lovingscience/chembl-v37-raw-activities huggingface dataset:
Compound (SMILES): CCc1cccc(CC)c1NS(=O)(=O)Nc1ccc2[nH]nc(-c3cccc(S(N)(=O)=O)c3)c2c1
InChIKey: KROAZOCVJWGDMN-UHFFFAOYSA-N
Target: Dual specificity protein kinase TTK (SINGLE PROTEIN), Homo sapiens
UniProt: P33981
Assay: Inhibition of SUMO-tagged human TTK (1-275 residues) compound pre-incubated for 15 mins prior ATP addition by MBP-based assay
Measurement: IC50 = 2600 nM (pChEMBL 5.579999923706055)
Descriptors: MW 499.62, ALogP 3.77, HBA 5, HBD 4, PSA 147.04, QED 0.29
Compound (SMILES): NS(=O)(=O)c1cccc(-c2n[nH]c3ccc(C(=O)NCc4ccccc4)cc23)c1
InChIKey: FAMWOWZEJKDGFC-UHFFFAOYSA-N
Target: Dual specificity protein kinase TTK (SINGLE PROTEIN), Homo sapiens
UniProt: P33981
Assay: Inhibition of SUMO-tagged human TTK (1-275 residues) compound pre-incubated for 15 mins prior ATP addition by MBP-based assay
Measurement: IC50 = 90 nM (pChEMBL 7.050000190734863)
Descriptors: MW 406.47, ALogP 2.81, HBA 4, HBD 3, PSA 117.94, QED 0.47
Compound (SMILES): NS(=O)(=O)c1cccc(-c2n[nH]c3ccc(C(=O)NCc4cccs4)cc23)c1
InChIKey: FCXXPMCZELBWRA-UHFFFAOYSA-N
Target: Dual specificity protein kinase TTK (SINGLE PROTEIN), Homo sapiens
UniProt: P33981
Assay: Inhibition of SUMO-tagged human TTK (1-275 residues) compound pre-incubated for 15 mins prior ATP addition by MBP-based assay
Measurement: IC50 = 33 nM (pChEMBL 7.480000019073486)
Descriptors: MW 412.5, ALogP 2.87, HBA 5, HBD 3, PSA 117.94, QED 0.47
Compound (SMILES): CN(Cc1ccccc1)C(=O)c1ccc2[nH]nc(-c3cccc(S(N)(=O)=O)c3)c2c1
InChIKey: YOZDTSCGPYJTAB-UHFFFAOYSA-N
Target: Dual specificity protein kinase TTK (SINGLE PROTEIN), Homo sapiens
UniProt: P33981
Assay: Inhibition of SUMO-tagged human TTK (1-275 residues) compound pre-incubated for 15 mins prior ATP addition by MBP-based assay
Measurement: IC50 = 250 nM (pChEMBL 6.599999904632568)
Descriptors: MW 420.49, ALogP 3.15, HBA 4, HBD 2, PSA 109.15, QED 0.52
Compound (SMILES): NS(=O)(=O)c1cccc(-c2n[nH]c3ccc(CNC(=O)c4ccccc4)cc23)c1
InChIKey: BEGOPEDOCUSBOT-UHFFFAOYSA-N
Target: Dual specificity protein kinase TTK (SINGLE PROTEIN), Homo sapiens
UniProt: P33981
Assay: Inhibition of SUMO-tagged human TTK (1-275 residues) compound pre-incubated for 15 mins prior ATP addition by MBP-based assay
Measurement: IC50 = 550 nM (pChEMBL 6.260000228881836)
Descriptors: MW 406.47, ALogP 2.81, HBA 4, HBD 3, PSA 117.94, QED 0.47
Compound (SMILES): Cc1ccccc1NC(=O)Cc1ccc2[nH]nc(-c3cccc(S(N)(=O)=O)c3)c2c1
InChIKey: RCNWDPVGAYEPQZ-UHFFFAOYSA-N
Target: Dual specificity protein kinase TTK (SINGLE PROTEIN), Homo sapiens
UniProt: P33981
Assay: Inhibition of SUMO-tagged human TTK (1-275 residues) compound pre-incubated for 15 mins prior ATP addition by MBP-based assay
Measurement: IC50 > 5000 nM (pChEMBL 5.301000118255615)
Descriptors: MW 420.49, ALogP 3.37, HBA 4, HBD 3, PSA 117.94, QED 0.46
Compound (SMILES): NS(=O)(=O)c1cccc(-c2n[nH]c3ccc(NC(=O)CCc4ccccc4)cc23)c1
InChIKey: PRWZIAIXIAALDH-UHFFFAOYSA-N
Target: Dual specificity protein kinase TTK (SINGLE PROTEIN), Homo sapiens
UniProt: P33981
Assay: Inhibition of SUMO-tagged human TTK (1-275 residues) compound pre-incubated for 15 mins prior ATP addition by MBP-based assay
Measurement: IC50 = 980 nM (pChEMBL 6.010000228881836)
Descriptors: MW 420.49, ALogP 3.45, HBA 4, HBD 3, PSA 117.94, QED 0.44
Compound (SMILES): NS(=O)(=O)c1cccc(-c2n[nH]c3ccc(NC(=O)Cc4ccccn4)cc23)c1
InChIKey: XQGCVSFSGPTBNG-UHFFFAOYSA-N
Target: Dual specificity protein kinase TTK (SINGLE PROTEIN), Homo sapiens
UniProt: P33981
Assay: Inhibition of SUMO-tagged human TTK (1-275 residues) compound pre-incubated for 15 mins prior ATP addition by MBP-based assay
Measurement: IC50 = 90 nM (pChEMBL 7.050000190734863)
Descriptors: MW 407.46, ALogP 2.45, HBA 5, HBD 3, PSA 130.83, QED 0.47
Compound (SMILES): NS(=O)(=O)c1cccc(-c2n[nH]c3ccc(NC(=O)Cc4ccncc4)cc23)c1
InChIKey: YIBVYYNEYWFFKM-UHFFFAOYSA-N
Target: Dual specificity protein kinase TTK (SINGLE PROTEIN), Homo sapiens
UniProt: P33981
Assay: Inhibition of SUMO-tagged human TTK (1-275 residues) compound pre-incubated for 15 mins prior ATP addition by MBP-based assay
Measurement: IC50 = 340 nM (pChEMBL 6.46999979019165)
Descriptors: MW 407.46, ALogP 2.45, HBA 5, HBD 3, PSA 130.83, QED 0.47
Compound (SMILES): Cc1ccccc1CNC(=O)c1ccc2[nH]nc(-c3cccc(S(N)(=O)=O)c3)c2c1
InChIKey: KFKYGPUSIBSXDP-UHFFFAOYSA-N
Target: Dual specificity protein kinase TTK (SINGLE PROTEIN), Homo sapiens
UniProt: P33981
Assay: Inhibition of SUMO-tagged human TTK (1-275 residues) compound pre-incubated for 15 mins prior ATP addition by MBP-based assay
Measurement: IC50 = 18 nM (pChEMBL 7.75)
Descriptors: MW 420.49, ALogP 3.12, HBA 4, HBD 3, PSA 117.94, QED 0.46
Compound (SMILES): Cc1ccccc1CC(=O)Nc1ccc2[nH]nc(-c3cccc(S(N)(=O)=O)c3)c2c1
InChIKey: BOWODCPNXHVMPZ-UHFFFAOYSA-N
Target: Dual specificity protein kinase TTK (SINGLE PROTEIN), Homo sapiens
UniProt: P33981
Assay: Inhibition of SUMO-tagged human TTK (1-275 residues) compound pre-incubated for 15 mins prior ATP addition by MBP-based assay
Measurement: IC50 = 25 nM (pChEMBL 7.599999904632568)
Descriptors: MW 420.49, ALogP 3.37, HBA 4, HBD 3, PSA 117.94, QED 0.46
Compound (SMILES): CCc1cccc(CC)c1CC(=O)Nc1ccc2[nH]nc(-c3cccc(S(N)(=O)=O)c3)c2c1
InChIKey: BDKVLDAMYXJQTH-UHFFFAOYSA-N
Target: Dual specificity protein kinase TTK (SINGLE PROTEIN), Homo sapiens
UniProt: P33981
Assay: Inhibition of SUMO-tagged human TTK (1-275 residues) compound pre-incubated for 15 mins prior ATP addition by MBP-based assay
Measurement: IC50 = 17 nM (pChEMBL 7.769999980926514)
Descriptors: MW 462.58, ALogP 4.18, HBA 4, HBD 3, PSA 117.94, QED 0.38
Compound (SMILES): CCc1cccc(CC)c1CNC(=O)c1ccc2[nH]nc(-c3cccc(S(N)(=O)=O)c3)c2c1
InChIKey: REHCYJGTZODHAE-UHFFFAOYSA-N
Target: Dual specificity protein kinase TTK (SINGLE PROTEIN), Homo sapiens
UniProt: P33981
Assay: Inhibition of SUMO-tagged human TTK (1-275 residues) compound pre-incubated for 15 mins prior ATP addition by MBP-based assay
Measurement: IC50 = 80 nM (pChEMBL 7.099999904632568)
Descriptors: MW 462.58, ALogP 3.93, HBA 4, HBD 3, PSA 117.94, QED 0.39
