lovingscience/chembl-v37-raw-activities huggingface dataset:
Compound (SMILES): CN(C)CCCOc1ccc(-c2cc3c(NCCc4ccc(NC(=O)Nc5ccccc5)cc4)ncnc3o2)cc1
InChIKey: AWSFTVYABIVKMR-UHFFFAOYSA-N
Target: Aurora kinase A (SINGLE PROTEIN), Homo sapiens
UniProt: O14965
Assay: Inhibition of GST-tagged Aurora kinase A catalytic domain (123 to 401 amino acids) (unknown origin) expressed in sf9 cells using tetra(LRRWSLG) as substrate preincubated for 15 mins prior to substrate addition measured after 90 mins by luminescence assay
Measurement: IC50 = 61 nM (pChEMBL 7.210000038146973)
Descriptors: MW 550.66, ALogP 6.52, HBA 7, HBD 3, PSA 104.55, QED 0.15
Compound (SMILES): CN(C)CCOc1cccc(-c2cc3c(NCCc4ccc(NC(=O)Nc5ccccc5)cc4)ncnc3o2)c1
InChIKey: VQLNOPOZCKAEHI-UHFFFAOYSA-N
Target: Aurora kinase A (SINGLE PROTEIN), Homo sapiens
UniProt: O14965
Assay: Inhibition of GST-tagged Aurora kinase A catalytic domain (123 to 401 amino acids) (unknown origin) expressed in sf9 cells using tetra(LRRWSLG) as substrate preincubated for 15 mins prior to substrate addition measured after 90 mins by luminescence assay
Measurement: IC50 = 80 nM (pChEMBL 7.099999904632568)
Descriptors: MW 536.64, ALogP 6.13, HBA 7, HBD 3, PSA 104.55, QED 0.19
Compound (SMILES): O=C(Nc1ccccc1)Nc1cccc(CCNc2ncnc3oc(-c4ccccc4)c(-c4ccccc4)c23)c1
InChIKey: VGXRCDITQXUDTO-UHFFFAOYSA-N
Target: Aurora kinase A (SINGLE PROTEIN), Homo sapiens
UniProt: O14965
Assay: Inhibition of GST-tagged Aurora kinase A catalytic domain (123 to 401 amino acids) (unknown origin) expressed in sf9 cells using tetra(LRRWSLG) as substrate preincubated for 15 mins prior to substrate addition measured after 90 mins by luminescence assay
Measurement: IC50 > 10000 nM (pChEMBL 5)
Descriptors: MW 525.61, ALogP 7.86, HBA 5, HBD 3, PSA 92.08, QED 0.19
Compound (SMILES): O=C(Nc1ccccc1)Nc1ccc(Nc2ncnc3oc(-c4ccccc4)c(-c4ccccc4)c23)cc1
InChIKey: HMEFOYWOEZKPAT-UHFFFAOYSA-N
Target: Aurora kinase A (SINGLE PROTEIN), Homo sapiens
UniProt: O14965
Assay: Inhibition of GST-tagged Aurora kinase A catalytic domain (123 to 401 amino acids) (unknown origin) expressed in sf9 cells using tetra(LRRWSLG) as substrate preincubated for 15 mins prior to substrate addition measured after 90 mins by luminescence assay
Measurement: IC50 = 201 nM (pChEMBL 6.699999809265137)
Descriptors: MW 497.56, ALogP 7.94, HBA 5, HBD 3, PSA 92.08, QED 0.22
Compound (SMILES): O=C(Nc1ccccc1)Nc1ccc(CNc2ncnc3oc(-c4ccccc4)c(-c4ccccc4)c23)cc1
InChIKey: ORDJHYDDTQFOBO-UHFFFAOYSA-N
Target: Aurora kinase A (SINGLE PROTEIN), Homo sapiens
UniProt: O14965
Assay: Inhibition of GST-tagged Aurora kinase A catalytic domain (123 to 401 amino acids) (unknown origin) expressed in sf9 cells using tetra(LRRWSLG) as substrate preincubated for 15 mins prior to substrate addition measured after 90 mins by luminescence assay
Measurement: IC50 = 852 nM (pChEMBL 6.070000171661377)
Descriptors: MW 511.59, ALogP 7.81, HBA 5, HBD 3, PSA 92.08, QED 0.2
