lovingscience/chembl-v37-raw-activities huggingface dataset:
Compound (SMILES): CCCS(=O)(=O)NCc1ccc2c(c1)C(Cc1ccccc1)C(NC)CC2
InChIKey: CGXVLZCHCUSGSF-UHFFFAOYSA-N
Target: Sodium- and chloride-dependent glycine transporter 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P48067
Assay: Radioligand Binding Assay: Radioligand binding to human GlyT1c transporter-expressing membranes was carried out as described in Mezler et al., Molecular Pharmacology 74:1705-1715, 2008.
Measurement: Ki < 10 nM (pChEMBL 8)
Descriptors: MW 386.56, ALogP 3.38, HBA 3, HBD 2, PSA 58.2, QED 0.73
Compound (SMILES): CNC1CCc2ccc(CNS(=O)(=O)C3CCC3)cc2C1Cc1ccccc1
InChIKey: WKCFWSVQGKCRKF-UHFFFAOYSA-N
Target: Sodium- and chloride-dependent glycine transporter 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P48067
Assay: Radioligand Binding Assay: Radioligand binding to human GlyT1c transporter-expressing membranes was carried out as described in Mezler et al., Molecular Pharmacology 74:1705-1715, 2008.
Measurement: Ki < 100 nM (pChEMBL 7)
Descriptors: MW 398.57, ALogP 3.52, HBA 3, HBD 2, PSA 58.2, QED 0.75
Compound (SMILES): CNC1CCc2ccc(CNS(=O)(=O)c3cccc(C)c3)cc2C1Cc1ccccc1
InChIKey: SPTCBYCVSNSCNG-UHFFFAOYSA-N
Target: Sodium- and chloride-dependent glycine transporter 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P48067
Assay: Radioligand Binding Assay: Radioligand binding to human GlyT1c transporter-expressing membranes was carried out as described in Mezler et al., Molecular Pharmacology 74:1705-1715, 2008.
Measurement: Ki < 10000 nM (pChEMBL 5)
Descriptors: MW 434.61, ALogP 4.33, HBA 3, HBD 2, PSA 58.2, QED 0.58
Compound (SMILES): CNC1CCc2ccc(CNS(=O)(=O)c3ccn(C)c3)cc2C1Cc1ccccc1
InChIKey: KOHJDORFSXGQEB-UHFFFAOYSA-N
Target: Sodium- and chloride-dependent glycine transporter 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P48067
Assay: Radioligand Binding Assay: Radioligand binding to human GlyT1c transporter-expressing membranes was carried out as described in Mezler et al., Molecular Pharmacology 74:1705-1715, 2008.
Measurement: Ki < 10 nM (pChEMBL 8)
Descriptors: MW 423.58, ALogP 3.36, HBA 4, HBD 2, PSA 63.13, QED 0.61
Compound (SMILES): CNC1CCc2ccc(CNS(=O)(=O)c3ccn(C)n3)cc2C1Cc1ccccc1
InChIKey: ZMJOEAQRUQLBHK-UHFFFAOYSA-N
Target: Sodium- and chloride-dependent glycine transporter 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P48067
Assay: Radioligand Binding Assay: Radioligand binding to human GlyT1c transporter-expressing membranes was carried out as described in Mezler et al., Molecular Pharmacology 74:1705-1715, 2008.
Measurement: Ki < 1000 nM (pChEMBL 6)
Descriptors: MW 424.57, ALogP 2.76, HBA 5, HBD 2, PSA 76.02, QED 0.61
Compound (SMILES): CCCS(=O)(=O)NCc1ccc2c(c1)C(Cc1ccccc1)C(NC(C)=O)CC2
InChIKey: YBTKODUWCCYOSM-UHFFFAOYSA-N
Target: Sodium- and chloride-dependent glycine transporter 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P48067
Assay: Radioligand Binding Assay: Radioligand binding to human GlyT1c transporter-expressing membranes was carried out as described in Mezler et al., Molecular Pharmacology 74:1705-1715, 2008.
Measurement: Ki < 10000 nM (pChEMBL 5)
Descriptors: MW 414.57, ALogP 3.29, HBA 3, HBD 2, PSA 75.27, QED 0.7
Compound (SMILES): CC(=O)NC1CCc2ccc(CNS(=O)(=O)c3cn(C)cn3)cc2C1Cc1ccc(F)cc1
InChIKey: MTNOQECDDHFWLB-UHFFFAOYSA-N
Target: Sodium- and chloride-dependent glycine transporter 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P48067
Assay: Radioligand Binding Assay: Radioligand binding to human GlyT1c transporter-expressing membranes was carried out as described in Mezler et al., Molecular Pharmacology 74:1705-1715, 2008.
Measurement: Ki < 10000 nM (pChEMBL 5)
Descriptors: MW 470.57, ALogP 2.81, HBA 5, HBD 2, PSA 93.09, QED 0.56
Compound (SMILES): CCCS(=O)(=O)NCc1ccc2c(c1)C(Cc1ccccc1)C(NCC)CC2
InChIKey: UYCOPOHPGVBBQU-UHFFFAOYSA-N
Target: Sodium- and chloride-dependent glycine transporter 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P48067
Assay: Radioligand Binding Assay: Radioligand binding to human GlyT1c transporter-expressing membranes was carried out as described in Mezler et al., Molecular Pharmacology 74:1705-1715, 2008.
Measurement: Ki < 100 nM (pChEMBL 7)
Descriptors: MW 400.59, ALogP 3.77, HBA 3, HBD 2, PSA 58.2, QED 0.67
Compound (SMILES): CCNC1CCc2ccc(CNS(=O)(=O)c3cn(C)cn3)cc2C1Cc1ccc(F)cc1
InChIKey: ACNWCFDXVXOFLC-UHFFFAOYSA-N
Target: Sodium- and chloride-dependent glycine transporter 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P48067
Assay: Radioligand Binding Assay: Radioligand binding to human GlyT1c transporter-expressing membranes was carried out as described in Mezler et al., Molecular Pharmacology 74:1705-1715, 2008.
Measurement: Ki < 100 nM (pChEMBL 7)
Descriptors: MW 456.59, ALogP 3.29, HBA 5, HBD 2, PSA 76.02, QED 0.55
Compound (SMILES): CCNC1CCc2ccc(CNS(=O)(=O)c3cnn(C)c3)cc2C1Cc1cccc(F)c1
InChIKey: AUAICHGVXPZBBZ-UHFFFAOYSA-N
Target: Sodium- and chloride-dependent glycine transporter 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P48067
Assay: Radioligand Binding Assay: Radioligand binding to human GlyT1c transporter-expressing membranes was carried out as described in Mezler et al., Molecular Pharmacology 74:1705-1715, 2008.
Measurement: Ki < 100 nM (pChEMBL 7)
Descriptors: MW 456.59, ALogP 3.29, HBA 5, HBD 2, PSA 76.02, QED 0.55
Compound (SMILES): CCCS(=O)(=O)NCCCc1ccc2c(c1)C(Cc1ccc(Cl)cc1)C(NC(=O)OC(C)(C)C)CC2
InChIKey: KNGJWSBYIQQVAC-UHFFFAOYSA-N
Target: Sodium- and chloride-dependent glycine transporter 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P48067
Assay: Radioligand Binding Assay: Radioligand binding to human GlyT1c transporter-expressing membranes was carried out as described in Mezler et al., Molecular Pharmacology 74:1705-1715, 2008.
Measurement: Ki < 100 nM (pChEMBL 7)
Descriptors: MW 535.15, ALogP 5.77, HBA 4, HBD 2, PSA 84.5, QED 0.38
Compound (SMILES): NC1CCc2ccc(CCCNS(=O)(=O)CC3CC3)cc2C1Cc1ccc(Cl)cc1
InChIKey: GTLOCDKNYFCLNI-UHFFFAOYSA-N
Target: Sodium- and chloride-dependent glycine transporter 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P48067
Assay: Radioligand Binding Assay: Radioligand binding to human GlyT1c transporter-expressing membranes was carried out as described in Mezler et al., Molecular Pharmacology 74:1705-1715, 2008.