Compound (SMILES): NS(=O)(=O)c1cccc(-c2n[nH]c3ccc(C(=O)NC4(c5ccccc5)CCNCC4)cc23)c1
InChIKey: PFQVMIVCDHYEQG-UHFFFAOYSA-N
Target: Dual specificity protein kinase TTK (SINGLE PROTEIN), Homo sapiens
UniProt: P33981
Assay: Inhibition of SUMO-tagged human TTK (1-275 residues) compound pre-incubated for 15 mins prior ATP addition by MBP-based assay
Measurement: IC50 = 58 nM (pChEMBL 7.239999771118164)
Descriptors: MW 475.57, ALogP 2.89, HBA 5, HBD 4, PSA 129.97, QED 0.35
Compound (SMILES): NS(=O)(=O)c1cccc(-c2n[nH]c3ccc(NC(=O)C4(c5ccccc5)CC4)cc23)c1
InChIKey: NYBYFPMEAPNASU-UHFFFAOYSA-N
Target: Dual specificity protein kinase TTK (SINGLE PROTEIN), Homo sapiens
UniProt: P33981
Assay: Inhibition of SUMO-tagged human TTK (1-275 residues) compound pre-incubated for 15 mins prior ATP addition by MBP-based assay
Measurement: IC50 = 310 nM (pChEMBL 6.510000228881836)
Descriptors: MW 432.51, ALogP 3.55, HBA 4, HBD 3, PSA 117.94, QED 0.45
Compound (SMILES): NS(=O)(=O)c1cccc(-c2n[nH]c3ccc(C(=O)NC4(c5ccccc5)CC4)cc23)c1
InChIKey: CSIVCMIGQNGADL-UHFFFAOYSA-N
Target: Dual specificity protein kinase TTK (SINGLE PROTEIN), Homo sapiens
UniProt: P33981
Assay: Inhibition of SUMO-tagged human TTK (1-275 residues) compound pre-incubated for 15 mins prior ATP addition by MBP-based assay
Measurement: IC50 = 35 nM (pChEMBL 7.460000038146973)
Descriptors: MW 432.51, ALogP 3.3, HBA 4, HBD 3, PSA 117.94, QED 0.45
Compound (SMILES): CCC(C(=O)Nc1ccc2[nH]nc(-c3cccc(S(N)(=O)=O)c3)c2c1)c1ccccc1
InChIKey: UEAIBURMGICLSR-UHFFFAOYSA-N
Target: Dual specificity protein kinase TTK (SINGLE PROTEIN), Homo sapiens
UniProt: P33981
Assay: Inhibition of SUMO-tagged human TTK (1-275 residues) compound pre-incubated for 15 mins prior ATP addition by MBP-based assay
Measurement: IC50 = 24 nM (pChEMBL 7.619999885559082)
Descriptors: MW 434.52, ALogP 4.01, HBA 4, HBD 3, PSA 117.94, QED 0.42
Compound (SMILES): CC(C)C(C(=O)Nc1ccc2[nH]nc(-c3cccc(S(N)(=O)=O)c3)c2c1)c1ccccc1
InChIKey: AOKPZQUQEQBWEL-UHFFFAOYSA-N
Target: Dual specificity protein kinase TTK (SINGLE PROTEIN), Homo sapiens
UniProt: P33981
Assay: Inhibition of SUMO-tagged human TTK (1-275 residues) compound pre-incubated for 15 mins prior ATP addition by MBP-based assay
Measurement: IC50 = 46 nM (pChEMBL 7.340000152587891)
Descriptors: MW 448.55, ALogP 4.26, HBA 4, HBD 3, PSA 117.94, QED 0.41
Compound (SMILES): NS(=O)(=O)c1cccc(-c2n[nH]c3ccc(C(=O)NC(c4ccccc4)C4CC4)cc23)c1
InChIKey: QCLYLXUASIKTNV-UHFFFAOYSA-N
Target: Dual specificity protein kinase TTK (SINGLE PROTEIN), Homo sapiens
UniProt: P33981
Assay: Inhibition of SUMO-tagged human TTK (1-275 residues) compound pre-incubated for 15 mins prior ATP addition by MBP-based assay
Measurement: IC50 = 16 nM (pChEMBL 7.800000190734863)
Descriptors: MW 446.53, ALogP 3.76, HBA 4, HBD 3, PSA 117.94, QED 0.42
Compound (SMILES): NS(=O)(=O)c1cccc(-c2n[nH]c3ccc(C(=O)NC(c4ccsc4)C4CC4)cc23)c1
InChIKey: OBIYUEQIFUKELQ-UHFFFAOYSA-N
Target: Dual specificity protein kinase TTK (SINGLE PROTEIN), Homo sapiens
UniProt: P33981
Assay: Inhibition of SUMO-tagged human TTK (1-275 residues) compound pre-incubated for 15 mins prior ATP addition by MBP-based assay
Measurement: IC50 = 4 nM (pChEMBL 8.399999618530273)
Descriptors: MW 452.56, ALogP 3.82, HBA 5, HBD 3, PSA 117.94, QED 0.41
Compound (SMILES): NS(=O)(=O)c1cccc(-c2n[nH]c3ccc(NC(=O)C(c4ccccc4)C4CCCC4)cc23)c1
InChIKey: UHHXDRMIOILEHF-UHFFFAOYSA-N
Target: Dual specificity protein kinase TTK (SINGLE PROTEIN), Homo sapiens
UniProt: P33981
Assay: Inhibition of SUMO-tagged human TTK (1-275 residues) compound pre-incubated for 15 mins prior ATP addition by MBP-based assay
Measurement: IC50 = 53 nM (pChEMBL 7.28000020980835)
Descriptors: MW 474.59, ALogP 4.79, HBA 4, HBD 3, PSA 117.94, QED 0.37
Compound (SMILES): NS(=O)(=O)c1cccc(-c2n[nH]c3ccc(NC(=O)C(c4ccccc4)C4CCCCC4)cc23)c1
InChIKey: DUTQGDLWAFNVRG-UHFFFAOYSA-N
Target: Dual specificity protein kinase TTK (SINGLE PROTEIN), Homo sapiens
UniProt: P33981
Assay: Inhibition of SUMO-tagged human TTK (1-275 residues) compound pre-incubated for 15 mins prior ATP addition by MBP-based assay
Measurement: IC50 = 61 nM (pChEMBL 7.210000038146973)
Descriptors: MW 488.61, ALogP 5.18, HBA 4, HBD 3, PSA 117.94, QED 0.35
Compound (SMILES): NS(=O)(=O)c1cccc(-c2n[nH]c3ccc(C(=O)NC(c4ccccc4)C4CCCCC4)cc23)c1
InChIKey: AMBHMKBAQYCDDP-UHFFFAOYSA-N
Target: Dual specificity protein kinase TTK (SINGLE PROTEIN), Homo sapiens
UniProt: P33981
Assay: Inhibition of SUMO-tagged human TTK (1-275 residues) compound pre-incubated for 15 mins prior ATP addition by MBP-based assay
Measurement: IC50 = 47 nM (pChEMBL 7.329999923706055)
Descriptors: MW 488.61, ALogP 4.93, HBA 4, HBD 3, PSA 117.94, QED 0.36
Compound (SMILES): NCC(O)C(F)(F)F
InChIKey: RISHBQWFBUTROQ-UHFFFAOYSA-N
Target: Cholesteryl ester transfer protein (SINGLE PROTEIN), Homo sapiens
UniProt: P11597
Assay: Inhibition of CETP-mediated [3H]-CE from HDL to LDL in human plasma
Measurement: IC50 = 600 nM (pChEMBL 6.21999979019165)
Descriptors: MW 129.08, ALogP -0.13, HBA 2, HBD 2, PSA 46.25, QED 0.52
Compound (SMILES): C[C@@]1(N)C[C@H]1c1ccccc1.Cl
InChIKey: ATFVTRDQCBBLIQ-BAUSSPIASA-N
Target: Amine oxidase [flavin-containing] A (SINGLE PROTEIN), Homo sapiens
UniProt: P21397
Assay: Inhibition of human recombinant MAOA expressed in Pichia pastoris incubated for 20 mins by bioluminescent-coupled assay
Measurement: IC50 = 170 nM (pChEMBL 6.769999980926514)
Descriptors: MW 147.22, ALogP 1.89, HBA 1, HBD 1, PSA 26.02, QED 0.64
Compound (SMILES): CC[C@@]1(N)C[C@@H]1c1ccccc1.Cl
InChIKey: OFKMTCIYSCVDFY-NDXYWBNTSA-N
Target: Amine oxidase [flavin-containing] A (SINGLE PROTEIN), Homo sapiens
UniProt: P21397
Assay: Inhibition of human recombinant MAOA expressed in Pichia pastoris incubated for 20 mins by bioluminescent-coupled assay
Measurement: IC50 = 1920 nM (pChEMBL 5.71999979019165)
Descriptors: MW 161.25, ALogP 2.28, HBA 1, HBD 1, PSA 26.02, QED 0.71
Compound (SMILES): CCC[C@@]1(N)C[C@H]1c1ccccc1.Cl
InChIKey: BDQSHNYRTCMXEA-ZVWHLABXSA-N
Target: Amine oxidase [flavin-containing] A (SINGLE PROTEIN), Homo sapiens
UniProt: P21397