Compound (SMILES): O=C(Nc1ccccc1)Nc1ccc(CCCNc2ncnc3oc(-c4ccccc4)c(-c4ccccc4)c23)cc1
InChIKey: KBTXSMIADHLVRF-UHFFFAOYSA-N
Target: Aurora kinase A (SINGLE PROTEIN), Homo sapiens
UniProt: O14965
Assay: Inhibition of GST-tagged Aurora kinase A catalytic domain (123 to 401 amino acids) (unknown origin) expressed in sf9 cells using tetra(LRRWSLG) as substrate preincubated for 15 mins prior to substrate addition measured after 90 mins by luminescence assay
Measurement: IC50 > 10000 nM (pChEMBL 5)
Descriptors: MW 539.64, ALogP 8.25, HBA 5, HBD 3, PSA 92.08, QED 0.16
Compound (SMILES): O=C(NCc1ccccc1)Nc1ccc(CCNc2ncnc3oc(-c4ccccc4)c(-c4ccccc4)c23)cc1
InChIKey: WQFYTOGUHIWPDZ-UHFFFAOYSA-N
Target: Aurora kinase A (SINGLE PROTEIN), Homo sapiens
UniProt: O14965
Assay: Inhibition of GST-tagged Aurora kinase A catalytic domain (123 to 401 amino acids) (unknown origin) expressed in sf9 cells using tetra(LRRWSLG) as substrate preincubated for 15 mins prior to substrate addition measured after 90 mins by luminescence assay
Measurement: IC50 = 160 nM (pChEMBL 6.800000190734863)
Descriptors: MW 539.64, ALogP 7.53, HBA 5, HBD 3, PSA 92.08, QED 0.18
Compound (SMILES): NC(=O)Nc1ccc(CCNc2ncnc3oc(-c4ccccc4)c(-c4ccccc4)c23)cc1
InChIKey: WTZHJDHGLJEEOR-UHFFFAOYSA-N
Target: Aurora kinase A (SINGLE PROTEIN), Homo sapiens
UniProt: O14965
Assay: Inhibition of GST-tagged Aurora kinase A catalytic domain (123 to 401 amino acids) (unknown origin) expressed in sf9 cells using tetra(LRRWSLG) as substrate preincubated for 15 mins prior to substrate addition measured after 90 mins by luminescence assay
Measurement: IC50 = 929 nM (pChEMBL 6.03000020980835)
Descriptors: MW 449.51, ALogP 5.7, HBA 5, HBD 3, PSA 106.07, QED 0.3
Compound (SMILES): CNC(=O)Nc1ccc(CCNc2ncnc3oc(-c4ccccc4)c(-c4ccccc4)c23)cc1
InChIKey: SVEJPTFGIFCXHB-UHFFFAOYSA-N
Target: Aurora kinase A (SINGLE PROTEIN), Homo sapiens
UniProt: O14965
Assay: Inhibition of GST-tagged Aurora kinase A catalytic domain (123 to 401 amino acids) (unknown origin) expressed in sf9 cells using tetra(LRRWSLG) as substrate preincubated for 15 mins prior to substrate addition measured after 90 mins by luminescence assay
Measurement: IC50 = 203 nM (pChEMBL 6.690000057220459)
Descriptors: MW 463.54, ALogP 5.96, HBA 5, HBD 3, PSA 92.08, QED 0.28
Compound (SMILES): O=C(Nc1ccc(CCNc2ncnc3oc(-c4ccccc4)c(-c4ccccc4)c23)cc1)NC1CCCCC1
InChIKey: PFTMCAFYVMWNKR-UHFFFAOYSA-N
Target: Aurora kinase A (SINGLE PROTEIN), Homo sapiens
UniProt: O14965
Assay: Inhibition of GST-tagged Aurora kinase A catalytic domain (123 to 401 amino acids) (unknown origin) expressed in sf9 cells using tetra(LRRWSLG) as substrate preincubated for 15 mins prior to substrate addition measured after 90 mins by luminescence assay
Measurement: IC50 = 141 nM (pChEMBL 6.849999904632568)
Descriptors: MW 531.66, ALogP 7.67, HBA 5, HBD 3, PSA 92.08, QED 0.19
Compound (SMILES): COc1ccc(NC(=O)Nc2ccc(CCNc3ncnc4oc(-c5ccccc5)c(-c5ccccc5)c34)cc2)cc1
