) -resistant HIV-1 strain A17 variant with Y181C plus K103N mutatio... | Bioorg Med Chem Lett 11: 367-70 (2001) BindingDB Entry DOI: 10.7270/Q2N8792J | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
D(2) dopamine receptor (Rattus norvegicus (rat)) | BDBM29644 ((6aR)-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g...) | PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase DrugBank PC cid PC sid PDB UniChem Similars | Article PubMed | 48 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Debrecen Curated by ChEMBL | Assay Description Displacement of [3H]spiperone from rat dopamine D2 receptor in brain striatal membrane | Bioorg Med Chem 16: 3773-9 (2008) Article DOI: 10.1016/j.bmc.2008.01.057 BindingDB Entry DOI: 10.7270/Q2959HB7 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Serotonin (5-HT) receptor (Rattus norvegicus (rat)) | BDBM29644 ((6aR)-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g...) | Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase DrugBank PC cid PC sid PDB UniChem Similars | PubMed | 188 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Uppsala University Curated by ChEMBL | Assay Description Non-competitive inhibition against Candida albicans prolyl-tRNA synthetase (Ca. ProRS) with respect to proline | Bioorg Med Chem Lett 11: 367-70 (2001) BindingDB Entry DOI: 10.7270/Q2N8792J | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
5-hydroxytryptamine receptor 1A (Homo sapiens (Human)) | BDBM29644 ((6aR)-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | Purchase DrugBank PC cid PC sid PDB UniChem Similars | PubMed | 296 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Uppsala University Curated by ChEMBL | Assay Description Inhibitory activity against non-nucleoside reverse transcriptase inhibitors (NNRTI) -resistant HIV-1 strain A17 variant with Y181C plus K103N mutatio... | Bioorg Med Chem Lett 11: 367-70 (2001) BindingDB Entry DOI: 10.7270/Q2N8792J | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
MPI protein (Homo sapiens (Human)) | BDBM29644 ((6aR)-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g...) | Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase DrugBank PC cid PC sid PDB UniChem Similars | PCBioAssay | n/a | n/a | 1.46E+4 | n/a | n/a | n/a | n/a | 7.4 | 23 |
Burnham Center for Chemical Genomics Curated by PubChem BioAssay | Assay Description The purpose of this assay is to identify non-competititve inhibitors of human PMI. This is accomplished by using a G6PD- NADPH-coupled assay. In the ... | PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2CF9NFM | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
BCL-W (Homo sapiens (Human)) | BDBM29644 ((6aR)-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase DrugBank PC cid PC sid PDB UniChem Similars | PCBioAssay | n/a | n/a | n/a | n/a | 1.90E+4 | n/a | n/a | n/a | n/a |
NMMLSC Curated by PubChem BioAssay | Assay Description University of New Mexico Assay Overview: Assay Support: NIH 1X01 MH079850-01 HTS to identify small molecule regulators of Bcl-2 family protein int... | PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2BR8QM3 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Apoptosis regulator Bcl-2 (Homo sapiens (Human)) | BDBM29644 ((6aR)-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | Purchase DrugBank PC cid PC sid PDB UniChem Similars | PCBioAssay | n/a | n/a | n/a | n/a | 4.23E+4 | n/a | n/a | n/a | n/a |
NMMLSC Curated by PubChem BioAssay | Assay Description University of New Mexico Assay Overview: Assay Support: NIH 1X01 MH079850-01 HTS to identify small molecule regulators of Bcl-2 family protein int... | PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2B27SQ0 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
eukaryotic translation initiation factor 4 gamma, 1 isoform 4 (Homo sapiens (Human)) | BDBM29644 ((6aR)-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g...) | PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase DrugBank PC cid PC sid PDB UniChem Similars | PCBioAssay | n/a | n/a | 6.40E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Emory University Molecular Libraries Screening Center Curated by PubChem BioAssay | Assay Description Dose Response Confirmation for Small Molecule Inhibitors of Eukaryotic Translation Initiation NIH Molecular Libraries Screening Centers Network [MLSC... | PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2RN3686 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human)) | BDBM29644 ((6aR)-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g...) | PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | Purchase DrugBank PC cid PC sid PDB UniChem Similars | PCBioAssay | n/a | n/a | 4.38E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Emory University Molecular Libraries Screening Center Curated by PubChem BioAssay | Assay Description NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Nikolovska-Coleska, Univer... | PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q23X8539 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