Assay: Inhibition of human recombinant MAOA expressed in Pichia pastoris incubated for 20 mins by bioluminescent-coupled assay
Measurement: IC50 = 527 nM (pChEMBL 6.28000020980835)
Descriptors: MW 175.27, ALogP 2.67, HBA 1, HBD 1, PSA 26.02, QED 0.75
Compound (SMILES): Cl.N[C@@]1(c2ccccc2)C[C@H]1c1ccccc1
InChIKey: YZRAPGMDGOUWPD-LDXVYITESA-N
Target: Amine oxidase [flavin-containing] A (SINGLE PROTEIN), Homo sapiens
UniProt: P21397
Assay: Inhibition of human recombinant MAOA expressed in Pichia pastoris incubated for 20 mins by bioluminescent-coupled assay
Measurement: IC50 = 82.8 nM (pChEMBL 7.079999923706055)
Descriptors: MW 209.29, ALogP 3.03, HBA 1, HBD 1, PSA 26.02, QED 0.81
Compound (SMILES): Cl.N[C@]1(Cc2ccccc2)C[C@@H]1c1ccccc1
InChIKey: QCKAOUJBZVYJLI-QNBGGDODSA-N
Target: Amine oxidase [flavin-containing] A (SINGLE PROTEIN), Homo sapiens
UniProt: P21397
Assay: Inhibition of human recombinant MAOA expressed in Pichia pastoris incubated for 20 mins by bioluminescent-coupled assay
Measurement: IC50 = 3510 nM (pChEMBL 5.460000038146973)
Descriptors: MW 223.32, ALogP 3.11, HBA 1, HBD 1, PSA 26.02, QED 0.85
Compound (SMILES): Cl.N[C@]1(Cc2ccc3ccccc3c2)C[C@H]1c1ccccc1
InChIKey: LDNGXBBJPQUNTB-CMXBXVFLSA-N
Target: Amine oxidase [flavin-containing] A (SINGLE PROTEIN), Homo sapiens
UniProt: P21397
Assay: Inhibition of human recombinant MAOA expressed in Pichia pastoris incubated for 20 mins by bioluminescent-coupled assay
Measurement: IC50 = 1300 nM (pChEMBL 5.889999866485596)
Descriptors: MW 273.38, ALogP 4.27, HBA 1, HBD 1, PSA 26.02, QED 0.76
Compound (SMILES): Cl.N[C@]1(CCc2ccccc2)C[C@H]1c1ccccc1
InChIKey: MHYKMASOPQSMPY-MCJVGQIASA-N
Target: Amine oxidase [flavin-containing] A (SINGLE PROTEIN), Homo sapiens
UniProt: P21397
Assay: Inhibition of human recombinant MAOA expressed in Pichia pastoris incubated for 20 mins by bioluminescent-coupled assay
Measurement: IC50 = 21.4 nM (pChEMBL 7.670000076293945)
Descriptors: MW 237.35, ALogP 3.5, HBA 1, HBD 1, PSA 26.02, QED 0.86
Compound (SMILES): C[C@]1(N)C[C@@H]1c1ccccc1.Cl
InChIKey: ATFVTRDQCBBLIQ-UXQCFNEQSA-N
Target: Amine oxidase [flavin-containing] A (SINGLE PROTEIN), Homo sapiens
UniProt: P21397
Assay: Inhibition of human recombinant MAOA expressed in Pichia pastoris incubated for 20 mins by bioluminescent-coupled assay
Measurement: IC50 = 1280 nM (pChEMBL 5.889999866485596)
Descriptors: MW 147.22, ALogP 1.89, HBA 1, HBD 1, PSA 26.02, QED 0.64
Compound (SMILES): CC[C@@]1(N)C[C@H]1c1ccccc1.Cl
InChIKey: OFKMTCIYSCVDFY-VZXYPILPSA-N
Target: Amine oxidase [flavin-containing] A (SINGLE PROTEIN), Homo sapiens
UniProt: P21397
Assay: Inhibition of human recombinant MAOA expressed in Pichia pastoris incubated for 20 mins by bioluminescent-coupled assay
Measurement: IC50 = 6800 nM (pChEMBL 5.170000076293945)
Descriptors: MW 161.25, ALogP 2.28, HBA 1, HBD 1, PSA 26.02, QED 0.71
Compound (SMILES): Cl.N[C@]1(c2ccccc2)C[C@H]1c1ccccc1
InChIKey: YZRAPGMDGOUWPD-YYLIZZNMSA-N
Target: Lysine-specific histone demethylase 1A (SINGLE PROTEIN), Homo sapiens
UniProt: O60341
Assay: Inhibition of human recombinant KDM1A/CoREST expressed in Escherichia coli assessed as reduction in H2O2 release using synthetic mono-methylated H3-K4 peptide (21 amino acids) substrate by horseradish peroxidase coupled enzyme assay
Measurement: IC50 = 584 nM (pChEMBL 6.230000019073486)
Descriptors: MW 209.29, ALogP 3.03, HBA 1, HBD 1, PSA 26.02, QED 0.81
Compound (SMILES): Cl.N[C@]1(Cc2ccccc2)C[C@H]1c1ccccc1
InChIKey: QCKAOUJBZVYJLI-IDVLALEDSA-N
Target: Lysine-specific histone demethylase 1A (SINGLE PROTEIN), Homo sapiens
UniProt: O60341
Assay: Inhibition of human recombinant KDM1A/CoREST expressed in Escherichia coli assessed as reduction in H2O2 release using synthetic mono-methylated H3-K4 peptide (21 amino acids) substrate by horseradish peroxidase coupled enzyme assay
Measurement: IC50 = 335 nM (pChEMBL 6.46999979019165)
Descriptors: MW 223.32, ALogP 3.11, HBA 1, HBD 1, PSA 26.02, QED 0.85
Compound (SMILES): C[C@]1(N)C[C@@H]1c1ccccc1.O=C(O)C(F)(F)F
InChIKey: RSNSLXQASROALT-UXQCFNEQSA-N
Target: Lysine-specific histone demethylase 1A (SINGLE PROTEIN), Homo sapiens
UniProt: O60341
Assay: Inhibition of human recombinant KDM1A/CoREST expressed in Escherichia coli assessed as reduction in H2O2 release using synthetic mono-methylated H3-K4 peptide (21 amino acids) substrate by horseradish peroxidase coupled enzyme assay
Measurement: IC50 = 3260 nM (pChEMBL 5.489999771118164)
Descriptors: MW 147.22, ALogP 1.89, HBA 1, HBD 1, PSA 26.02, QED 0.64
Compound (SMILES): CC[C@]1(N)C[C@@H]1c1ccccc1.Cl
InChIKey: OFKMTCIYSCVDFY-DHXVBOOMSA-N
Target: Lysine-specific histone demethylase 1A (SINGLE PROTEIN), Homo sapiens
UniProt: O60341
Assay: Inhibition of human recombinant KDM1A/CoREST expressed in Escherichia coli assessed as reduction in H2O2 release using synthetic mono-methylated H3-K4 peptide (21 amino acids) substrate by horseradish peroxidase coupled enzyme assay
Measurement: IC50 = 608 nM (pChEMBL 6.21999979019165)
Descriptors: MW 161.25, ALogP 2.28, HBA 1, HBD 1, PSA 26.02, QED 0.71
Compound (SMILES): Cl.N[C@@]1(c2ccccc2)C[C@@H]1c1ccccc1
InChIKey: YZRAPGMDGOUWPD-CTHHTMFSSA-N
Target: Lysine-specific histone demethylase 1A (SINGLE PROTEIN), Homo sapiens
UniProt: O60341
Assay: Inhibition of human recombinant KDM1A/CoREST expressed in Escherichia coli assessed as reduction in H2O2 release using synthetic mono-methylated H3-K4 peptide (21 amino acids) substrate by horseradish peroxidase coupled enzyme assay
Measurement: IC50 = 131 nM (pChEMBL 6.880000114440918)
Descriptors: MW 209.29, ALogP 3.03, HBA 1, HBD 1, PSA 26.02, QED 0.81
Compound (SMILES): Cl.N[C@@]1(Cc2ccccc2)C[C@@H]1c1ccccc1
InChIKey: QCKAOUJBZVYJLI-RCPFAERMSA-N
Target: Amine oxidase [flavin-containing] A (SINGLE PROTEIN), Homo sapiens
UniProt: P21397
Assay: Inhibition of human recombinant MAOA expressed in Pichia pastoris incubated for 20 mins by bioluminescent-coupled assay
Measurement: IC50 = 8310 nM (pChEMBL 5.079999923706055)
Descriptors: MW 223.32, ALogP 3.11, HBA 1, HBD 1, PSA 26.02, QED 0.85
Compound (SMILES): CCOC(=O)[C@]1(N)C[C@H]1c1ccccc1