InChIKey: QHLCNDQTYWXRMM-UHFFFAOYSA-N
Target: Aurora kinase A (SINGLE PROTEIN), Homo sapiens
UniProt: O14965
Assay: Inhibition of GST-tagged Aurora kinase A catalytic domain (123 to 401 amino acids) (unknown origin) expressed in sf9 cells using tetra(LRRWSLG) as substrate preincubated for 15 mins prior to substrate addition measured after 90 mins by luminescence assay
Measurement: IC50 = 367 nM (pChEMBL 6.429999828338623)
Descriptors: MW 555.64, ALogP 7.86, HBA 6, HBD 3, PSA 101.31, QED 0.17
Compound (SMILES): O=C(Nc1ccc(F)cc1)Nc1ccc(CCNc2ncnc3oc(-c4ccccc4)c(-c4ccccc4)c23)cc1
InChIKey: XXCAJHMQLUBNSK-UHFFFAOYSA-N
Target: Aurora kinase A (SINGLE PROTEIN), Homo sapiens
UniProt: O14965
Assay: Inhibition of GST-tagged Aurora kinase A catalytic domain (123 to 401 amino acids) (unknown origin) expressed in sf9 cells using tetra(LRRWSLG) as substrate preincubated for 15 mins prior to substrate addition measured after 90 mins by luminescence assay
Measurement: IC50 = 123 nM (pChEMBL 6.909999847412109)
Descriptors: MW 543.6, ALogP 7.99, HBA 5, HBD 3, PSA 92.08, QED 0.18
Compound (SMILES): O=C(Nc1ccccc1)Nc1ccc(CCNc2ncnc3oc(-c4ccccc4)cc23)cc1
InChIKey: NFLOTXOSGLXAJZ-UHFFFAOYSA-N
Target: Aurora kinase A (SINGLE PROTEIN), Homo sapiens
UniProt: O14965
Assay: Inhibition of GST-tagged Aurora kinase A catalytic domain (123 to 401 amino acids) (unknown origin) expressed in sf9 cells using tetra(LRRWSLG) as substrate preincubated for 15 mins prior to substrate addition measured after 90 mins by luminescence assay
Measurement: IC50 = 140 nM (pChEMBL 6.849999904632568)
Descriptors: MW 449.51, ALogP 6.19, HBA 5, HBD 3, PSA 92.08, QED 0.28
Compound (SMILES): O=C(Nc1ccccc1)Nc1ccc(CCNc2ncnc3occ(-c4ccccc4)c23)cc1
InChIKey: PZLHOMRATVSUTJ-UHFFFAOYSA-N
Target: Aurora kinase A (SINGLE PROTEIN), Homo sapiens
UniProt: O14965
Assay: Inhibition of GST-tagged Aurora kinase A catalytic domain (123 to 401 amino acids) (unknown origin) expressed in sf9 cells using tetra(LRRWSLG) as substrate preincubated for 15 mins prior to substrate addition measured after 90 mins by luminescence assay
Measurement: IC50 = 342 nM (pChEMBL 6.46999979019165)
Descriptors: MW 449.51, ALogP 6.19, HBA 5, HBD 3, PSA 92.08, QED 0.28
Compound (SMILES): CN(C)CCOc1ccc(-c2cc3c(NCCc4ccc(NC(=O)Nc5ccccc5)cc4)ncnc3o2)cc1
InChIKey: GJFJLQXYFZSVOD-UHFFFAOYSA-N
Target: Aurora kinase B (SINGLE PROTEIN), Homo sapiens
UniProt: Q96GD4
Assay: Inhibition of Aurora kinase B (unknown origin)
Measurement: IC50 = 53 nM (pChEMBL 7.28000020980835)
Descriptors: MW 536.64, ALogP 6.13, HBA 7, HBD 3, PSA 104.55, QED 0.19
Compound (SMILES): CCN(CC)CCOc1ccc(-c2cc3c(NCCc4ccc(NC(=O)Nc5ccccc5)cc4)ncnc3o2)cc1
InChIKey: VTPQFEHGMAIXDV-UHFFFAOYSA-N
Target: Aurora kinase A (SINGLE PROTEIN), Homo sapiens
UniProt: O14965
Assay: Inhibition of GST-tagged Aurora kinase A catalytic domain (123 to 401 amino acids) (unknown origin) expressed in sf9 cells using tetra(LRRWSLG) as substrate preincubated for 15 mins prior to substrate addition measured after 90 mins by luminescence assay