POsterior Segregation family member (pos-1) (Caenorhabditis elegans) | BDBM29644 ((6aR)-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g...) | PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet | Purchase DrugBank PC cid PC sid PDB UniChem Similars | PCBioAssay | n/a | n/a | n/a | n/a | 1.69E+4 | n/a | n/a | n/a | n/a |
Broad Institute Curated by PubChem BioAssay | Assay Description Broad Institute: MLPCN maternal gene expression Project ID: 2024 Keywords: Zinc finger, C. elegans, maternal gene expression, RNA-protein interac... | PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q28G8J4C | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
RecName: Full=Zinc finger protein mex-5 (Caenorhabditis elegans) | BDBM29644 ((6aR)-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g...) | KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase DrugBank PC cid PC sid PDB UniChem Similars | PCBioAssay | n/a | n/a | n/a | n/a | 4.42E+3 | n/a | n/a | n/a | n/a |
Broad Institute Curated by PubChem BioAssay | Assay Description Broad Institute: MLPCN maternal gene expression Project ID: 2024 Keywords: Zinc finger, C. elegans, maternal gene expression, RNA-protein interac... | PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2D798VP | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
DNA dC->dU-editing enzyme APOBEC-3G (Homo sapiens (Human)) | BDBM29644 ((6aR)-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | Purchase DrugBank PC cid PC sid PDB UniChem Similars | PCBioAssay | n/a | n/a | 2.62E+4 | n/a | n/a | n/a | n/a | n/a | 25 |
Burnham Center for Chemical Genomics Curated by PubChem BioAssay | Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C... | PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q2HQ3XD6 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
D(2) dopamine receptor (Rattus norvegicus (rat)) | BDBM29644 ((6aR)-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g...) | PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase DrugBank PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | 87 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Debrecen Curated by ChEMBL | Assay Description Displacement of [3H]spiperone from rat dopamine D2 receptor in brain striatal membrane | Bioorg Med Chem 16: 3773-9 (2008) Article DOI: 10.1016/j.bmc.2008.01.057 BindingDB Entry DOI: 10.7270/Q2959HB7 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dopamine receptor (BOVINE) | BDBM29644 ((6aR)-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | Purchase DrugBank PC cid PC sid PDB UniChem Similars | PDB PubMed | n/a | n/a | 182 | n/a | n/a | n/a | n/a | n/a | n/a |
CIBA-GEIGY Corporation Curated by ChEMBL | Assay Description Concentration necessary to achieve half maximal inhibition of [3H]spiperone binding dopamine receptor at 1 uM | J Med Chem 32: 720-7 (1989) BindingDB Entry DOI: 10.7270/Q2639NQ6 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Opioid receptor (Rattus norvegicus (rat)-RAT) | BDBM29644 ((6aR)-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase DrugBank PC cid PC sid PDB UniChem Similars | PubMed | n/a | n/a | 302 | n/a | n/a | n/a | n/a | n/a | n/a |
Istituto Superiore di Sanit£ Curated by ChEMBL | Assay Description Ability to inhibit the specific binding of [3H]- dihydromorphine to opiate receptors in rat brain membrane preparation by 50% | J Med Chem 30: 1906-10 (1987) BindingDB Entry DOI: 10.7270/Q2DB82D1 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dopamine receptor (BOVINE) | BDBM29644 ((6aR)-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | Purchase DrugBank PC cid PC sid PDB UniChem Similars | PDB PubMed | n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
CIBA-GEIGY Corporation Curated by ChEMBL | Assay Description Concentration necessary to achieve half maximal inhibition of [3H](+)-23amino-6,7-dihydroxy-1,2,3,4-tetrahydronaphthalene binding to dopamine recepto... | J Med Chem 32: 720-7 (1989) BindingDB Entry DOI: 10.7270/Q2639NQ6 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Dopamine receptor (Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...) | BDBM29644 ((6aR)-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase DrugBank PC cid PC sid PDB UniChem Similars | PDB PubMed | n/a | n/a | 27 | n/a | n/a | n/a | n/a | n/a | n/a |