Measurement: Ki < 100 nM (pChEMBL 7)
Descriptors: MW 447.04, ALogP 4.2, HBA 3, HBD 2, PSA 72.19, QED 0.57
Compound (SMILES): CCCS(=O)(=O)NCCCc1ccc2c(c1)C(Cc1ccc(Cl)c(Cl)c1)C(N)CC2
InChIKey: FIPOKRAFDHENLG-UHFFFAOYSA-N
Target: Sodium- and chloride-dependent glycine transporter 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P48067
Assay: Radioligand Binding Assay: Radioligand binding to human GlyT1c transporter-expressing membranes was carried out as described in Mezler et al., Molecular Pharmacology 74:1705-1715, 2008.
Measurement: Ki < 10 nM (pChEMBL 8)
Descriptors: MW 469.48, ALogP 4.86, HBA 3, HBD 2, PSA 72.19, QED 0.52
Compound (SMILES): NC1CCc2ccc(CCCNS(=O)(=O)CC3CC3)cc2C1Cc1ccc(F)c(F)c1
InChIKey: ULJRYBNDRRRMBJ-UHFFFAOYSA-N
Target: Sodium- and chloride-dependent glycine transporter 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P48067
Assay: Radioligand Binding Assay: Radioligand binding to human GlyT1c transporter-expressing membranes was carried out as described in Mezler et al., Molecular Pharmacology 74:1705-1715, 2008.
Measurement: Ki < 100 nM (pChEMBL 7)
Descriptors: MW 448.58, ALogP 3.83, HBA 3, HBD 2, PSA 72.19, QED 0.57
Compound (SMILES): CCCS(=O)(=O)NCCCc1ccc2c(c1)C(Cc1ccccc1)C(N)CC2
InChIKey: RDDVYKBDIYAHDT-UHFFFAOYSA-N
Target: Sodium- and chloride-dependent glycine transporter 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P48067
Assay: Radioligand Binding Assay: Radioligand binding to human GlyT1c transporter-expressing membranes was carried out as described in Mezler et al., Molecular Pharmacology 74:1705-1715, 2008.
Measurement: Ki < 100 nM (pChEMBL 7)
Descriptors: MW 400.59, ALogP 3.55, HBA 3, HBD 2, PSA 72.19, QED 0.63
Compound (SMILES): CCCS(=O)(=O)NCCCc1ccc2c(c1)C(Cc1ccc(F)c(F)c1)C(N)CC2
InChIKey: MKHJADDECCYHKH-UHFFFAOYSA-N
Target: Sodium- and chloride-dependent glycine transporter 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P48067
Assay: Radioligand Binding Assay: Radioligand binding to human GlyT1c transporter-expressing membranes was carried out as described in Mezler et al., Molecular Pharmacology 74:1705-1715, 2008.
Measurement: Ki < 100 nM (pChEMBL 7)
Descriptors: MW 436.57, ALogP 3.83, HBA 3, HBD 2, PSA 72.19, QED 0.59
Compound (SMILES): NC1CCc2ccc(CCCNS(=O)(=O)CC3CC3)cc2C1Cc1ccccc1
InChIKey: KUAWAPSIDJAYOE-UHFFFAOYSA-N
Target: Sodium- and chloride-dependent glycine transporter 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P48067
Assay: Radioligand Binding Assay: Radioligand binding to human GlyT1c transporter-expressing membranes was carried out as described in Mezler et al., Molecular Pharmacology 74:1705-1715, 2008.
Measurement: Ki < 100 nM (pChEMBL 7)
Descriptors: MW 412.6, ALogP 3.55, HBA 3, HBD 2, PSA 72.19, QED 0.62
Compound (SMILES): NC1CCc2ccc(CCCNS(=O)(=O)CC3CC3)cc2C1Cc1ccc(F)cc1
InChIKey: VXBZBEVCCZSBPL-UHFFFAOYSA-N
Target: Sodium- and chloride-dependent glycine transporter 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P48067
Assay: Radioligand Binding Assay: Radioligand binding to human GlyT1c transporter-expressing membranes was carried out as described in Mezler et al., Molecular Pharmacology 74:1705-1715, 2008.
Measurement: Ki < 100 nM (pChEMBL 7)
Descriptors: MW 430.59, ALogP 3.69, HBA 3, HBD 2, PSA 72.19, QED 0.6
Compound (SMILES): CCCS(=O)(=O)NCCCc1ccc2c(c1)C(Cc1cccc(F)c1)C(N)CC2
InChIKey: JFSJPPGMGSZPNT-UHFFFAOYSA-N
Target: Sodium- and chloride-dependent glycine transporter 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P48067
Assay: Radioligand Binding Assay: Radioligand binding to human GlyT1c transporter-expressing membranes was carried out as described in Mezler et al., Molecular Pharmacology 74:1705-1715, 2008.
Measurement: Ki < 100 nM (pChEMBL 7)
Descriptors: MW 418.58, ALogP 3.69, HBA 3, HBD 2, PSA 72.19, QED 0.61
Compound (SMILES): NC1CCc2ccc(CCCNS(=O)(=O)CC3CC3)cc2C1Cc1cccc(F)c1
InChIKey: OLGIDFUWOQKOEG-UHFFFAOYSA-N
Target: Sodium- and chloride-dependent glycine transporter 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P48067
Assay: Radioligand Binding Assay: Radioligand binding to human GlyT1c transporter-expressing membranes was carried out as described in Mezler et al., Molecular Pharmacology 74:1705-1715, 2008.
Measurement: Ki < 100 nM (pChEMBL 7)
Descriptors: MW 430.59, ALogP 3.69, HBA 3, HBD 2, PSA 72.19, QED 0.6
Compound (SMILES): CCCS(=O)(=O)NCCCc1ccc2c(c1)C(Cc1ccccc1Cl)C(N)CC2
InChIKey: JNHHORHIFQEFRN-UHFFFAOYSA-N
Target: Sodium- and chloride-dependent glycine transporter 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P48067
Assay: Radioligand Binding Assay: Radioligand binding to human GlyT1c transporter-expressing membranes was carried out as described in Mezler et al., Molecular Pharmacology 74:1705-1715, 2008.
Measurement: Ki < 1000 nM (pChEMBL 6)
Descriptors: MW 435.03, ALogP 4.2, HBA 3, HBD 2, PSA 72.19, QED 0.58
Compound (SMILES): NC1CCc2ccc(CCCNS(=O)(=O)CC3CC3)cc2C1Cc1ccccc1Cl
InChIKey: ZVYNWTCATPYTNQ-UHFFFAOYSA-N
Target: Sodium- and chloride-dependent glycine transporter 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P48067
Assay: Radioligand Binding Assay: Radioligand binding to human GlyT1c transporter-expressing membranes was carried out as described in Mezler et al., Molecular Pharmacology 74:1705-1715, 2008.
Measurement: Ki < 1000 nM (pChEMBL 6)
Descriptors: MW 447.04, ALogP 4.2, HBA 3, HBD 2, PSA 72.19, QED 0.57
Compound (SMILES): CCCS(=O)(=O)NCCCc1ccc2c(c1)C(Cc1ccc(F)cc1)C(N)CC2
InChIKey: RTHRYZMOKATZKP-UHFFFAOYSA-N
Target: Sodium- and chloride-dependent glycine transporter 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P48067
Assay: Radioligand Binding Assay: Radioligand binding to human GlyT1c transporter-expressing membranes was carried out as described in Mezler et al., Molecular Pharmacology 74:1705-1715, 2008.
Measurement: Ki < 100 nM (pChEMBL 7)
Descriptors: MW 418.58, ALogP 3.69, HBA 3, HBD 2, PSA 72.19, QED 0.61
Compound (SMILES): CCCS(=O)(=O)NCCCc1ccc2c(c1)C(Cc1cccc(F)c1)C(NC(C)=O)CC2
InChIKey: QPFQUKFRKAONTL-UHFFFAOYSA-N
Target: Sodium- and chloride-dependent glycine transporter 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P48067
Assay: Radioligand Binding Assay: Radioligand binding to human GlyT1c transporter-expressing membranes was carried out as described in Mezler et al., Molecular Pharmacology 74:1705-1715, 2008.