Measurement: IC50 = 18 nM (pChEMBL 7.75)
Descriptors: MW 564.69, ALogP 6.91, HBA 7, HBD 3, PSA 104.55, QED 0.14
Compound (SMILES): CCCCN(CCCC)CCOc1ccc(-c2cc3c(NCCc4ccc(NC(=O)Nc5ccccc5)cc4)ncnc3o2)cc1
InChIKey: QTUXGVCSDKAGGZ-UHFFFAOYSA-N
Target: Aurora kinase A (SINGLE PROTEIN), Homo sapiens
UniProt: O14965
Assay: Inhibition of GST-tagged Aurora kinase A catalytic domain (123 to 401 amino acids) (unknown origin) expressed in sf9 cells using tetra(LRRWSLG) as substrate preincubated for 15 mins prior to substrate addition measured after 90 mins by luminescence assay
Measurement: IC50 = 124 nM (pChEMBL 6.909999847412109)
Descriptors: MW 620.8, ALogP 8.47, HBA 7, HBD 3, PSA 104.55, QED 0.1
Compound (SMILES): O=C(Nc1ccccc1)Nc1ccc(CCNc2ncnc3oc(-c4ccc(OCCN5CCCC5)cc4)cc23)cc1
InChIKey: KOTFMMXTZBRZSW-UHFFFAOYSA-N
Target: Aurora kinase A (SINGLE PROTEIN), Homo sapiens
UniProt: O14965
Assay: Inhibition of GST-tagged Aurora kinase A catalytic domain (123 to 401 amino acids) (unknown origin) expressed in sf9 cells using tetra(LRRWSLG) as substrate preincubated for 15 mins prior to substrate addition measured after 90 mins by luminescence assay
Measurement: IC50 = 107 nM (pChEMBL 6.96999979019165)
Descriptors: MW 562.67, ALogP 6.66, HBA 7, HBD 3, PSA 104.55, QED 0.17
Compound (SMILES): O=C(COc1ccccc1)NCCSc1c[nH]c2ccccc12
InChIKey: NPQPYCILAYVQJH-UHFFFAOYSA-N
Target: Enoyl-[acyl-carrier-protein] reductase [NADH] (SINGLE PROTEIN), Francisella tularensis subsp. tularensis (strain SCHU S4 / Schu 4)
UniProt: Q5NGQ3
Assay: Inhibition of Francisella tularensis SCHU S4 FabI F203L mutant using CrCoA as substrate by UV-vis spectrophotometric analysis in presence of non pre-equilibrated NAD+
Measurement: IC50 = 80000 nM (pChEMBL 4.099999904632568)
Descriptors: MW 326.42, ALogP 3.46, HBA 3, HBD 2, PSA 54.12, QED 0.52
Compound (SMILES): CN(Cc1ccccc1N)C(=O)c1cc2ccccc2o1
InChIKey: XSRAOBHHWPYBSE-UHFFFAOYSA-N
Target: Enoyl-[acyl-carrier-protein] reductase [NADH] (SINGLE PROTEIN), Francisella tularensis subsp. tularensis (strain SCHU S4 / Schu 4)
UniProt: Q5NGQ3
Assay: Inhibition of C-terminal His6-tagged Francisella tularensis SCHU S4 FabI expressed in Escherichia coli BL21 (DE3) using CrCoA as substrate assessed as oxidation of NADH to NAD+ by fluorescence assay
Measurement: IC50 = 45000 nM (pChEMBL 4.349999904632568)
Descriptors: MW 280.33, ALogP 3.29, HBA 3, HBD 1, PSA 59.47, QED 0.75
Compound (SMILES): N#Cc1ccc(Oc2ccccc2O)c(F)c1
InChIKey: OCEOHJLRTQYDSB-UHFFFAOYSA-N
Target: Enoyl-[acyl-carrier-protein] reductase [NADH] (SINGLE PROTEIN), Francisella tularensis subsp. tularensis (strain SCHU S4 / Schu 4)
UniProt: Q5NGQ3
Assay: Inhibition of C-terminal His6-tagged Francisella tularensis SCHU S4 FabI expressed in Escherichia coli BL21 (DE3) using CrCoA as substrate assessed as oxidation of NADH to NAD+ by fluorescence assay
Measurement: IC50 = 11000 nM (pChEMBL 4.960000038146973)