InChIKey: DXQQKLKCMSJJEX-JQWIXIFHSA-N
Target: Lysine-specific histone demethylase 1A (SINGLE PROTEIN), Homo sapiens
UniProt: O60341
Assay: Inhibition of human recombinant KDM1A/CoREST expressed in Escherichia coli assessed as reduction in H2O2 release using synthetic mono-methylated H3-K4 peptide (21 amino acids) substrate by horseradish peroxidase coupled enzyme assay
Measurement: IC50 > 100000 nM (pChEMBL 4)
Descriptors: MW 205.26, ALogP 1.43, HBA 3, HBD 1, PSA 52.32, QED 0.76
Compound (SMILES): N[C@@]1(C(=O)O)C[C@H]1c1ccccc1
InChIKey: MRUPFDZGTJQLCH-WPRPVWTQSA-N
Target: Lysine-specific histone demethylase 1A (SINGLE PROTEIN), Homo sapiens
UniProt: O60341
Assay: Inhibition of human recombinant KDM1A/CoREST expressed in Escherichia coli assessed as reduction in H2O2 release using synthetic mono-methylated H3-K4 peptide (21 amino acids) substrate by horseradish peroxidase coupled enzyme assay
Measurement: IC50 > 100000 nM (pChEMBL 4)
Descriptors: MW 177.2, ALogP 0.96, HBA 2, HBD 2, PSA 63.32, QED 0.71
Compound (SMILES): N[C@@]1(CO)C[C@H]1c1ccccc1
InChIKey: VLPZNCDSFRIFLA-VHSXEESVSA-N
Target: Lysine-specific histone demethylase 1A (SINGLE PROTEIN), Homo sapiens
UniProt: O60341
Assay: Inhibition of human recombinant KDM1A/CoREST expressed in Escherichia coli assessed as reduction in H2O2 release using synthetic mono-methylated H3-K4 peptide (21 amino acids) substrate by horseradish peroxidase coupled enzyme assay
Measurement: IC50 = 9132 nM (pChEMBL 5.039999961853027)
Descriptors: MW 163.22, ALogP 0.86, HBA 2, HBD 2, PSA 46.25, QED 0.68
Compound (SMILES): COC(C(=O)Nc1ccc2[nH]nc(-c3cccc(S(N)(=O)=O)c3)c2c1)c1ccccc1
InChIKey: WBKWIGZIJLEGEF-UHFFFAOYSA-N
Target: Dual specificity protein kinase TTK (SINGLE PROTEIN), Homo sapiens
UniProt: P33981
Assay: Inhibition of SUMO-tagged human TTK (1-275 residues) compound pre-incubated for 15 mins prior ATP addition by MBP-based assay
Measurement: IC50 = 26 nM (pChEMBL 7.579999923706055)
Descriptors: MW 436.49, ALogP 3.2, HBA 5, HBD 3, PSA 127.17, QED 0.43
Compound (SMILES): CO[C@H](C(=O)Nc1ccc2[nH]nc(-c3cccc(S(N)(=O)=O)c3)c2c1)c1ccccc1
InChIKey: WBKWIGZIJLEGEF-NRFANRHFSA-N
Target: Dual specificity protein kinase TTK (SINGLE PROTEIN), Homo sapiens
UniProt: P33981
Assay: Inhibition of SUMO-tagged human TTK (1-275 residues) compound pre-incubated for 15 mins prior ATP addition by MBP-based assay
Measurement: IC50 = 26 nM (pChEMBL 7.579999923706055)
Descriptors: MW 436.49, ALogP 3.2, HBA 5, HBD 3, PSA 127.17, QED 0.43
Compound (SMILES): CO[C@@H](C(=O)Nc1ccc2[nH]nc(-c3cccc(S(N)(=O)=O)c3)c2c1)c1ccccc1
InChIKey: WBKWIGZIJLEGEF-OAQYLSRUSA-N
Target: Dual specificity protein kinase TTK (SINGLE PROTEIN), Homo sapiens
UniProt: P33981
Assay: Inhibition of SUMO-tagged human TTK (1-275 residues) compound pre-incubated for 15 mins prior ATP addition by MBP-based assay
Measurement: IC50 = 30 nM (pChEMBL 7.519999980926514)
Descriptors: MW 436.49, ALogP 3.2, HBA 5, HBD 3, PSA 127.17, QED 0.43
Compound (SMILES): CCOC(C(=O)Nc1ccc2[nH]nc(-c3cccc(S(N)(=O)=O)c3)c2c1)c1ccccc1
InChIKey: PFTCMOKYWFJFQE-UHFFFAOYSA-N
Target: Dual specificity protein kinase TTK (SINGLE PROTEIN), Homo sapiens
UniProt: P33981
Assay: Inhibition of SUMO-tagged human TTK (1-275 residues) compound pre-incubated for 15 mins prior ATP addition by MBP-based assay
Measurement: IC50 = 14 nM (pChEMBL 7.849999904632568)
Descriptors: MW 450.52, ALogP 3.59, HBA 5, HBD 3, PSA 127.17, QED 0.4
Compound (SMILES): CN(C)C(C(=O)Nc1ccc2[nH]nc(-c3cccc(S(N)(=O)=O)c3)c2c1)c1ccccc1
InChIKey: JEZHBYCMBKMXCK-UHFFFAOYSA-N
Target: Dual specificity protein kinase TTK (SINGLE PROTEIN), Homo sapiens
UniProt: P33981
Assay: Inhibition of SUMO-tagged human TTK (1-275 residues) compound pre-incubated for 15 mins prior ATP addition by MBP-based assay
Measurement: IC50 = 12 nM (pChEMBL 7.920000076293945)
Descriptors: MW 449.54, ALogP 3.12, HBA 5, HBD 3, PSA 121.18, QED 0.42
Compound (SMILES): CN(C)[C@H](C(=O)Nc1ccc2[nH]nc(-c3cccc(S(N)(=O)=O)c3)c2c1)c1ccccc1
InChIKey: JEZHBYCMBKMXCK-QFIPXVFZSA-N
Target: Dual specificity protein kinase TTK (SINGLE PROTEIN), Homo sapiens
UniProt: P33981
Assay: Inhibition of SUMO-tagged human TTK (1-275 residues) compound pre-incubated for 15 mins prior ATP addition by MBP-based assay
Measurement: IC50 = 11 nM (pChEMBL 7.960000038146973)
Descriptors: MW 449.54, ALogP 3.12, HBA 5, HBD 3, PSA 121.18, QED 0.42
Compound (SMILES): CN(C)[C@@H](C(=O)Nc1ccc2[nH]nc(-c3cccc(S(N)(=O)=O)c3)c2c1)c1ccccc1
InChIKey: JEZHBYCMBKMXCK-JOCHJYFZSA-N
Target: Dual specificity protein kinase TTK (SINGLE PROTEIN), Homo sapiens
UniProt: P33981
Assay: Inhibition of SUMO-tagged human TTK (1-275 residues) compound pre-incubated for 15 mins prior ATP addition by MBP-based assay
Measurement: IC50 = 15 nM (pChEMBL 7.820000171661377)
Descriptors: MW 449.54, ALogP 3.12, HBA 5, HBD 3, PSA 121.18, QED 0.42
Compound (SMILES): NS(=O)(=O)c1cccc(-c2n[nH]c3ccc(NC(=O)C(c4ccccc4)N4CCCC4)cc23)c1
InChIKey: RNXVURJGQRKWTN-UHFFFAOYSA-N
Target: Dual specificity protein kinase TTK (SINGLE PROTEIN), Homo sapiens
UniProt: P33981
Assay: Inhibition of SUMO-tagged human TTK (1-275 residues) compound pre-incubated for 15 mins prior ATP addition by MBP-based assay
Measurement: IC50 = 8.9 nM (pChEMBL 8.050000190734863)
Descriptors: MW 475.57, ALogP 3.65, HBA 5, HBD 3, PSA 121.18, QED 0.39
Compound (SMILES): NS(=O)(=O)c1cccc(-c2n[nH]c3ccc(NC(=O)C(c4ccccc4)N4CCCCC4)cc23)c1
InChIKey: OYNOTANVUQGHGT-UHFFFAOYSA-N
Target: Dual specificity protein kinase TTK (SINGLE PROTEIN), Homo sapiens
UniProt: P33981
Assay: Inhibition of SUMO-tagged human TTK (1-275 residues) compound pre-incubated for 15 mins prior ATP addition by MBP-based assay
Measurement: IC50 = 10 nM (pChEMBL 8)
Descriptors: MW 489.6, ALogP 4.04, HBA 5, HBD 3, PSA 121.18, QED 0.38
Compound (SMILES): CCc1ccccc1C(C(=O)Nc1ccc2[nH]nc(-c3cccc(S(N)(=O)=O)c3)c2c1)N(C)C
InChIKey: JAHXQCZCZURPTI-UHFFFAOYSA-N
Target: Dual specificity protein kinase TTK (SINGLE PROTEIN), Homo sapiens
UniProt: P33981
Assay: Inhibition of SUMO-tagged human TTK (1-275 residues) compound pre-incubated for 15 mins prior ATP addition by MBP-based assay