Measurement: Ki < 10000 nM (pChEMBL 5)
Descriptors: MW 460.62, ALogP 3.86, HBA 3, HBD 2, PSA 75.27, QED 0.53
Compound (SMILES): CCCS(=O)(=O)NCCCc1ccc2c(c1)C(Cc1ccc(F)cc1)C(NC(C)=O)CC2
InChIKey: KPJAUMQJYMYINR-UHFFFAOYSA-N
Target: Sodium- and chloride-dependent glycine transporter 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P48067
Assay: Radioligand Binding Assay: Radioligand binding to human GlyT1c transporter-expressing membranes was carried out as described in Mezler et al., Molecular Pharmacology 74:1705-1715, 2008.
Measurement: Ki < 10000 nM (pChEMBL 5)
Descriptors: MW 460.62, ALogP 3.86, HBA 3, HBD 2, PSA 75.27, QED 0.53
Compound (SMILES): CC(=O)NC1CCc2ccc(CCCNS(=O)(=O)CC3CC3)cc2C1Cc1ccccc1
InChIKey: RICSOXQKAWQJLZ-UHFFFAOYSA-N
Target: Sodium- and chloride-dependent glycine transporter 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P48067
Assay: Radioligand Binding Assay: Radioligand binding to human GlyT1c transporter-expressing membranes was carried out as described in Mezler et al., Molecular Pharmacology 74:1705-1715, 2008.
Measurement: Ki < 10000 nM (pChEMBL 5)
Descriptors: MW 454.64, ALogP 3.73, HBA 3, HBD 2, PSA 75.27, QED 0.54
Compound (SMILES): CCCS(=O)(=O)NCCCc1ccc2c(c1)C(Cc1ccccc1)C(NC(C)=O)CC2
InChIKey: POZVSLDMQOSFMI-UHFFFAOYSA-N
Target: Sodium- and chloride-dependent glycine transporter 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P48067
Assay: Radioligand Binding Assay: Radioligand binding to human GlyT1c transporter-expressing membranes was carried out as described in Mezler et al., Molecular Pharmacology 74:1705-1715, 2008.
Measurement: Ki < 10000 nM (pChEMBL 5)
Descriptors: MW 442.63, ALogP 3.73, HBA 3, HBD 2, PSA 75.27, QED 0.55
Compound (SMILES): CC(=O)NC1CCc2ccc(CCCNS(=O)(=O)CC3CC3)cc2C1Cc1cccc(F)c1
InChIKey: AEXVTJJXSKIMJK-UHFFFAOYSA-N
Target: Sodium- and chloride-dependent glycine transporter 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P48067
Assay: Radioligand Binding Assay: Radioligand binding to human GlyT1c transporter-expressing membranes was carried out as described in Mezler et al., Molecular Pharmacology 74:1705-1715, 2008.
Measurement: Ki < 10000 nM (pChEMBL 5)
Descriptors: MW 472.63, ALogP 3.86, HBA 3, HBD 2, PSA 75.27, QED 0.52
Compound (SMILES): CCCS(=O)(=O)NCCCc1ccc2c(c1)C(Cc1cccc(F)c1)C(NCC)CC2
InChIKey: YFFAICYILMGPIP-UHFFFAOYSA-N
Target: Sodium- and chloride-dependent glycine transporter 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P48067
Assay: Radioligand Binding Assay: Radioligand binding to human GlyT1c transporter-expressing membranes was carried out as described in Mezler et al., Molecular Pharmacology 74:1705-1715, 2008.
Measurement: Ki < 100 nM (pChEMBL 7)
Descriptors: MW 446.63, ALogP 4.34, HBA 3, HBD 2, PSA 58.2, QED 0.51
Compound (SMILES): CCCS(=O)(=O)NCCCc1ccc2c(c1)C(Cc1ccc(F)cc1)C(NCC)CC2
InChIKey: PSEURHOOYNKARX-UHFFFAOYSA-N
Target: Sodium- and chloride-dependent glycine transporter 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P48067
Assay: Radioligand Binding Assay: Radioligand binding to human GlyT1c transporter-expressing membranes was carried out as described in Mezler et al., Molecular Pharmacology 74:1705-1715, 2008.
Measurement: Ki < 1000 nM (pChEMBL 6)
Descriptors: MW 446.63, ALogP 4.34, HBA 3, HBD 2, PSA 58.2, QED 0.51
Compound (SMILES): CCNC1CCc2ccc(CCCNS(=O)(=O)CC3CC3)cc2C1Cc1cccc(F)c1
InChIKey: CPFHJGAGCFFDMZ-UHFFFAOYSA-N
Target: Sodium- and chloride-dependent glycine transporter 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P48067
Assay: Radioligand Binding Assay: Radioligand binding to human GlyT1c transporter-expressing membranes was carried out as described in Mezler et al., Molecular Pharmacology 74:1705-1715, 2008.
Measurement: Ki < 100 nM (pChEMBL 7)
Descriptors: MW 458.64, ALogP 4.34, HBA 3, HBD 2, PSA 58.2, QED 0.49
Compound (SMILES): CCCS(=O)(=O)NCCCc1ccc2c(c1)C(Cc1ccccc1Cl)C(NCC)CC2
InChIKey: WOLNVEOWZCLXBK-UHFFFAOYSA-N
Target: Sodium- and chloride-dependent glycine transporter 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P48067
Assay: Radioligand Binding Assay: Radioligand binding to human GlyT1c transporter-expressing membranes was carried out as described in Mezler et al., Molecular Pharmacology 74:1705-1715, 2008.
Measurement: Ki < 1000 nM (pChEMBL 6)
Descriptors: MW 463.09, ALogP 4.85, HBA 3, HBD 2, PSA 58.2, QED 0.47
Compound (SMILES): CCCS(=O)(=O)NCCCc1ccc2c(c1)C(Cc1ccccc1)C(NCC)CC2
InChIKey: KQCCVDFBLRKHGL-UHFFFAOYSA-N
Target: Sodium- and chloride-dependent glycine transporter 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P48067
Assay: Radioligand Binding Assay: Radioligand binding to human GlyT1c transporter-expressing membranes was carried out as described in Mezler et al., Molecular Pharmacology 74:1705-1715, 2008.
Measurement: Ki < 100 nM (pChEMBL 7)
Descriptors: MW 428.64, ALogP 4.2, HBA 3, HBD 2, PSA 58.2, QED 0.53
Compound (SMILES): CCNC1CCc2ccc(CCCNS(=O)(=O)CC3CC3)cc2C1Cc1ccccc1
InChIKey: FAYUCAHTDVXZKE-UHFFFAOYSA-N
Target: Sodium- and chloride-dependent glycine transporter 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P48067
Assay: Radioligand Binding Assay: Radioligand binding to human GlyT1c transporter-expressing membranes was carried out as described in Mezler et al., Molecular Pharmacology 74:1705-1715, 2008.
Measurement: Ki < 100 nM (pChEMBL 7)
Descriptors: MW 440.65, ALogP 4.2, HBA 3, HBD 2, PSA 58.2, QED 0.52
Compound (SMILES): CCCS(=O)(=O)NCCCc1ccc2c(c1)C(Cc1ccc(F)c(F)c1)C(NCC)CC2
InChIKey: QHLBSJKIURKQQQ-UHFFFAOYSA-N
Target: Sodium- and chloride-dependent glycine transporter 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P48067
Assay: Radioligand Binding Assay: Radioligand binding to human GlyT1c transporter-expressing membranes was carried out as described in Mezler et al., Molecular Pharmacology 74:1705-1715, 2008.
Measurement: Ki < 100 nM (pChEMBL 7)
Descriptors: MW 464.62, ALogP 4.48, HBA 3, HBD 2, PSA 58.2, QED 0.48
Compound (SMILES): CCNC1CCc2ccc(CCCNS(=O)(=O)CC3CC3)cc2C1Cc1ccc(F)c(F)c1
InChIKey: BLCMOWYYKUQCGE-UHFFFAOYSA-N
Target: Sodium- and chloride-dependent glycine transporter 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P48067
Assay: Radioligand Binding Assay: Radioligand binding to human GlyT1c transporter-expressing membranes was carried out as described in Mezler et al., Molecular Pharmacology 74:1705-1715, 2008.