Descriptors: MW 229.21, ALogP 3.2, HBA 3, HBD 1, PSA 53.25, QED 0.86
Compound (SMILES): NC(=O)c1ccc(Oc2ccccc2O)c(F)c1
InChIKey: QPRLDDUZJVXUMF-UHFFFAOYSA-N
Target: Enoyl-[acyl-carrier-protein] reductase [NADH] (SINGLE PROTEIN), Francisella tularensis subsp. tularensis (strain SCHU S4 / Schu 4)
UniProt: Q5NGQ3
Assay: Inhibition of C-terminal His6-tagged Francisella tularensis SCHU S4 FabI expressed in Escherichia coli BL21 (DE3) using CrCoA as substrate assessed as oxidation of NADH to NAD+ by fluorescence assay
Measurement: IC50 = 6000 nM (pChEMBL 5.21999979019165)
Descriptors: MW 247.22, ALogP 2.42, HBA 3, HBD 2, PSA 72.55, QED 0.87
Compound (SMILES): O=C(Nc1ccc(Cl)cc1)C1CCCN(C(=O)c2cccc(-c3cccs3)c2)C1
InChIKey: WXBQPCKIPAMLGX-UHFFFAOYSA-N
Target: Transforming protein RhoA (SINGLE PROTEIN), Homo sapiens
UniProt: P61586
Assay: Inhibition of RhoC-mediated pathway in human PC3 cells assessed as inhibition of SRE-regulated gene transcription by luciferase reporter gene assay
Measurement: IC50 = 4700 nM (pChEMBL 5.329999923706055)
Descriptors: MW 424.95, ALogP 5.56, HBA 3, HBD 1, PSA 49.41, QED 0.6
Compound (SMILES): O=C(Nc1ccc(Cl)cc1)C1CCCN(C(=O)c2ccc(-c3ccco3)cc2)C1
InChIKey: IJYLNGSGWCJSNT-UHFFFAOYSA-N
Target: Transforming protein RhoA (SINGLE PROTEIN), Homo sapiens
UniProt: P61586
Assay: Inhibition of RhoC-mediated pathway in human PC3 cells assessed as inhibition of SRE-regulated gene transcription by luciferase reporter gene assay
Measurement: IC50 = 9200 nM (pChEMBL 5.039999961853027)
Descriptors: MW 408.89, ALogP 5.09, HBA 3, HBD 1, PSA 62.55, QED 0.65
Compound (SMILES): O=C(Nc1cccc(-c2ccco2)c1)C1CCCN(C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1
InChIKey: KEOBJHDLTRGAIN-UHFFFAOYSA-N
Target: Transforming protein RhoA (SINGLE PROTEIN), Homo sapiens
UniProt: P61586
Assay: Inhibition of RhoC-mediated pathway in human PC3 cells assessed as inhibition of SRE-regulated gene transcription by luciferase reporter gene assay
Measurement: IC50 = 21000 nM (pChEMBL 4.679999828338623)
Descriptors: MW 510.43, ALogP 6.48, HBA 3, HBD 1, PSA 62.55, QED 0.41
Compound (SMILES): O=C(Nc1cccc(OCc2ccccn2)c1)C1CCCN(C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1
InChIKey: LAHNEOUKQHYFNB-UHFFFAOYSA-N
Target: Transforming protein RhoA (SINGLE PROTEIN), Homo sapiens
UniProt: P61586
Assay: Inhibition of RhoC-mediated pathway in human PC3 cells assessed as inhibition of SRE-regulated gene transcription by luciferase reporter gene assay
Measurement: IC50 = 7400 nM (pChEMBL 5.130000114440918)
Descriptors: MW 551.49, ALogP 6.19, HBA 4, HBD 1, PSA 71.53, QED 0.37
Compound (SMILES): O=C(Nc1cccc(Oc2ccccn2)c1)C1CCCN(C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1
InChIKey: AGGCJNQGLWXFNU-UHFFFAOYSA-N
Target: Transforming protein RhoA (SINGLE PROTEIN), Homo sapiens
UniProt: P61586
Assay: Inhibition of RhoC-mediated pathway in human PC3 cells assessed as inhibition of SRE-regulated gene transcription by luciferase reporter gene assay