Measurement: IC50 = 3.6 nM (pChEMBL 8.4399995803833)
Descriptors: MW 477.59, ALogP 3.68, HBA 5, HBD 3, PSA 121.18, QED 0.37
Compound (SMILES): NS(=O)(=O)c1cccc(-c2n[nH]c3ccc(NC(=O)C(c4ccsc4)N4CCCC4)cc23)c1
InChIKey: JBZRAEUHDPMQSF-UHFFFAOYSA-N
Target: Dual specificity protein kinase TTK (SINGLE PROTEIN), Homo sapiens
UniProt: P33981
Assay: Inhibition of SUMO-tagged human TTK (1-275 residues) compound pre-incubated for 15 mins prior ATP addition by MBP-based assay
Measurement: IC50 = 2.9 nM (pChEMBL 8.539999961853027)
Descriptors: MW 481.6, ALogP 3.71, HBA 6, HBD 3, PSA 121.18, QED 0.39
Compound (SMILES): COc1cc(N2CCC(O)CC2)ccc1Nc1nc(Nc2ccccc2S(=O)(=O)C(C)C)c2cc[nH]c2n1
InChIKey: WRLHYUXLWUWBTK-UHFFFAOYSA-N
Target: Dual specificity protein kinase TTK (SINGLE PROTEIN), Homo sapiens
UniProt: P33981
Assay: Inhibition of GST-fused full length human TTK compound pre-incubated for 15 mins prior ATP addition by MBP-based assay
Measurement: IC50 = 370 nM (pChEMBL 6.429999828338623)
Descriptors: MW 536.66, ALogP 4.6, HBA 9, HBD 4, PSA 132.47, QED 0.26
Compound (SMILES): N#Cc1ccc2c(/C=C/c3ccncc3)n[nH]c2c1
InChIKey: AOZVPLHGFARPCF-DUXPYHPUSA-N
Target: Dual specificity protein kinase TTK (SINGLE PROTEIN), Homo sapiens
UniProt: P33981
Assay: Inhibition of GST-fused full length human TTK compound pre-incubated for 15 mins prior ATP addition by MBP-based assay
Measurement: IC50 = 5000 nM (pChEMBL 5.300000190734863)
Descriptors: MW 246.27, ALogP 3, HBA 3, HBD 1, PSA 65.36, QED 0.76
Compound (SMILES): O=Cc1ccc2c(-c3cccnc3)n[nH]c2c1
InChIKey: PZZCCARVHSMPGQ-UHFFFAOYSA-N
Target: Dual specificity protein kinase TTK (SINGLE PROTEIN), Homo sapiens
UniProt: P33981
Assay: Inhibition of GST-fused full length human TTK compound pre-incubated for 15 mins prior ATP addition by MBP-based assay
Measurement: IC50 = 12000 nM (pChEMBL 4.920000076293945)
Descriptors: MW 223.24, ALogP 2.44, HBA 3, HBD 1, PSA 58.64, QED 0.68
Compound (SMILES): O=C(NC[C@@H]1OC(=O)N2c3ccc(N4CCOCC4=O)cc3OC[C@@H]12)c1ccc(Cl)s1
InChIKey: FAHBXTXHOUMNTM-ZFWWWQNUSA-N
Target: Coagulation factor X (SINGLE PROTEIN), Homo sapiens
UniProt: P00742
Assay: Inhibition of human factor 10a using N-Z-D-Arg-Gly-Arg-pNA, S-2765 chromogenic substrate
Measurement: IC50 = 3.41 nM (pChEMBL 8.470000267028809)
Descriptors: MW 463.9, ALogP 2.28, HBA 7, HBD 1, PSA 97.41, QED 0.75
Compound (SMILES): O=C(NC[C@@H]1OC(=O)N2c3ccc(N4CCOCC4=O)cc3OC[C@H]12)c1ccc(Cl)s1
InChIKey: FAHBXTXHOUMNTM-HIFRSBDPSA-N
Target: Coagulation factor X (SINGLE PROTEIN), Homo sapiens
UniProt: P00742
Assay: Inhibition of human factor 10a using N-Z-D-Arg-Gly-Arg-pNA, S-2765 chromogenic substrate
Measurement: IC50 = 57.81 nM (pChEMBL 7.239999771118164)
Descriptors: MW 463.9, ALogP 2.28, HBA 7, HBD 1, PSA 97.41, QED 0.75
Compound (SMILES): O=C(NC[C@@H]1OC(=O)N2c3ccc(N4CCCCC4=O)cc3OC[C@@H]12)c1ccc(Cl)s1
InChIKey: JCTRHKZXDDIGIB-HOCLYGCPSA-N
Target: Coagulation factor X (SINGLE PROTEIN), Homo sapiens
UniProt: P00742
Assay: Inhibition of human factor 10a using N-Z-D-Arg-Gly-Arg-pNA, S-2765 chromogenic substrate
Measurement: IC50 = 20.22 nM (pChEMBL 7.690000057220459)
Descriptors: MW 461.93, ALogP 3.43, HBA 6, HBD 1, PSA 88.18, QED 0.75
Compound (SMILES): CC(=O)N(C)c1ccc2c(c1)OC[C@H]1[C@H](CNC(=O)c3ccc(Cl)s3)OC(=O)N21
InChIKey: ALTWSAAWZMFXIC-ZFWWWQNUSA-N
Target: Coagulation factor X (SINGLE PROTEIN), Homo sapiens
UniProt: P00742
Assay: Inhibition of human factor 10a using N-Z-D-Arg-Gly-Arg-pNA, S-2765 chromogenic substrate
Measurement: IC50 = 87.17 nM (pChEMBL 7.059999942779541)
Descriptors: MW 435.89, ALogP 2.9, HBA 6, HBD 1, PSA 88.18, QED 0.8
Compound (SMILES): O=C(NC[C@@H]1OC(=O)N2c3ccc(N4CCOC4=O)cc3OC[C@@H]12)c1ccc(Cl)s1
InChIKey: JEXWBDGYXWHFTJ-JSGCOSHPSA-N
Target: Coagulation factor X (SINGLE PROTEIN), Homo sapiens
UniProt: P00742
Assay: Inhibition of human factor 10a using N-Z-D-Arg-Gly-Arg-pNA, S-2765 chromogenic substrate
Measurement: IC50 = 730 nM (pChEMBL 6.139999866485596)
Descriptors: MW 449.87, ALogP 2.87, HBA 7, HBD 1, PSA 97.41, QED 0.77
Compound (SMILES): O=C(NC[C@@H]1OC(=O)N2c3ccc(N4CCC5(CC4=O)OCCO5)cc3OC[C@@H]12)c1ccc(Cl)s1
InChIKey: IGAZWRWNXXICNC-RDJZCZTQSA-N
Target: Coagulation factor X (SINGLE PROTEIN), Homo sapiens
UniProt: P00742
Assay: Inhibition of human factor 10a using N-Z-D-Arg-Gly-Arg-pNA, S-2765 chromogenic substrate
Measurement: IC50 = 2510 nM (pChEMBL 5.599999904632568)
Descriptors: MW 519.96, ALogP 2.79, HBA 8, HBD 1, PSA 106.64, QED 0.66
Compound (SMILES): CO[C@@H]1CCN(c2ccc3c(c2)OC[C@H]2[C@H](CNC(=O)c4ccc(Cl)s4)OC(=O)N32)C(=O)C1
InChIKey: GADLEELSQBIXCX-KMFMINBZSA-N
Target: Coagulation factor X (SINGLE PROTEIN), Homo sapiens
UniProt: P00742
Assay: Inhibition of human factor 10a using N-Z-D-Arg-Gly-Arg-pNA, S-2765 chromogenic substrate
Measurement: IC50 = 590 nM (pChEMBL 6.230000019073486)
Descriptors: MW 491.95, ALogP 3.06, HBA 7, HBD 1, PSA 97.41, QED 0.69
Compound (SMILES): CO[C@H]1CCN(c2ccc3c(c2)OC[C@H]2[C@H](CNC(=O)c4ccc(Cl)s4)OC(=O)N32)C(=O)C1
InChIKey: GADLEELSQBIXCX-QRTARXTBSA-N
Target: Coagulation factor X (SINGLE PROTEIN), Homo sapiens
UniProt: P00742
Assay: Inhibition of human factor 10a using N-Z-D-Arg-Gly-Arg-pNA, S-2765 chromogenic substrate
Measurement: IC50 = 1860 nM (pChEMBL 5.730000019073486)
Descriptors: MW 491.95, ALogP 3.06, HBA 7, HBD 1, PSA 97.41, QED 0.69
Compound (SMILES): O=C(NC[C@@H]1OC(=O)N2c3ccc(N4CC[C@@H](O)CC4=O)cc3OC[C@@H]12)c1ccc(Cl)s1
InChIKey: KYAUJNJHFXCSOK-INWMFGNUSA-N
Target: Coagulation factor X (SINGLE PROTEIN), Homo sapiens
UniProt: P00742
Assay: Inhibition of human factor 10a using N-Z-D-Arg-Gly-Arg-pNA, S-2765 chromogenic substrate
Measurement: IC50 = 130 nM (pChEMBL 6.889999866485596)
Descriptors: MW 477.93, ALogP 2.41, HBA 7, HBD 2, PSA 108.41, QED 0.7
Compound (SMILES): O=C(NC[C@@H]1OC(=O)N2c3ccc(N4CC[C@H](F)CC4=O)cc3OC[C@@H]12)c1ccc(Cl)s1
InChIKey: IWGCYNRVBGLVJI-PJODQICGSA-N
Target: Coagulation factor X (SINGLE PROTEIN), Homo sapiens
UniProt: P00742
Assay: Inhibition of human factor 10a using N-Z-D-Arg-Gly-Arg-pNA, S-2765 chromogenic substrate