Measurement: Ki < 100 nM (pChEMBL 7)
Descriptors: MW 476.63, ALogP 4.48, HBA 3, HBD 2, PSA 58.2, QED 0.47
Compound (SMILES): CCCS(=O)(=O)N(C)CCCc1ccc2c(c1)C(Cc1cccc(F)c1)C(N)CC2
InChIKey: SNEWAYMPYBRUPQ-UHFFFAOYSA-N
Target: Sodium- and chloride-dependent glycine transporter 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P48067
Assay: Radioligand Binding Assay: Radioligand binding to human GlyT1c transporter-expressing membranes was carried out as described in Mezler et al., Molecular Pharmacology 74:1705-1715, 2008.
Measurement: Ki < 100 nM (pChEMBL 7)
Descriptors: MW 432.61, ALogP 4.03, HBA 3, HBD 1, PSA 63.4, QED 0.65
Compound (SMILES): CN(CCCc1ccc2c(c1)C(Cc1ccccc1Cl)C(N)CC2)S(=O)(=O)CC1CC1
InChIKey: ZBSATDTXZULWPK-UHFFFAOYSA-N
Target: Sodium- and chloride-dependent glycine transporter 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P48067
Assay: Radioligand Binding Assay: Radioligand binding to human GlyT1c transporter-expressing membranes was carried out as described in Mezler et al., Molecular Pharmacology 74:1705-1715, 2008.
Measurement: Ki < 100 nM (pChEMBL 7)
Descriptors: MW 461.07, ALogP 4.54, HBA 3, HBD 1, PSA 63.4, QED 0.6
Compound (SMILES): CCCS(=O)(=O)N(C)CCCc1ccc2c(c1)C(Cc1ccccc1Cl)C(N)CC2
InChIKey: GCBMTKJZLOMCQF-UHFFFAOYSA-N
Target: Sodium- and chloride-dependent glycine transporter 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P48067
Assay: Radioligand Binding Assay: Radioligand binding to human GlyT1c transporter-expressing membranes was carried out as described in Mezler et al., Molecular Pharmacology 74:1705-1715, 2008.
Measurement: Ki < 1000 nM (pChEMBL 6)
Descriptors: MW 449.06, ALogP 4.54, HBA 3, HBD 1, PSA 63.4, QED 0.61
Compound (SMILES): CN(CCCc1ccc2c(c1)C(Cc1cccc(F)c1)C(N)CC2)S(=O)(=O)CC1CC1
InChIKey: LBXZITBRCBESHX-UHFFFAOYSA-N
Target: Sodium- and chloride-dependent glycine transporter 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P48067
Assay: Radioligand Binding Assay: Radioligand binding to human GlyT1c transporter-expressing membranes was carried out as described in Mezler et al., Molecular Pharmacology 74:1705-1715, 2008.
Measurement: Ki < 10 nM (pChEMBL 8)
Descriptors: MW 444.62, ALogP 4.03, HBA 3, HBD 1, PSA 63.4, QED 0.64
Compound (SMILES): CN(CCCc1ccc2c(c1)C(Cc1ccc(F)cc1)C(N)CC2)S(=O)(=O)CC1CC1
InChIKey: CZZNQFJVVGAYKS-UHFFFAOYSA-N
Target: Sodium- and chloride-dependent glycine transporter 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P48067
Assay: Radioligand Binding Assay: Radioligand binding to human GlyT1c transporter-expressing membranes was carried out as described in Mezler et al., Molecular Pharmacology 74:1705-1715, 2008.
Measurement: Ki < 10 nM (pChEMBL 8)
Descriptors: MW 444.62, ALogP 4.03, HBA 3, HBD 1, PSA 63.4, QED 0.64
Compound (SMILES): CCCS(=O)(=O)N(C)CCCc1ccc2c(c1)C(Cc1ccc(F)cc1)C(N)CC2
InChIKey: WCNGGAWHXGIYKS-UHFFFAOYSA-N
Target: Sodium- and chloride-dependent glycine transporter 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P48067
Assay: Radioligand Binding Assay: Radioligand binding to human GlyT1c transporter-expressing membranes was carried out as described in Mezler et al., Molecular Pharmacology 74:1705-1715, 2008.
Measurement: Ki < 100 nM (pChEMBL 7)
Descriptors: MW 432.61, ALogP 4.03, HBA 3, HBD 1, PSA 63.4, QED 0.65
Compound (SMILES): CN(CCCc1ccc2c(c1)C(Cc1ccc(Cl)cc1)C(N)CC2)S(=O)(=O)CC1CC1
InChIKey: ZWZBYRFAGDXXOP-UHFFFAOYSA-N
Target: Sodium- and chloride-dependent glycine transporter 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P48067
Assay: Radioligand Binding Assay: Radioligand binding to human GlyT1c transporter-expressing membranes was carried out as described in Mezler et al., Molecular Pharmacology 74:1705-1715, 2008.
Measurement: Ki < 100 nM (pChEMBL 7)
Descriptors: MW 461.07, ALogP 4.54, HBA 3, HBD 1, PSA 63.4, QED 0.6
Compound (SMILES): CCCS(=O)(=O)N(C)CCCc1ccc2c(c1)C(Cc1ccc(Cl)cc1)C(N)CC2
InChIKey: YRTNBAZNRCOKHW-UHFFFAOYSA-N
Target: Sodium- and chloride-dependent glycine transporter 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P48067
Assay: Radioligand Binding Assay: Radioligand binding to human GlyT1c transporter-expressing membranes was carried out as described in Mezler et al., Molecular Pharmacology 74:1705-1715, 2008.
Measurement: Ki < 100 nM (pChEMBL 7)
Descriptors: MW 449.06, ALogP 4.54, HBA 3, HBD 1, PSA 63.4, QED 0.61
Compound (SMILES): NC1CCc2ccc(OCCNS(=O)(=O)CC3CC3)cc2C1Cc1cccc(F)c1
InChIKey: BVNAPVIOPJPIJW-UHFFFAOYSA-N
Target: Sodium- and chloride-dependent glycine transporter 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P48067
Assay: Radioligand Binding Assay: Radioligand binding to human GlyT1c transporter-expressing membranes was carried out as described in Mezler et al., Molecular Pharmacology 74:1705-1715, 2008.
Measurement: Ki < 10 nM (pChEMBL 8)
Descriptors: MW 432.56, ALogP 3.13, HBA 4, HBD 2, PSA 81.42, QED 0.6
Compound (SMILES): CCOC(=O)NC1CCc2ccc(OCCNS(=O)(=O)c3ccn(C)c3)cc2C1Cc1cc(F)cc(F)c1
InChIKey: QZUOGTHMZFUITN-UHFFFAOYSA-N
Target: Sodium- and chloride-dependent glycine transporter 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P48067
Assay: Radioligand Binding Assay: Radioligand binding to human GlyT1c transporter-expressing membranes was carried out as described in Mezler et al., Molecular Pharmacology 74:1705-1715, 2008.
Measurement: Ki < 1000 nM (pChEMBL 6)
Descriptors: MW 547.62, ALogP 4.05, HBA 6, HBD 2, PSA 98.66, QED 0.37
Compound (SMILES): CCOC(=O)NC1CCc2ccc(OCCNS(=O)(=O)CC3CC3)cc2C1Cc1cc(F)cc(F)c1
InChIKey: JWCLCNVLUDVQNM-UHFFFAOYSA-N
Target: Sodium- and chloride-dependent glycine transporter 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P48067
Assay: Radioligand Binding Assay: Radioligand binding to human GlyT1c transporter-expressing membranes was carried out as described in Mezler et al., Molecular Pharmacology 74:1705-1715, 2008.
Measurement: Ki < 10000 nM (pChEMBL 5)
Descriptors: MW 522.61, ALogP 4.06, HBA 5, HBD 2, PSA 93.73, QED 0.43
Compound (SMILES): Cn1cnc(S(=O)(=O)NCCOc2ccc3c(c2)C(Cc2ccccc2)C(N)CC3)c1
InChIKey: NWPXTIFEDMNRLX-UHFFFAOYSA-N
Target: Sodium- and chloride-dependent glycine transporter 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P48067
Assay: Radioligand Binding Assay: Radioligand binding to human GlyT1c transporter-expressing membranes was carried out as described in Mezler et al., Molecular Pharmacology 74:1705-1715, 2008.