Measurement: IC50 = 10000 nM (pChEMBL 5)
Descriptors: MW 537.46, ALogP 6.4, HBA 4, HBD 1, PSA 71.53, QED 0.38
Compound (SMILES): CSc1cccc(NC(=O)C2CCCN(C(=O)c3cccc(-c4ccco4)c3)C2)c1
InChIKey: RXBYKHNWMUIGEP-UHFFFAOYSA-N
Target: Transforming protein RhoA (SINGLE PROTEIN), Homo sapiens
UniProt: P61586
Assay: Inhibition of RhoC-mediated pathway in human PC3 cells assessed as inhibition of SRE-regulated gene transcription by luciferase reporter gene assay
Measurement: IC50 = 10000 nM (pChEMBL 5)
Descriptors: MW 420.53, ALogP 5.16, HBA 4, HBD 1, PSA 62.55, QED 0.58
Compound (SMILES): O=C(Nc1ccc(Cl)nc1)C1CCCN(C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1
InChIKey: UTMOVZQACYNUDS-UHFFFAOYSA-N
Target: Transforming protein RhoA (SINGLE PROTEIN), Homo sapiens
UniProt: P61586
Assay: Inhibition of RhoC-mediated pathway in human PC3 cells assessed as inhibition of SRE-regulated gene transcription by luciferase reporter gene assay
Measurement: IC50 = 31000 nM (pChEMBL 4.510000228881836)
Descriptors: MW 479.81, ALogP 5.26, HBA 3, HBD 1, PSA 62.3, QED 0.48
Compound (SMILES): O=C(Nc1ccc(Cl)cc1)C1CCCN(C(=O)c2cccc(-c3ccco3)c2)C1
InChIKey: HERLZBNILRVHQN-UHFFFAOYSA-N
Target: Transforming protein RhoA (SINGLE PROTEIN), Homo sapiens
UniProt: P61586
Assay: Inhibition of RhoC-mediated pathway in human SK-Mel-147 cells assessed as inhibition of SRE-regulated gene transcription by luciferase reporter gene assay
Measurement: IC50 = 5300 nM (pChEMBL 5.28000020980835)
Descriptors: MW 408.89, ALogP 5.09, HBA 3, HBD 1, PSA 62.55, QED 0.65
Compound (SMILES): O=C(c1ccccc1)c1cccc(C(=O)N2CCCC(C(=O)Nc3ccc(Cl)cc3)C2)c1
InChIKey: VMHXARYHAWUZSN-UHFFFAOYSA-N
Target: Transforming protein RhoA (SINGLE PROTEIN), Homo sapiens
UniProt: P61586
Assay: Inhibition of RhoC-mediated pathway in human PC3 cells assessed as inhibition of SRE-regulated gene transcription by luciferase reporter gene assay
Measurement: IC50 = 9900 nM (pChEMBL 5)
Descriptors: MW 446.93, ALogP 5.06, HBA 3, HBD 1, PSA 66.48, QED 0.56
Compound (SMILES): O=C(Nc1ccc(Cl)cc1)C1CCCN(C(=O)c2cccc(-c3nccs3)c2)C1
InChIKey: ZNDXOUDEYZHYQE-UHFFFAOYSA-N
Target: Transforming protein RhoA (SINGLE PROTEIN), Homo sapiens
UniProt: P61586
Assay: Inhibition of RhoC-mediated pathway in human PC3 cells assessed as inhibition of SRE-regulated gene transcription by luciferase reporter gene assay
Measurement: IC50 = 27000 nM (pChEMBL 4.570000171661377)
Descriptors: MW 425.94, ALogP 4.95, HBA 4, HBD 1, PSA 62.3, QED 0.64
Compound (SMILES): CC(C)(C)CC(=O)Nc1cccc(C(=O)N2CCCC(C(=O)Nc3ccc(Cl)cc3)C2)c1
InChIKey: UWVXAKCERCVTQH-UHFFFAOYSA-N
Target: Transforming protein RhoA (SINGLE PROTEIN), Homo sapiens
UniProt: P61586
Assay: Inhibition of RhoC-mediated pathway in human PC3 cells assessed as inhibition of SRE-regulated gene transcription by luciferase reporter gene assay
Measurement: IC50 = 26000 nM (pChEMBL 4.579999923706055)