Measurement: IC50 = 46.64 nM (pChEMBL 7.329999923706055)
Descriptors: MW 479.92, ALogP 3.38, HBA 6, HBD 1, PSA 88.18, QED 0.73
Compound (SMILES): O=C(NC[C@@H]1OC(=O)N2c3ccc(N4CC[C@H](O)CC4=O)cc3OC[C@@H]12)c1ccc(Cl)s1
InChIKey: KYAUJNJHFXCSOK-NOLJZWGESA-N
Target: Coagulation factor X (SINGLE PROTEIN), Homo sapiens
UniProt: P00742
Assay: Inhibition of human factor 10a using N-Z-D-Arg-Gly-Arg-pNA, S-2765 chromogenic substrate
Measurement: IC50 = 1220 nM (pChEMBL 5.909999847412109)
Descriptors: MW 477.93, ALogP 2.41, HBA 7, HBD 2, PSA 108.41, QED 0.7
Compound (SMILES): O=C(NC[C@@H]1OC(=O)N2c3ccc(N4CC[C@@H](F)CC4=O)cc3OC[C@@H]12)c1ccc(Cl)s1
InChIKey: IWGCYNRVBGLVJI-WPGHFRTFSA-N
Target: Coagulation factor X (SINGLE PROTEIN), Homo sapiens
UniProt: P00742
Assay: Inhibition of human factor 10a using N-Z-D-Arg-Gly-Arg-pNA, S-2765 chromogenic substrate
Measurement: IC50 = 40.56 nM (pChEMBL 7.389999866485596)
Descriptors: MW 479.92, ALogP 3.38, HBA 6, HBD 1, PSA 88.18, QED 0.73
Compound (SMILES): O=C(NC[C@@H]1OC(=O)N2c3ccc(N4CCNCC4=O)cc3OC[C@@H]12)c1ccc(Cl)s1
InChIKey: LMNWYYWMBVOLGT-ZFWWWQNUSA-N
Target: Coagulation factor X (SINGLE PROTEIN), Homo sapiens
UniProt: P00742
Assay: Inhibition of human factor 10a using N-Z-D-Arg-Gly-Arg-pNA, S-2765 chromogenic substrate
Measurement: IC50 = 190 nM (pChEMBL 6.71999979019165)
Descriptors: MW 462.92, ALogP 1.85, HBA 7, HBD 2, PSA 100.21, QED 0.72
Compound (SMILES): CN1CCN(c2ccc3c(c2)OC[C@H]2[C@H](CNC(=O)c4ccc(Cl)s4)OC(=O)N32)C(=O)C1
InChIKey: HIKXQLHJXVMQJK-HOCLYGCPSA-N
Target: Coagulation factor X (SINGLE PROTEIN), Homo sapiens
UniProt: P00742
Assay: Inhibition of human factor 10a using N-Z-D-Arg-Gly-Arg-pNA, S-2765 chromogenic substrate
Measurement: IC50 = 2210 nM (pChEMBL 5.659999847412109)
Descriptors: MW 476.94, ALogP 2.2, HBA 7, HBD 1, PSA 91.42, QED 0.73
Compound (SMILES): CCN1CCN(c2ccc3c(c2)OC[C@H]2[C@H](CNC(=O)c4ccc(Cl)s4)OC(=O)N32)C(=O)C1
InChIKey: QFDANBTUPWREQP-RDJZCZTQSA-N
Target: Coagulation factor X (SINGLE PROTEIN), Homo sapiens
UniProt: P00742
Assay: Inhibition of human factor 10a using N-Z-D-Arg-Gly-Arg-pNA, S-2765 chromogenic substrate
Measurement: IC50 = 15770 nM (pChEMBL 4.800000190734863)
Descriptors: MW 490.97, ALogP 2.59, HBA 7, HBD 1, PSA 91.42, QED 0.69
Compound (SMILES): O=C(NC[C@@H]1OC(=O)N2c3ccc(N4CCN(Cc5ccccc5)CC4=O)cc3OC[C@@H]12)c1ccc(Cl)s1
InChIKey: CBBDXUDYTJYLFU-UNMCSNQZSA-N
Target: Coagulation factor X (SINGLE PROTEIN), Homo sapiens
UniProt: P00742
Assay: Inhibition of human factor 10a using N-Z-D-Arg-Gly-Arg-pNA, S-2765 chromogenic substrate
Measurement: IC50 = 11360 nM (pChEMBL 4.949999809265137)
Descriptors: MW 553.04, ALogP 3.77, HBA 7, HBD 1, PSA 91.42, QED 0.5
Compound (SMILES): CC(=O)N1CCN(c2ccc3c(c2)OC[C@H]2[C@H](CNC(=O)c4ccc(Cl)s4)OC(=O)N32)C(=O)C1
InChIKey: OZGJNRFHTCWXLN-RDJZCZTQSA-N
Target: Coagulation factor X (SINGLE PROTEIN), Homo sapiens
UniProt: P00742
Assay: Inhibition of human factor 10a using N-Z-D-Arg-Gly-Arg-pNA, S-2765 chromogenic substrate
Measurement: IC50 = 74.77 nM (pChEMBL 7.130000114440918)
Descriptors: MW 504.95, ALogP 2.11, HBA 7, HBD 1, PSA 108.49, QED 0.68
Compound (SMILES): CS(=O)(=O)N1CCN(c2ccc3c(c2)OC[C@H]2[C@H](CNC(=O)c4ccc(Cl)s4)OC(=O)N32)C(=O)C1
InChIKey: DRFNOWSTNPXJTI-HOCLYGCPSA-N
Target: Coagulation factor X (SINGLE PROTEIN), Homo sapiens
UniProt: P00742
Assay: Inhibition of human factor 10a using N-Z-D-Arg-Gly-Arg-pNA, S-2765 chromogenic substrate
Measurement: IC50 = 4180 nM (pChEMBL 5.380000114440918)
Descriptors: MW 541.01, ALogP 1.53, HBA 8, HBD 1, PSA 125.56, QED 0.61
Compound (SMILES): O=C(NC[C@@H]1OC(=O)N2c3ccc(N4CCN(S(=O)(=O)c5ccccc5)CC4=O)cc3OC[C@@H]12)c1ccc(Cl)s1
InChIKey: HVSIIEPTCDGHJD-FPOVZHCZSA-N
Target: Coagulation factor X (SINGLE PROTEIN), Homo sapiens
UniProt: P00742
Assay: Inhibition of human factor 10a using N-Z-D-Arg-Gly-Arg-pNA, S-2765 chromogenic substrate
Measurement: IC50 = 5530 nM (pChEMBL 5.260000228881836)
Descriptors: MW 603.08, ALogP 2.96, HBA 8, HBD 1, PSA 125.56, QED 0.46
Compound (SMILES): CS(=O)(=O)c1ccccc1-c1ccc2c(c1)OC[C@H]1[C@H](CNC(=O)c3ccc(Cl)s3)OC(=O)N21
InChIKey: AKJHORNYPBOREP-WMZOPIPTSA-N
Target: Coagulation factor X (SINGLE PROTEIN), Homo sapiens
UniProt: P00742
Assay: Inhibition of human factor 10a using N-Z-D-Arg-Gly-Arg-pNA, S-2765 chromogenic substrate
Measurement: IC50 = 37.65 nM (pChEMBL 7.420000076293945)
Descriptors: MW 519, ALogP 3.99, HBA 7, HBD 1, PSA 102.01, QED 0.55
Compound (SMILES): NS(=O)(=O)c1ccccc1-c1ccc2c(c1)OC[C@H]1[C@H](CNC(=O)c3ccc(Cl)s3)OC(=O)N21
InChIKey: BXTOKUVHUHICRG-RDJZCZTQSA-N
Target: Coagulation factor X (SINGLE PROTEIN), Homo sapiens
UniProt: P00742
Assay: Inhibition of human factor 10a using N-Z-D-Arg-Gly-Arg-pNA, S-2765 chromogenic substrate
Measurement: IC50 = 60.56 nM (pChEMBL 7.21999979019165)
Descriptors: MW 519.99, ALogP 3.23, HBA 7, HBD 2, PSA 128.03, QED 0.53
Compound (SMILES): O=C(NC[C@@H]1OC(=O)N2c3ccc(N4CCOCC4=O)cc3OC[C@@H]12)c1ccc(Cl)cc1
InChIKey: NFECOWUHXINWFC-HKUYNNGSSA-N
Target: Coagulation factor X (SINGLE PROTEIN), Homo sapiens
UniProt: P00742
Assay: Inhibition of human factor 10a using N-Z-D-Arg-Gly-Arg-pNA, S-2765 chromogenic substrate
Measurement: IC50 = 160 nM (pChEMBL 6.800000190734863)
Descriptors: MW 457.87, ALogP 2.22, HBA 6, HBD 1, PSA 97.41, QED 0.76
Compound (SMILES): O=C(NC[C@@H]1OC(=O)N2c3ccc(N4CCOCC4=O)cc3OC[C@@H]12)c1ccc(Cl)cn1
InChIKey: ITFNTOJZTHVFBN-WMZOPIPTSA-N
Target: Coagulation factor X (SINGLE PROTEIN), Homo sapiens
UniProt: P00742
Assay: Inhibition of human factor 10a using N-Z-D-Arg-Gly-Arg-pNA, S-2765 chromogenic substrate
Measurement: IC50 = 710 nM (pChEMBL 6.150000095367432)
Descriptors: MW 458.86, ALogP 1.61, HBA 7, HBD 1, PSA 110.3, QED 0.74
Compound (SMILES): COc1ccc(C(=O)NC[C@@H]2OC(=O)N3c4ccc(N5CCOCC5=O)cc4OC[C@@H]23)cc1
InChIKey: DPTQYIVFJQWWHY-ICSRJNTNSA-N
Target: Coagulation factor X (SINGLE PROTEIN), Homo sapiens
UniProt: P00742
Assay: Inhibition of human factor 10a using N-Z-D-Arg-Gly-Arg-pNA, S-2765 chromogenic substrate
Measurement: IC50 = 4780 nM (pChEMBL 5.320000171661377)
Descriptors: MW 453.45, ALogP 1.57, HBA 7, HBD 1, PSA 106.64, QED 0.73