Measurement: Ki < 10 nM (pChEMBL 8)
Descriptors: MW 440.57, ALogP 2.38, HBA 6, HBD 2, PSA 99.24, QED 0.52
Compound (SMILES): CNC1CCc2ccc(OCCNS(=O)(=O)CC3CC3)cc2C1Cc1cccc(F)c1
InChIKey: FWLGKXSTJRFQRI-UHFFFAOYSA-N
Target: Sodium- and chloride-dependent glycine transporter 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P48067
Assay: Radioligand Binding Assay: Radioligand binding to human GlyT1c transporter-expressing membranes was carried out as described in Mezler et al., Molecular Pharmacology 74:1705-1715, 2008.
Measurement: Ki < 1000 nM (pChEMBL 6)
Descriptors: MW 446.59, ALogP 3.39, HBA 4, HBD 2, PSA 67.43, QED 0.55
Compound (SMILES): CNC1CCc2ccc(OCCNS(=O)(=O)c3ccn(C)c3)cc2C1Cc1cc(F)cc(F)c1
InChIKey: QBVQYBBXPXKGMD-UHFFFAOYSA-N
Target: Sodium- and chloride-dependent glycine transporter 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P48067
Assay: Radioligand Binding Assay: Radioligand binding to human GlyT1c transporter-expressing membranes was carried out as described in Mezler et al., Molecular Pharmacology 74:1705-1715, 2008.
Measurement: Ki < 100 nM (pChEMBL 7)
Descriptors: MW 489.59, ALogP 3.52, HBA 5, HBD 2, PSA 72.36, QED 0.45
Compound (SMILES): CNC1CCc2ccc(OCCNS(=O)(=O)CC3CC3)cc2C1Cc1cc(F)cc(F)c1
InChIKey: AZXWLSKDDWEMOJ-UHFFFAOYSA-N
Target: Sodium- and chloride-dependent glycine transporter 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P48067
Assay: Radioligand Binding Assay: Radioligand binding to human GlyT1c transporter-expressing membranes was carried out as described in Mezler et al., Molecular Pharmacology 74:1705-1715, 2008.
Measurement: Ki < 10 nM (pChEMBL 8)
Descriptors: MW 464.58, ALogP 3.53, HBA 4, HBD 2, PSA 67.43, QED 0.53
Compound (SMILES): CCCS(=O)(=O)NCc1ccc2c(c1)C(Cc1ccccc1)C(N1CCC1)CC2
InChIKey: SLCSSVAVCXUAJF-UHFFFAOYSA-N
Target: Sodium- and chloride-dependent glycine transporter 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P48067
Assay: Radioligand Binding Assay: Radioligand binding to human GlyT1c transporter-expressing membranes was carried out as described in Mezler et al., Molecular Pharmacology 74:1705-1715, 2008.
Measurement: Ki < 10 nM (pChEMBL 8)
Descriptors: MW 412.6, ALogP 3.86, HBA 3, HBD 1, PSA 49.41, QED 0.72
Compound (SMILES): Cn1cc(S(=O)(=O)NCc2ccc3c(c2)C(Cc2ccccc2)C(N2CCC2)CC3)cn1
InChIKey: PDMQSXJIJAOVHK-UHFFFAOYSA-N
Target: Sodium- and chloride-dependent glycine transporter 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P48067
Assay: Radioligand Binding Assay: Radioligand binding to human GlyT1c transporter-expressing membranes was carried out as described in Mezler et al., Molecular Pharmacology 74:1705-1715, 2008.
Measurement: Ki < 100 nM (pChEMBL 7)
Descriptors: MW 450.61, ALogP 3.25, HBA 5, HBD 1, PSA 67.23, QED 0.6
Compound (SMILES): Cn1ccc(S(=O)(=O)NCc2ccc3c(c2)C(Cc2ccccc2)C(N2CCC2)CC3)c1
InChIKey: NQXTZAPPGPUTRY-UHFFFAOYSA-N
Target: Sodium- and chloride-dependent glycine transporter 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P48067
Assay: Radioligand Binding Assay: Radioligand binding to human GlyT1c transporter-expressing membranes was carried out as described in Mezler et al., Molecular Pharmacology 74:1705-1715, 2008.
Measurement: Ki < 10 nM (pChEMBL 8)
Descriptors: MW 449.62, ALogP 3.85, HBA 4, HBD 1, PSA 54.34, QED 0.6
Compound (SMILES): Cn1cnc(S(=O)(=O)NCc2ccc3c(c2)C(Cc2ccccc2)C(N2CCC2)CC3)c1
InChIKey: LEUBHBGUPVLRLA-UHFFFAOYSA-N
Target: Sodium- and chloride-dependent glycine transporter 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P48067
Assay: Radioligand Binding Assay: Radioligand binding to human GlyT1c transporter-expressing membranes was carried out as described in Mezler et al., Molecular Pharmacology 74:1705-1715, 2008.
Measurement: Ki < 100 nM (pChEMBL 7)
Descriptors: MW 450.61, ALogP 3.25, HBA 5, HBD 1, PSA 67.23, QED 0.6
Compound (SMILES): O=S(=O)(NCc1ccc2c(c1)C(Cc1ccccc1)C(N1CCC1)CC2)c1ccccn1
InChIKey: ROJFAOIYWJTGGZ-UHFFFAOYSA-N
Target: Sodium- and chloride-dependent glycine transporter 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P48067
Assay: Radioligand Binding Assay: Radioligand binding to human GlyT1c transporter-expressing membranes was carried out as described in Mezler et al., Molecular Pharmacology 74:1705-1715, 2008.
Measurement: Ki < 10 nM (pChEMBL 8)
Descriptors: MW 447.6, ALogP 3.91, HBA 4, HBD 1, PSA 62.3, QED 0.6
Compound (SMILES): O=S(=O)(NCc1ccc2c(c1)C(Cc1ccccc1)C(N1CCC1)CC2)c1cccs1
InChIKey: TXSXVEIGEWJQGO-UHFFFAOYSA-N
Target: Sodium- and chloride-dependent glycine transporter 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P48067
Assay: Radioligand Binding Assay: Radioligand binding to human GlyT1c transporter-expressing membranes was carried out as described in Mezler et al., Molecular Pharmacology 74:1705-1715, 2008.
Measurement: Ki < 10 nM (pChEMBL 8)
Descriptors: MW 452.65, ALogP 4.57, HBA 4, HBD 1, PSA 49.41, QED 0.57
Compound (SMILES): Cn1cnc(S(=O)(=O)NCc2ccc3c(c2)C(Cc2cccc(F)c2)C(N2CCC2)CC3)c1
InChIKey: AWMOCMUPVJTTMP-UHFFFAOYSA-N
Target: Sodium- and chloride-dependent glycine transporter 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P48067
Assay: Radioligand Binding Assay: Radioligand binding to human GlyT1c transporter-expressing membranes was carried out as described in Mezler et al., Molecular Pharmacology 74:1705-1715, 2008.
Measurement: Ki < 1000 nM (pChEMBL 6)
Descriptors: MW 468.6, ALogP 3.38, HBA 5, HBD 1, PSA 67.23, QED 0.58
Compound (SMILES): Cn1cnc(S(=O)(=O)NCc2ccc3c(c2)C(Cc2ccccc2)C(N2CCOCC2)CC3)c1
InChIKey: DTRCNBPRAZZCLL-UHFFFAOYSA-N
Target: Sodium- and chloride-dependent glycine transporter 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P48067
Assay: Radioligand Binding Assay: Radioligand binding to human GlyT1c transporter-expressing membranes was carried out as described in Mezler et al., Molecular Pharmacology 74:1705-1715, 2008.