Warner-Lambert Company Curated by ChEMBL | Assay Description Compound was tested for inhibitory binding activity against dopamine receptor in rat striatal membranes using [3H]HAL as the radioligand. | J Med Chem 34: 248-56 (1991) BindingDB Entry DOI: 10.7270/Q20Z73WT | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Dopamine receptor (Homo sapiens (Human)) | BDBM29644 ((6aR)-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g...) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet | Purchase DrugBank PC cid PC sid PDB UniChem Similars | DrugBank PDB PubMed | n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description The IC50 value was reported as apparent, since [3H]NCA was purported to be irreversible. Result indicates the mean of two separate experiments, each ... | J Med Chem 27: 806-10 (1984) BindingDB Entry DOI: 10.7270/Q26111HB | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Bcl-2-related protein A1 (Homo sapiens (Human)) | BDBM29644 ((6aR)-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g...) | PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | Purchase DrugBank PC cid PC sid PDB UniChem Similars | PCBioAssay | n/a | n/a | n/a | n/a | 4.64E+4 | n/a | n/a | 7.4 | 4 |
NMMLSC Curated by PubChem BioAssay | Assay Description The multiplex is constructed by using beads for each protein target that have been labeled with varying intensities of red color, so that each assay ... | PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2CN728N | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Runt-Related Transcription Factor 1 Isoform AML1C (Homo sapiens (Human)) | BDBM29644 ((6aR)-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g...) | PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | Purchase DrugBank PC cid PC sid PDB UniChem Similars | PCBioAssay | n/a | n/a | 9.81E+3 | n/a | n/a | n/a | n/a | 7.4 | 23 |
Burnham Center for Chemical Genomics Curated by PubChem BioAssay | Assay Description This assay is to identify inhibitors of the protein-protein interaction between the RUNX1 Runt domain and CBFbeta-SMMHC. This is accomplished by usin... | PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2T72FSX | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Runt-Related Transcription Factor 1 Isoform AML1C (Homo sapiens (Human)) | BDBM29644 ((6aR)-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g...) | PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | Purchase DrugBank PC cid PC sid PDB UniChem Similars | PCBioAssay | n/a | n/a | 1.34E+4 | n/a | n/a | n/a | n/a | 7.4 | 23 |
Burnham Center for Chemical Genomics Curated by PubChem BioAssay | Assay Description This assay is to identify inhibitors of the protein-protein interaction between the RUNX1 Runt domain and CBFbeta-SMMHC. This is accomplished by usin... | PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q25D8Q6Q | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Runt-Related Transcription Factor 1 Isoform AML1C (Homo sapiens (Human)) | BDBM29644 ((6aR)-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g...) | PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | Purchase DrugBank PC cid PC sid PDB UniChem Similars | PCBioAssay | n/a | n/a | 1.89E+4 | n/a | n/a | n/a | n/a | 7.4 | 23 |
Burnham Center for Chemical Genomics Curated by PubChem BioAssay | Assay Description This assay is to identify inhibitors of the protein-protein interaction between the RUNX1 Runt domain and CBFbeta-SMMHC. This is accomplished by usin... | PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2959FWK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Bile salt export pump (Homo sapiens (Human)) | BDBM29644 ((6aR)-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase DrugBank PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | >1.35E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc. Curated by ChEMBL | Assay Description Inhibition of human BSEP expressed in fall armyworm sf9 cell plasma membrane vesicles assessed as reduction in vesicle-associated [3H]-taurocholate t... | Toxicol Sci 118: 485-500 (2010) Article DOI: 10.1093/toxsci/kfq269 BindingDB Entry DOI: 10.7270/Q26Q20JN | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Isoform Bcl-X(L) (Homo sapiens (Human)) | BDBM29644 ((6aR)-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g...) | PDB MMDB B.MOAD GoogleScholar AffyNet | Purchase DrugBank PC cid PC sid PDB UniChem Similars | PCBioAssay | n/a | n/a | n/a | n/a | 1.89E+4 | n/a | n/a | 7.4 | 4 |
NMMLSC Curated by PubChem BioAssay | Assay Description The HTS assay was conducted in 384-well microplates in a total assay volume per well of 10.1 microliters (5 microliters of bead mixture, 0.1 microlit... | PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2K935WV | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Runt-Related Transcription Factor 1 Isoform AML1C (Homo sapiens (Human)) | BDBM29644 ((6aR)-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g...) | PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | Purchase DrugBank PC cid PC sid PDB UniChem Similars | PCBioAssay | n/a | n/a | 9.81E+3 | n/a | n/a | n/a | n/a | 7.4 | 23 |
Burnham Center for Chemical Genomics Curated by PubChem BioAssay | Assay Description This assay is to use HTS to identify inhibitors of the protein-protein interaction between the RUNX1 Runt domain and CBFbeta-SMMHC, a potential thera... | PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2DV1H7P | |||||||||||
More data for this Ligand-Target Pair |