Compound (SMILES): O=C(NC[C@@H]1OC(=O)N2c3ccc(N4CCOCC4=O)cc3OC[C@@H]12)c1cc(Cl)c(Cl)s1
InChIKey: VCCZBPRISWIBNC-ZFWWWQNUSA-N
Target: Coagulation factor X (SINGLE PROTEIN), Homo sapiens
UniProt: P00742
Assay: Inhibition of human factor 10a using N-Z-D-Arg-Gly-Arg-pNA, S-2765 chromogenic substrate
Measurement: IC50 = 8080 nM (pChEMBL 5.090000152587891)
Descriptors: MW 498.34, ALogP 2.93, HBA 7, HBD 1, PSA 97.41, QED 0.7
Compound (SMILES): O=C(NC[C@@H]1OC(=O)N2c3ccc(N4CCOCC4=O)cc3OC[C@@H]12)c1cnc(Cl)s1
InChIKey: PGYKDSWXZWWRSF-JSGCOSHPSA-N
Target: Coagulation factor X (SINGLE PROTEIN), Homo sapiens
UniProt: P00742
Assay: Inhibition of human factor 10a using N-Z-D-Arg-Gly-Arg-pNA, S-2765 chromogenic substrate
Measurement: IC50 = 7060 nM (pChEMBL 5.150000095367432)
Descriptors: MW 464.89, ALogP 1.68, HBA 8, HBD 1, PSA 110.3, QED 0.73
Compound (SMILES): O=C(NC[C@@H]1OC(=O)N2c3ccc(N4CCOCC4=O)cc3OC[C@@H]12)c1cc2cccc(Cl)c2s1
InChIKey: KVPBNLPMOYZNFW-HKUYNNGSSA-N
Target: Coagulation factor X (SINGLE PROTEIN), Homo sapiens
UniProt: P00742
Assay: Inhibition of human factor 10a using N-Z-D-Arg-Gly-Arg-pNA, S-2765 chromogenic substrate
Measurement: IC50 > 100000 nM (pChEMBL 4)
Descriptors: MW 513.96, ALogP 3.43, HBA 7, HBD 1, PSA 97.41, QED 0.57
Compound (SMILES): O=C(NC[C@@H]1OC(=O)N2c3ccc(N4CCOCC4=O)cc3OC[C@@H]12)c1cc2ccc(Cl)cc2s1
InChIKey: RNTHWICMDBXDIO-HKUYNNGSSA-N
Target: Coagulation factor X (SINGLE PROTEIN), Homo sapiens
UniProt: P00742
Assay: Inhibition of human factor 10a using N-Z-D-Arg-Gly-Arg-pNA, S-2765 chromogenic substrate
Measurement: IC50 = 1750 nM (pChEMBL 5.760000228881836)
Descriptors: MW 513.96, ALogP 3.43, HBA 7, HBD 1, PSA 97.41, QED 0.57
Compound (SMILES): O=C(NC[C@@H]1OC(=O)N2c3ccc(N4CCOCC4=O)cc3OC[C@@H]12)c1cc2cc(Cl)ccc2s1
InChIKey: RPJWTIDZUWQDRS-HKUYNNGSSA-N
Target: Coagulation factor X (SINGLE PROTEIN), Homo sapiens
UniProt: P00742
Assay: Inhibition of human factor 10a using N-Z-D-Arg-Gly-Arg-pNA, S-2765 chromogenic substrate
Measurement: IC50 = 25880 nM (pChEMBL 4.590000152587891)
Descriptors: MW 513.96, ALogP 3.43, HBA 7, HBD 1, PSA 97.41, QED 0.57
Compound (SMILES): O=C(NC[C@@H]1OC(=O)N2c3ccc(N4CCOCC4=O)cc3OC[C@@H]12)c1cc2c(Cl)cccc2s1
InChIKey: VZBDNOAPUHGUFY-HKUYNNGSSA-N
Target: Coagulation factor X (SINGLE PROTEIN), Homo sapiens
UniProt: P00742
Assay: Inhibition of human factor 10a using N-Z-D-Arg-Gly-Arg-pNA, S-2765 chromogenic substrate
Measurement: IC50 > 100000 nM (pChEMBL 4)
Descriptors: MW 513.96, ALogP 3.43, HBA 7, HBD 1, PSA 97.41, QED 0.57
Compound (SMILES): O=C(NC[C@@H]1OC(=O)N2c3ccc(N4CCOCC4=O)cc3OC[C@@H]12)c1sc2cc(Cl)ccc2c1Cl
InChIKey: GZHJPIJXDYADJN-WMZOPIPTSA-N
Target: Coagulation factor X (SINGLE PROTEIN), Homo sapiens
UniProt: P00742
Assay: Inhibition of human factor 10a using N-Z-D-Arg-Gly-Arg-pNA, S-2765 chromogenic substrate
Measurement: IC50 > 100000 nM (pChEMBL 4)
Descriptors: MW 548.4, ALogP 4.09, HBA 7, HBD 1, PSA 97.41, QED 0.53
Compound (SMILES): O=C(CSCCCl)NC[C@@H]1OC(=O)N2c3ccc(N4CCOCC4=O)cc3OC[C@@H]12
InChIKey: IMNKRXWVSKBJEF-HOCLYGCPSA-N
Target: Coagulation factor X (SINGLE PROTEIN), Homo sapiens
UniProt: P00742
Assay: Inhibition of human factor 10a using N-Z-D-Arg-Gly-Arg-pNA, S-2765 chromogenic substrate
Measurement: IC50 > 100000 nM (pChEMBL 4)
Descriptors: MW 455.92, ALogP 1.22, HBA 7, HBD 1, PSA 97.41, QED 0.49
Compound (SMILES): O=C(NC[C@@H]1OC(=O)N2c3ccc(N4CCOCC4=O)cc3OC[C@@H]12)C(Cl)Cl
InChIKey: KJBZLQLGSANIFH-AAEUAGOBSA-N
Target: Coagulation factor X (SINGLE PROTEIN), Homo sapiens
UniProt: P00742
Assay: Inhibition of human factor 10a using N-Z-D-Arg-Gly-Arg-pNA, S-2765 chromogenic substrate
Measurement: IC50 = 52690 nM (pChEMBL 4.28000020980835)
Descriptors: MW 430.24, ALogP 1.06, HBA 6, HBD 1, PSA 97.41, QED 0.72
Compound (SMILES): O=C(NC[C@@H]1OC(=O)N2c3ccc(N4CCOCC4=O)cc3OC[C@@H]12)Nc1ccc(Cl)s1
InChIKey: PZEHGCYSEIYNMX-ZFWWWQNUSA-N
Target: Coagulation factor X (SINGLE PROTEIN), Homo sapiens
UniProt: P00742
Assay: Inhibition of human factor 10a using N-Z-D-Arg-Gly-Arg-pNA, S-2765 chromogenic substrate
Measurement: IC50 = 88.53 nM (pChEMBL 7.050000190734863)
Descriptors: MW 478.91, ALogP 2.67, HBA 7, HBD 2, PSA 109.44, QED 0.7
Compound (SMILES): O=C(NC[C@@H]1OC(=O)N2c3ccc(N4CCOCC4=O)cc3OC[C@@H]12)Nc1ccc(Cl)cc1
InChIKey: XZLCRFXUQCXLRI-HKUYNNGSSA-N
Target: Coagulation factor X (SINGLE PROTEIN), Homo sapiens
UniProt: P00742
Assay: Inhibition of human factor 10a using N-Z-D-Arg-Gly-Arg-pNA, S-2765 chromogenic substrate
Measurement: IC50 = 32.08 nM (pChEMBL 7.489999771118164)
Descriptors: MW 472.89, ALogP 2.61, HBA 6, HBD 2, PSA 109.44, QED 0.71
Compound (SMILES): O=C(NC[C@@H]1OC(=O)N2c3ccc(N4CCOCC4=O)cc3OC[C@@H]12)C(=O)Nc1ccc(Cl)s1
InChIKey: QEPMFTFFAAPNBE-ZFWWWQNUSA-N
Target: Coagulation factor X (SINGLE PROTEIN), Homo sapiens
UniProt: P00742
Assay: Inhibition of human factor 10a using N-Z-D-Arg-Gly-Arg-pNA, S-2765 chromogenic substrate
Measurement: IC50 = 560 nM (pChEMBL 6.25)
Descriptors: MW 506.92, ALogP 1.61, HBA 8, HBD 2, PSA 126.51, QED 0.6
Compound (SMILES): O=C(NC[C@@H]1OC(=O)N2c3ccc(N4CCOCC4=O)cc3OC[C@@H]12)C(=O)Nc1ccc(Cl)cn1
InChIKey: QSIQWKDCAKZIDE-RDJZCZTQSA-N
Target: Coagulation factor X (SINGLE PROTEIN), Homo sapiens
UniProt: P00742
Assay: Inhibition of human factor 10a using N-Z-D-Arg-Gly-Arg-pNA, S-2765 chromogenic substrate
Measurement: IC50 = 1210 nM (pChEMBL 5.920000076293945)
Descriptors: MW 501.88, ALogP 0.94, HBA 8, HBD 2, PSA 139.4, QED 0.59
Compound (SMILES): O=C(NC[C@@H]1OC(=O)N2c3ccc(N4CCOCC4=O)cc3OC[C@@H]12)C(=O)Nc1ccc(Cl)cc1
InChIKey: OPVMBAVPYOLCFA-HKUYNNGSSA-N
Target: Coagulation factor X (SINGLE PROTEIN), Homo sapiens
UniProt: P00742
Assay: Inhibition of human factor 10a using N-Z-D-Arg-Gly-Arg-pNA, S-2765 chromogenic substrate
Measurement: IC50 = 310 nM (pChEMBL 6.510000228881836)
Descriptors: MW 500.9, ALogP 1.54, HBA 7, HBD 2, PSA 126.51, QED 0.61
Compound (SMILES): O=C(Nc1ccc(Cl)s1)[C@@H]1OC(=O)N2c3ccc(N4CCOCC4=O)cc3OC[C@@H]12
InChIKey: IKAIYXKHSIVBTO-YVEFUNNKSA-N
Target: Coagulation factor X (SINGLE PROTEIN), Homo sapiens
UniProt: P00742