Measurement: Ki < 100 nM (pChEMBL 7)
Descriptors: MW 480.63, ALogP 2.87, HBA 6, HBD 1, PSA 76.46, QED 0.56
Compound (SMILES): Cn1cc(S(=O)(=O)NCc2ccc3c(c2)C(Cc2ccccc2)C(N2CCOCC2)CC3)cn1
InChIKey: HIYMEUSDCAMDPP-UHFFFAOYSA-N
Target: Sodium- and chloride-dependent glycine transporter 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P48067
Assay: Radioligand Binding Assay: Radioligand binding to human GlyT1c transporter-expressing membranes was carried out as described in Mezler et al., Molecular Pharmacology 74:1705-1715, 2008.
Measurement: Ki < 100 nM (pChEMBL 7)
Descriptors: MW 480.63, ALogP 2.87, HBA 6, HBD 1, PSA 76.46, QED 0.56
Compound (SMILES): O=S(=O)(CC1CC1)NCc1ccc2c(c1)C(Cc1ccccc1)C(N1CCOCC1)CC2
InChIKey: JMHXILDHAFXVDH-UHFFFAOYSA-N
Target: Sodium- and chloride-dependent glycine transporter 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P48067
Assay: Radioligand Binding Assay: Radioligand binding to human GlyT1c transporter-expressing membranes was carried out as described in Mezler et al., Molecular Pharmacology 74:1705-1715, 2008.
Measurement: Ki < 100 nM (pChEMBL 7)
Descriptors: MW 454.64, ALogP 3.49, HBA 4, HBD 1, PSA 58.64, QED 0.66
Compound (SMILES): CCCS(=O)(=O)NCc1ccc2c(c1)C(Cc1ccccc1)C(N1CCOCC1)CC2
InChIKey: PHIZGZHMUCAEAL-UHFFFAOYSA-N
Target: Sodium- and chloride-dependent glycine transporter 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P48067
Assay: Radioligand Binding Assay: Radioligand binding to human GlyT1c transporter-expressing membranes was carried out as described in Mezler et al., Molecular Pharmacology 74:1705-1715, 2008.
Measurement: Ki < 1000 nM (pChEMBL 6)
Descriptors: MW 442.63, ALogP 3.49, HBA 4, HBD 1, PSA 58.64, QED 0.68
Compound (SMILES): O=S(=O)(NCc1ccc2c(c1)C(Cc1ccccc1)C(N1CCOCC1)CC2)C1CCC1
InChIKey: OALYMIOJDKUBHX-UHFFFAOYSA-N
Target: Sodium- and chloride-dependent glycine transporter 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P48067
Assay: Radioligand Binding Assay: Radioligand binding to human GlyT1c transporter-expressing membranes was carried out as described in Mezler et al., Molecular Pharmacology 74:1705-1715, 2008.
Measurement: Ki < 1000 nM (pChEMBL 6)
Descriptors: MW 454.64, ALogP 3.63, HBA 4, HBD 1, PSA 58.64, QED 0.69
Compound (SMILES): Cn1cnc(S(=O)(=O)NCc2ccc3c(c2)C(Cc2ccccc2)C(N2CCCC2)CC3)c1
InChIKey: CBNRDLAQONVDTJ-UHFFFAOYSA-N
Target: Sodium- and chloride-dependent glycine transporter 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P48067
Assay: Radioligand Binding Assay: Radioligand binding to human GlyT1c transporter-expressing membranes was carried out as described in Mezler et al., Molecular Pharmacology 74:1705-1715, 2008.
Measurement: Ki < 1000 nM (pChEMBL 6)
Descriptors: MW 464.64, ALogP 3.64, HBA 5, HBD 1, PSA 67.23, QED 0.58
Compound (SMILES): Cn1cnc(S(=O)(=O)NCc2ccc3c(c2)C(Cc2ccccc2)C(N2CCCC2=O)CC3)c1
InChIKey: QRQNFGXMKCGVEU-UHFFFAOYSA-N
Target: Sodium- and chloride-dependent glycine transporter 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P48067
Assay: Radioligand Binding Assay: Radioligand binding to human GlyT1c transporter-expressing membranes was carried out as described in Mezler et al., Molecular Pharmacology 74:1705-1715, 2008.
Measurement: Ki < 100 nM (pChEMBL 7)
Descriptors: MW 478.62, ALogP 3.16, HBA 5, HBD 1, PSA 84.3, QED 0.57
Compound (SMILES): COc1ccc2c(c1)C(Cc1cccc(Cl)c1)C(N1CCCC1)CC2
InChIKey: FTDOGARXMALEGF-UHFFFAOYSA-N
Target: Sodium- and chloride-dependent glycine transporter 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P48067
Assay: Radioligand Binding Assay: Radioligand binding to human GlyT1c transporter-expressing membranes was carried out as described in Mezler et al., Molecular Pharmacology 74:1705-1715, 2008.
Measurement: Ki < 1000 nM (pChEMBL 6)
Descriptors: MW 355.91, ALogP 5.09, HBA 2, HBD 0, PSA 12.47, QED 0.76
Compound (SMILES): CCCS(=O)(=O)NCCCc1ccc2c(c1)C(Cc1ccccc1)C(N1CCCC1)CC2
InChIKey: LSLNVDDIXDWUPB-UHFFFAOYSA-N
Target: Sodium- and chloride-dependent glycine transporter 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P48067
Assay: Radioligand Binding Assay: Radioligand binding to human GlyT1c transporter-expressing membranes was carried out as described in Mezler et al., Molecular Pharmacology 74:1705-1715, 2008.
Measurement: Ki < 1000 nM (pChEMBL 6)
Descriptors: MW 454.68, ALogP 4.69, HBA 3, HBD 1, PSA 49.41, QED 0.53
Compound (SMILES): O=S(=O)(CC1CC1)NCCCc1ccc2c(c1)C(Cc1ccccc1)C(N1CCCC1)CC2
InChIKey: WLUHDAOVWCJZIX-UHFFFAOYSA-N
Target: Sodium- and chloride-dependent glycine transporter 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P48067
Assay: Radioligand Binding Assay: Radioligand binding to human GlyT1c transporter-expressing membranes was carried out as described in Mezler et al., Molecular Pharmacology 74:1705-1715, 2008.
Measurement: Ki < 1000 nM (pChEMBL 6)
Descriptors: MW 466.69, ALogP 4.69, HBA 3, HBD 1, PSA 49.41, QED 0.52
Compound (SMILES): Oc1ccc2c(c1)C(Cc1cccc(F)c1)C(N1CCCC1)CC2
InChIKey: ZWYPYSDMZGMNEO-UHFFFAOYSA-N
Target: Sodium- and chloride-dependent glycine transporter 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P48067
Assay: Radioligand Binding Assay: Radioligand binding to human GlyT1c transporter-expressing membranes was carried out as described in Mezler et al., Molecular Pharmacology 74:1705-1715, 2008.
Measurement: Ki < 1000 nM (pChEMBL 6)
Descriptors: MW 325.43, ALogP 4.27, HBA 2, HBD 1, PSA 23.47, QED 0.91
Compound (SMILES): Cn1ccc(S(=O)(=O)NCCOc2ccc3c(c2)C(Cc2ccccc2)C(N2CCC2)CC3)c1
InChIKey: NBLWAKPCJUPYND-UHFFFAOYSA-N
Target: Sodium- and chloride-dependent glycine transporter 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P48067
Assay: Radioligand Binding Assay: Radioligand binding to human GlyT1c transporter-expressing membranes was carried out as described in Mezler et al., Molecular Pharmacology 74:1705-1715, 2008.
Measurement: Ki < 100 nM (pChEMBL 7)
Descriptors: MW 479.65, ALogP 3.73, HBA 5, HBD 1, PSA 63.57, QED 0.48
Compound (SMILES): Cn1ccc(S(=O)(=O)NCCOc2ccc3c(c2)C(Cc2cccc(F)c2)C(N2CCC2)CC3)c1
InChIKey: MOVXJSMSAWCURW-UHFFFAOYSA-N
Target: Sodium- and chloride-dependent glycine transporter 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P48067
Assay: Radioligand Binding Assay: Radioligand binding to human GlyT1c transporter-expressing membranes was carried out as described in Mezler et al., Molecular Pharmacology 74:1705-1715, 2008.