Assay: Inhibition of human factor 10a using N-Z-D-Arg-Gly-Arg-pNA, S-2765 chromogenic substrate
Measurement: IC50 > 100000 nM (pChEMBL 4)
Descriptors: MW 449.87, ALogP 2.49, HBA 7, HBD 1, PSA 97.41, QED 0.77
Compound (SMILES): O=C(Nc1ccc(Cl)cn1)[C@@H]1OC(=O)N2c3ccc(N4CCOCC4=O)cc3OC[C@@H]12
InChIKey: TWYJUJOMSMYPCE-KBXCAEBGSA-N
Target: Coagulation factor X (SINGLE PROTEIN), Homo sapiens
UniProt: P00742
Assay: Inhibition of human factor 10a using N-Z-D-Arg-Gly-Arg-pNA, S-2765 chromogenic substrate
Measurement: IC50 > 100000 nM (pChEMBL 4)
Descriptors: MW 444.83, ALogP 1.82, HBA 7, HBD 1, PSA 110.3, QED 0.77
Compound (SMILES): O=C(NC[C@@H]1OC(=O)N2c3ccc(N4CCOCC4=O)cc3SC[C@@H]12)c1ccc(Cl)s1
InChIKey: UFIIHRKNTSGIDF-KBPBESRZSA-N
Target: Coagulation factor X (SINGLE PROTEIN), Homo sapiens
UniProt: P00742
Assay: Inhibition of human factor 10a using N-Z-D-Arg-Gly-Arg-pNA, S-2765 chromogenic substrate
Measurement: IC50 = 2.51 nM (pChEMBL 8.600000381469727)
Descriptors: MW 479.97, ALogP 2.99, HBA 7, HBD 1, PSA 88.18, QED 0.72
Compound (SMILES): O=C(NC[C@@H]1OC(=O)N2c3ccc(N4CCCCC4=O)cc3SC[C@@H]12)c1ccc(Cl)s1
InChIKey: BPAVSOQILRUXCL-GJZGRUSLSA-N
Target: Coagulation factor X (SINGLE PROTEIN), Homo sapiens
UniProt: P00742
Assay: Inhibition of human factor 10a using N-Z-D-Arg-Gly-Arg-pNA, S-2765 chromogenic substrate
Measurement: IC50 = 4.89 nM (pChEMBL 8.3100004196167)
Descriptors: MW 478, ALogP 4.15, HBA 6, HBD 1, PSA 78.95, QED 0.72
Compound (SMILES): O=C(NC[C@@H]1OC(=O)N2c3ccc(N4CCOCC4=O)cc3SC[C@@H]12)c1ccc(Cl)cc1
InChIKey: YIZZTQBVNIAIIS-ROUUACIJSA-N
Target: Coagulation factor X (SINGLE PROTEIN), Homo sapiens
UniProt: P00742
Assay: Inhibition of human factor 10a using N-Z-D-Arg-Gly-Arg-pNA, S-2765 chromogenic substrate
Measurement: IC50 = 45.22 nM (pChEMBL 7.340000152587891)
Descriptors: MW 473.94, ALogP 2.93, HBA 6, HBD 1, PSA 88.18, QED 0.73
Compound (SMILES): O=C(NC[C@@H]1OC(=O)N2c3ccc(N4CCOCC4=O)cc3[S+]([O-])C[C@@H]12)c1ccc(Cl)s1
InChIKey: IBRFFBPKXSNZPF-KWRBWASUSA-N
Target: Coagulation factor X (SINGLE PROTEIN), Homo sapiens
UniProt: P00742
Assay: Inhibition of human factor 10a using N-Z-D-Arg-Gly-Arg-pNA, S-2765 chromogenic substrate
Measurement: IC50 = 63.96 nM (pChEMBL 7.190000057220459)
Descriptors: MW 495.97, ALogP 2.01, HBA 7, HBD 1, PSA 111.24, QED 0.65
Compound (SMILES): O=C(NC[C@@H]1OC(=O)N2c3ccc(N4CCOCC4=O)cc3S(=O)(=O)C[C@@H]12)c1ccc(Cl)s1
InChIKey: MQFNNCYEXJQVRK-KBPBESRZSA-N
Target: Coagulation factor X (SINGLE PROTEIN), Homo sapiens
UniProt: P00742
Assay: Inhibition of human factor 10a using N-Z-D-Arg-Gly-Arg-pNA, S-2765 chromogenic substrate
Measurement: IC50 = 17.37 nM (pChEMBL 7.760000228881836)
Descriptors: MW 511.97, ALogP 1.68, HBA 8, HBD 1, PSA 122.32, QED 0.66
Compound (SMILES): O=C(NC[C@@H]1OC(=O)N2c3ccc(N4CCCCC4=O)cc3S(=O)(=O)C[C@@H]12)c1ccc(Cl)s1
InChIKey: OVPDJDDAINGUPH-GJZGRUSLSA-N
Target: Coagulation factor X (SINGLE PROTEIN), Homo sapiens
UniProt: P00742
Assay: Inhibition of human factor 10a using N-Z-D-Arg-Gly-Arg-pNA, S-2765 chromogenic substrate
Measurement: IC50 = 50.52 nM (pChEMBL 7.300000190734863)
Descriptors: MW 509.99, ALogP 2.83, HBA 7, HBD 1, PSA 113.09, QED 0.68
Compound (SMILES): CS(=O)(=O)c1ccccc1-c1ccc2c(c1)SC[C@H]1[C@H](CNC(=O)c3ccc(Cl)s3)OC(=O)N21
InChIKey: LSUQFPMHZLFNPC-IRXDYDNUSA-N
Target: Coagulation factor X (SINGLE PROTEIN), Homo sapiens
UniProt: P00742
Assay: Inhibition of human factor 10a using N-Z-D-Arg-Gly-Arg-pNA, S-2765 chromogenic substrate
Measurement: IC50 = 20.87 nM (pChEMBL 7.679999828338623)
Descriptors: MW 535.07, ALogP 4.7, HBA 7, HBD 1, PSA 92.78, QED 0.51
Compound (SMILES): CS(=O)(=O)c1ccccc1-c1ccc2c(c1)SC[C@H]1[C@H](CNC(=O)c3ccc(Cl)cc3)OC(=O)N21
InChIKey: YKABNEZNWJUVBR-SFTDATJTSA-N
Target: Coagulation factor X (SINGLE PROTEIN), Homo sapiens
UniProt: P00742
Assay: Inhibition of human factor 10a using N-Z-D-Arg-Gly-Arg-pNA, S-2765 chromogenic substrate
Measurement: IC50 = 1610 nM (pChEMBL 5.789999961853027)
Descriptors: MW 529.04, ALogP 4.64, HBA 6, HBD 1, PSA 92.78, QED 0.52
Compound (SMILES): O=C(NC[C@@H]1OC(=O)N2c3ccc(N4CCOCC4=O)cc3CC[C@@H]12)c1ccc(Cl)s1
InChIKey: DWIJIDWSULQVIV-HOTGVXAUSA-N
Target: Coagulation factor X (SINGLE PROTEIN), Homo sapiens
UniProt: P00742
Assay: Inhibition of human factor 10a using N-Z-D-Arg-Gly-Arg-pNA, S-2765 chromogenic substrate
Measurement: IC50 = 4.71 nM (pChEMBL 8.329999923706055)
Descriptors: MW 461.93, ALogP 2.83, HBA 6, HBD 1, PSA 88.18, QED 0.76
Compound (SMILES): O=C(NC[C@@H]1OC(=O)N2c3ccc(N4CCCCC4=O)cc3CC[C@@H]12)c1ccc(Cl)s1
InChIKey: JABFNUXAOLUVTP-IRXDYDNUSA-N
Target: Coagulation factor X (SINGLE PROTEIN), Homo sapiens
UniProt: P00742
Assay: Inhibition of human factor 10a using N-Z-D-Arg-Gly-Arg-pNA, S-2765 chromogenic substrate
Measurement: IC50 = 6.59 nM (pChEMBL 8.180000305175781)
Descriptors: MW 459.96, ALogP 3.99, HBA 5, HBD 1, PSA 78.95, QED 0.75
Compound (SMILES): CC(C)(C)OC(=O)N1C[C@H]2[C@H](CNC(=O)c3ccc(Cl)s3)OC(=O)N2c2ccc(N3CCCCC3=O)cc21
InChIKey: CILWZEQFONRPJT-OALUTQOASA-N
Target: Coagulation factor X (SINGLE PROTEIN), Homo sapiens
UniProt: P00742
Assay: Inhibition of human factor 10a using N-Z-D-Arg-Gly-Arg-pNA, S-2765 chromogenic substrate
Measurement: IC50 = 8180 nM (pChEMBL 5.090000152587891)
Descriptors: MW 561.06, ALogP 4.8, HBA 7, HBD 1, PSA 108.49, QED 0.58
Compound (SMILES): O=C(NC[C@@H]1OC(=O)N2c3ccc(N4CCOCC4=O)cc3NC[C@@H]12)c1ccc(Cl)s1
InChIKey: OBFDBUDQIYACGH-GJZGRUSLSA-N
Target: Coagulation factor X (SINGLE PROTEIN), Homo sapiens
UniProt: P00742
Assay: Inhibition of human factor 10a using N-Z-D-Arg-Gly-Arg-pNA, S-2765 chromogenic substrate
Measurement: IC50 = 5.06 nM (pChEMBL 8.300000190734863)
Descriptors: MW 462.92, ALogP 2.31, HBA 7, HBD 2, PSA 100.21, QED 0.72
Compound (SMILES): O=C(NC[C@@H]1OC(=O)N2c3ccc(N4CCCCC4=O)cc3NC[C@@H]12)c1ccc(Cl)s1
InChIKey: YLODSBOGZDCFBJ-HOTGVXAUSA-N
Target: Coagulation factor X (SINGLE PROTEIN), Homo sapiens
UniProt: P00742
Assay: Inhibition of human factor 10a using N-Z-D-Arg-Gly-Arg-pNA, S-2765 chromogenic substrate
Measurement: IC50 = 15.2 nM (pChEMBL 7.820000171661377)
Descriptors: MW 460.94, ALogP 3.47, HBA 6, HBD 2, PSA 90.98, QED 0.73