Measurement: Ki < 10 nM (pChEMBL 8)
Descriptors: MW 497.64, ALogP 3.87, HBA 5, HBD 1, PSA 63.57, QED 0.46
Compound (SMILES): CCC(=O)NC1CCc2ccc(OCCNS(=O)(=O)c3ccn(C)c3)cc2C1Cc1ccccc1
InChIKey: QDBRZAUREOFPNF-UHFFFAOYSA-N
Target: Sodium- and chloride-dependent glycine transporter 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P48067
Assay: Radioligand Binding Assay: Radioligand binding to human GlyT1c transporter-expressing membranes was carried out as described in Mezler et al., Molecular Pharmacology 74:1705-1715, 2008.
Measurement: Ki < 10 nM (pChEMBL 8)
Descriptors: MW 495.65, ALogP 3.55, HBA 5, HBD 2, PSA 89.43, QED 0.42
Compound (SMILES): Cn1ccc(S(=O)(=O)NCCOc2ccc3c(c2)C(Cc2cc(F)cc(F)c2)C(NC=O)CC3)c1
InChIKey: ZPKTZZFUEATCLU-UHFFFAOYSA-N
Target: Sodium- and chloride-dependent glycine transporter 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P48067
Assay: Radioligand Binding Assay: Radioligand binding to human GlyT1c transporter-expressing membranes was carried out as described in Mezler et al., Molecular Pharmacology 74:1705-1715, 2008.
Measurement: Ki < 100 nM (pChEMBL 7)
Descriptors: MW 503.57, ALogP 3.05, HBA 5, HBD 2, PSA 89.43, QED 0.33
Compound (SMILES): CCCS(=O)(=O)NCCCc1ccc2c(c1)C(Cc1ccc(Cl)c(Cl)c1)C(NC(C)C)CC2
InChIKey: SKFAEKQGAGCXQZ-UHFFFAOYSA-N
Target: Sodium- and chloride-dependent glycine transporter 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P48067
Assay: Radioligand Binding Assay: Radioligand binding to human GlyT1c transporter-expressing membranes was carried out as described in Mezler et al., Molecular Pharmacology 74:1705-1715, 2008.
Measurement: Ki < 100 nM (pChEMBL 7)
Descriptors: MW 511.56, ALogP 5.89, HBA 3, HBD 2, PSA 58.2, QED 0.37
Compound (SMILES): CCCS(=O)(=O)NCCCc1ccc2c(c1)C(Cc1ccccc1)C(NC(C)C)CC2
InChIKey: YNFYNSIDVJUEPK-UHFFFAOYSA-N
Target: Sodium- and chloride-dependent glycine transporter 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P48067
Assay: Radioligand Binding Assay: Radioligand binding to human GlyT1c transporter-expressing membranes was carried out as described in Mezler et al., Molecular Pharmacology 74:1705-1715, 2008.
Measurement: Ki < 1000 nM (pChEMBL 6)
Descriptors: MW 442.67, ALogP 4.59, HBA 3, HBD 2, PSA 58.2, QED 0.5
Compound (SMILES): CCN(CC)C1CCc2ccc(CCCNS(=O)(=O)CC3CC3)cc2C1Cc1ccc(Cl)cc1
InChIKey: QBDNZKACLDDLNA-UHFFFAOYSA-N
Target: Sodium- and chloride-dependent glycine transporter 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P48067
Assay: Radioligand Binding Assay: Radioligand binding to human GlyT1c transporter-expressing membranes was carried out as described in Mezler et al., Molecular Pharmacology 74:1705-1715, 2008.
Measurement: Ki < 100 nM (pChEMBL 7)
Descriptors: MW 503.15, ALogP 5.58, HBA 3, HBD 1, PSA 49.41, QED 0.39
Compound (SMILES): CCCS(=O)(=O)N(C)Cc1ccc2c(c1)C(Cc1ccccc1)C(NC)CC2
InChIKey: JKCYUIBVMXBRCG-UHFFFAOYSA-N
Target: Sodium- and chloride-dependent glycine transporter 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P48067
Assay: Radioligand Binding Assay: Radioligand binding to human GlyT1c transporter-expressing membranes was carried out as described in Mezler et al., Molecular Pharmacology 74:1705-1715, 2008.
Measurement: Ki < 100 nM (pChEMBL 7)
Descriptors: MW 400.59, ALogP 3.72, HBA 3, HBD 1, PSA 49.41, QED 0.73
Compound (SMILES): CCCS(=O)(=O)NCC#Cc1ccc2c(c1)C(Cc1ccccc1)C(NC(C)=O)CC2
InChIKey: AXYWUWDVVUEZLU-UHFFFAOYSA-N
Target: Sodium- and chloride-dependent glycine transporter 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P48067
Assay: Radioligand Binding Assay: Radioligand binding to human GlyT1c transporter-expressing membranes was carried out as described in Mezler et al., Molecular Pharmacology 74:1705-1715, 2008.
Measurement: Ki < 10000 nM (pChEMBL 5)
Descriptors: MW 438.59, ALogP 3.14, HBA 3, HBD 2, PSA 75.27, QED 0.65
Compound (SMILES): CCCS(=O)(=O)N(CCOc1ccc2c(c1)C(Cc1cccc(Cl)c1)C(NC(=O)OCC)CC2)C1CC1
InChIKey: FSCMHGBDGYCXGD-UHFFFAOYSA-N
Target: Sodium- and chloride-dependent glycine transporter 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P48067
Assay: Radioligand Binding Assay: Radioligand binding to human GlyT1c transporter-expressing membranes was carried out as described in Mezler et al., Molecular Pharmacology 74:1705-1715, 2008.
Measurement: Ki < 10000 nM (pChEMBL 5)
Descriptors: MW 549.13, ALogP 5.31, HBA 5, HBD 1, PSA 84.94, QED 0.39
Compound (SMILES): CCCS(=O)(=O)N(CCOc1ccc2c(c1)C(Cc1ccccc1)C(NC(=O)OCC)CC2)C1CC1
InChIKey: FFVZKAXGDXOCOY-UHFFFAOYSA-N
Target: Sodium- and chloride-dependent glycine transporter 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P48067
Assay: Radioligand Binding Assay: Radioligand binding to human GlyT1c transporter-expressing membranes was carried out as described in Mezler et al., Molecular Pharmacology 74:1705-1715, 2008.
Measurement: Ki < 10000 nM (pChEMBL 5)
Descriptors: MW 514.69, ALogP 4.66, HBA 5, HBD 1, PSA 84.94, QED 0.45
Compound (SMILES): CCCS(=O)(=O)N(CCOc1ccc2c(c1)C(Cc1cccc(Cl)c1)C(N)CC2)C1CC1
InChIKey: CYVMXGATJLEPGB-UHFFFAOYSA-N
Target: Sodium- and chloride-dependent glycine transporter 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P48067
Assay: Radioligand Binding Assay: Radioligand binding to human GlyT1c transporter-expressing membranes was carried out as described in Mezler et al., Molecular Pharmacology 74:1705-1715, 2008.
Measurement: Ki < 100 nM (pChEMBL 7)
Descriptors: MW 477.07, ALogP 4.52, HBA 4, HBD 1, PSA 72.63, QED 0.55
Compound (SMILES): CCCS(=O)(=O)N(CCOc1ccc2c(c1)C(Cc1ccccc1)C(N)CC2)C1CC1
InChIKey: VOKYQMGCQIHDFU-UHFFFAOYSA-N
Target: Sodium- and chloride-dependent glycine transporter 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P48067
Assay: Radioligand Binding Assay: Radioligand binding to human GlyT1c transporter-expressing membranes was carried out as described in Mezler et al., Molecular Pharmacology 74:1705-1715, 2008.
Measurement: Ki < 100 nM (pChEMBL 7)
Descriptors: MW 442.63, ALogP 3.87, HBA 4, HBD 1, PSA 72.63, QED 0.61
Compound (SMILES): CCCS(=O)(=O)N1CC(c2ccc3c(c2)C(Cc2cccc(Cl)c2)C(N)CC3)C1
InChIKey: DPMPBUSBSLJNJI-UHFFFAOYSA-N
Target: Sodium- and chloride-dependent glycine transporter 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P48067
Assay: Radioligand Binding Assay: Radioligand binding to human GlyT1c transporter-expressing membranes was carried out as described in Mezler et al., Molecular Pharmacology 74:1705-1715, 2008.
Measurement: Ki < 1000 nM (pChEMBL 6)
Descriptors: MW 433.02, ALogP 4.08, HBA 3, HBD 1, PSA 63.4, QED 0.75
Compound (SMILES): CCCS(=O)(=O)N1CC(c2ccc3c(c2)C(Cc2ccccc2)C(N)CC3)C1
InChIKey: IANRWCRHABAVHX-UHFFFAOYSA-N
Target: Sodium- and chloride-dependent glycine transporter 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P48067
Assay: Radioligand Binding Assay: Radioligand binding to human GlyT1c transporter-expressing membranes was carried out as described in Mezler et al., Molecular Pharmacology 74:1705-1715, 2008.
Measurement: Ki < 1000 nM (pChEMBL 6)
Descriptors: MW 398.57, ALogP 3.43, HBA 3, HBD 1, PSA 63.4, QED 0.81
Compound (SMILES): CCCS(=O)(=O)N1CC(COc2ccc3c(c2)C(Cc2cccc(Cl)c2)C(NC(=O)OCC)CC3)C1
InChIKey: HRMURBAIJGSNMA-UHFFFAOYSA-N
Target: Sodium- and chloride-dependent glycine transporter 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P48067
Assay: Radioligand Binding Assay: Radioligand binding to human GlyT1c transporter-expressing membranes was carried out as described in Mezler et al., Molecular Pharmacology 74:1705-1715, 2008.
Measurement: Ki < 10000 nM (pChEMBL 5)
Descriptors: MW 535.11, ALogP 4.78, HBA 5, HBD 1, PSA 84.94, QED 0.47
Compound (SMILES): CCCS(=O)(=O)N1CC(COc2ccc3c(c2)C(Cc2cccc(Cl)c2)C(N)CC3)C1
InChIKey: DZEKCFUHRSRYIP-UHFFFAOYSA-N
Target: Sodium- and chloride-dependent glycine transporter 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P48067
Assay: Radioligand Binding Assay: Radioligand binding to human GlyT1c transporter-expressing membranes was carried out as described in Mezler et al., Molecular Pharmacology 74:1705-1715, 2008.
Measurement: Ki < 10000 nM (pChEMBL 5)
Descriptors: MW 463.04, ALogP 3.99, HBA 4, HBD 1, PSA 72.63, QED 0.64
Compound (SMILES): CCOC(=O)NC1CCc2ccc(OCCNS(=O)(=O)CC3CC3)cc2C1Cc1cccc(Cl)c1
InChIKey: MKFHNJSUKUMJIY-UHFFFAOYSA-N
Target: Sodium- and chloride-dependent glycine transporter 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P48067
Assay: Radioligand Binding Assay: Radioligand binding to human GlyT1c transporter-expressing membranes was carried out as described in Mezler et al., Molecular Pharmacology 74:1705-1715, 2008.
Measurement: Ki < 10000 nM (pChEMBL 5)
Descriptors: MW 521.08, ALogP 4.44, HBA 5, HBD 2, PSA 93.73, QED 0.43
Compound (SMILES): NC1CCc2ccc(OCCNS(=O)(=O)CC3CC3)cc2C1Cc1cccc(Cl)c1
InChIKey: ARGQHYFUQIQHEO-UHFFFAOYSA-N
Target: Sodium- and chloride-dependent glycine transporter 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P48067
Assay: Radioligand Binding Assay: Radioligand binding to human GlyT1c transporter-expressing membranes was carried out as described in Mezler et al., Molecular Pharmacology 74:1705-1715, 2008.
Measurement: Ki < 10 nM (pChEMBL 8)
Descriptors: MW 449.02, ALogP 3.65, HBA 4, HBD 2, PSA 81.42, QED 0.57
Compound (SMILES): CCOC(=O)NC1CCc2ccc(OCC3CN(S(=O)(=O)CC4CC4)C3)cc2C1Cc1cccc(Cl)c1
InChIKey: YTQPCTLKMSBLFX-UHFFFAOYSA-N
Target: Sodium- and chloride-dependent glycine transporter 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P48067
Assay: Radioligand Binding Assay: Radioligand binding to human GlyT1c transporter-expressing membranes was carried out as described in Mezler et al., Molecular Pharmacology 74:1705-1715, 2008.
Measurement: Ki > 10000 nM (pChEMBL 5)
Descriptors: MW 547.12, ALogP 4.78, HBA 5, HBD 1, PSA 84.94, QED 0.46
Compound (SMILES): CCOC(=O)NC1CCc2ccc(OCCN(C)S(=O)(=O)CC3CC3)cc2C1Cc1cccc(Cl)c1
InChIKey: LFEPLJFOEOEBGL-UHFFFAOYSA-N
Target: Sodium- and chloride-dependent glycine transporter 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P48067
Assay: Radioligand Binding Assay: Radioligand binding to human GlyT1c transporter-expressing membranes was carried out as described in Mezler et al., Molecular Pharmacology 74:1705-1715, 2008.
Measurement: Ki < 10000 nM (pChEMBL 5)
Descriptors: MW 535.11, ALogP 4.78, HBA 5, HBD 1, PSA 84.94, QED 0.45
Compound (SMILES): CN(CCOc1ccc2c(c1)C(Cc1cccc(Cl)c1)C(N)CC2)S(=O)(=O)CC1CC1
InChIKey: GPBWNJIKIOCLPN-UHFFFAOYSA-N
Target: Sodium- and chloride-dependent glycine transporter 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P48067
Assay: Radioligand Binding Assay: Radioligand binding to human GlyT1c transporter-expressing membranes was carried out as described in Mezler et al., Molecular Pharmacology 74:1705-1715, 2008.
Measurement: Ki < 10 nM (pChEMBL 8)
Descriptors: MW 463.04, ALogP 3.99, HBA 4, HBD 1, PSA 72.63, QED 0.61
Compound (SMILES): CCCS(=O)(=O)N1CC(COc2ccc3c(c2)C(Cc2ccccc2)C(N)CC3)C1
InChIKey: QESOFHQCDQDCQF-UHFFFAOYSA-N
Target: Sodium- and chloride-dependent glycine transporter 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P48067
Assay: Radioligand Binding Assay: Radioligand binding to human GlyT1c transporter-expressing membranes was carried out as described in Mezler et al., Molecular Pharmacology 74:1705-1715, 2008.
Measurement: Ki < 1000 nM (pChEMBL 6)
Descriptors: MW 428.6, ALogP 3.34, HBA 4, HBD 1, PSA 72.63, QED 0.7
Compound (SMILES): CCCS(=O)(=O)NCCOc1ccc2c(c1)C(Cc1ccccc1Cl)C(N)CC2
InChIKey: SNGRJBVCJVBQSD-UHFFFAOYSA-N
Target: Sodium- and chloride-dependent glycine transporter 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P48067
Assay: Radioligand Binding Assay: Radioligand binding to human GlyT1c transporter-expressing membranes was carried out as described in Mezler et al., Molecular Pharmacology 74:1705-1715, 2008.
Measurement: Ki < 1000 nM (pChEMBL 6)
Descriptors: MW 437.01, ALogP 3.65, HBA 4, HBD 2, PSA 81.42, QED 0.59
Compound (SMILES): NC1CCc2ccc(OCCNS(=O)(=O)C3CC3)cc2C1Cc1ccccc1Cl
InChIKey: OVOTWUXYGISXHK-UHFFFAOYSA-N
Target: Sodium- and chloride-dependent glycine transporter 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P48067
Assay: Radioligand Binding Assay: Radioligand binding to human GlyT1c transporter-expressing membranes was carried out as described in Mezler et al., Molecular Pharmacology 74:1705-1715, 2008.
Measurement: Ki < 10000 nM (pChEMBL 5)
Descriptors: MW 434.99, ALogP 3.4, HBA 4, HBD 2, PSA 81.42, QED 0.62