Descriptors: MW 455.99, ALogP 5.21, HBA 3, HBD 2, PSA 78.51, QED 0.65
Compound (SMILES): C=Cc1cccc(C(=O)N2CCCC(C(=O)Nc3ccc(Cl)cc3)C2)c1
InChIKey: ZOXRGDBGFKQBHU-UHFFFAOYSA-N
Target: Transforming protein RhoA (SINGLE PROTEIN), Homo sapiens
UniProt: P61586
Assay: Inhibition of RhoC-mediated pathway in human PC3 cells assessed as inhibition of SRE-regulated gene transcription by luciferase reporter gene assay
Measurement: IC50 = 33000 nM (pChEMBL 4.480000019073486)
Descriptors: MW 368.86, ALogP 4.47, HBA 2, HBD 1, PSA 49.41, QED 0.86
Compound (SMILES): Cc1nc(-c2cccc(C(=O)N3CCCC(C(=O)Nc4ccc(Cl)cc4)C3)c2)cs1
InChIKey: BOMWLCICNRJIED-UHFFFAOYSA-N
Target: Transforming protein RhoA (SINGLE PROTEIN), Homo sapiens
UniProt: P61586
Assay: Inhibition of RhoC-mediated pathway in human PC3 cells assessed as inhibition of SRE-regulated gene transcription by luciferase reporter gene assay
Measurement: IC50 = 33000 nM (pChEMBL 4.480000019073486)
Descriptors: MW 439.97, ALogP 5.26, HBA 4, HBD 1, PSA 62.3, QED 0.6
Compound (SMILES): Cc1cccc(C(=O)N2CCCC(C(=O)Nc3ccc(Cl)cc3)C2)c1
InChIKey: XKXZQWVDDIGXMS-UHFFFAOYSA-N
Target: Transforming protein RhoA (SINGLE PROTEIN), Homo sapiens
UniProt: P61586
Assay: Inhibition of RhoC-mediated pathway in human PC3 cells assessed as inhibition of SRE-regulated gene transcription by luciferase reporter gene assay
Measurement: IC50 = 35000 nM (pChEMBL 4.460000038146973)
Descriptors: MW 356.85, ALogP 4.14, HBA 2, HBD 1, PSA 49.41, QED 0.9
Compound (SMILES): CSc1cccc(C(=O)N2CCCC(C(=O)Nc3ccc(Cl)cc3)C2)c1
InChIKey: GWOYPRVQVUHBBV-UHFFFAOYSA-N
Target: Transforming protein RhoA (SINGLE PROTEIN), Homo sapiens
UniProt: P61586
Assay: Inhibition of RhoC-mediated pathway in human PC3 cells assessed as inhibition of SRE-regulated gene transcription by luciferase reporter gene assay
Measurement: IC50 = 35000 nM (pChEMBL 4.460000038146973)
Descriptors: MW 388.92, ALogP 4.55, HBA 3, HBD 1, PSA 49.41, QED 0.78
Compound (SMILES): O=C(Nc1ccc(Cl)cc1)C1CCCN(C(=O)c2cccc(-c3cnco3)c2)C1
InChIKey: LAKLCGNXYNXBFW-UHFFFAOYSA-N
Target: Transforming protein RhoA (SINGLE PROTEIN), Homo sapiens
UniProt: P61586
Assay: Inhibition of RhoC-mediated pathway in human PC3 cells assessed as inhibition of SRE-regulated gene transcription by luciferase reporter gene assay
Measurement: IC50 = 43000 nM (pChEMBL 4.369999885559082)
Descriptors: MW 409.87, ALogP 4.49, HBA 4, HBD 1, PSA 75.44, QED 0.69
Compound (SMILES): CCN(CC)S(=O)(=O)c1cccc(C(=O)N2CCCC(C(=O)Nc3ccc(Cl)cc3)C2)c1
InChIKey: SBQLVGREKANOAN-UHFFFAOYSA-N
Target: Transforming protein RhoA (SINGLE PROTEIN), Homo sapiens
UniProt: P61586
Assay: Inhibition of RhoC-mediated pathway in human PC3 cells assessed as inhibition of SRE-regulated gene transcription by luciferase reporter gene assay
Measurement: IC50 = 51000 nM (pChEMBL 4.289999961853027)
Descriptors: MW 478.01, ALogP 3.86, HBA 4, HBD 1, PSA 86.79, QED 0.66
Compound (SMILES): COC(=O)c1cccc(C(=O)N2CCCC(C(=O)Nc3ccc(Cl)cc3)C2)c1
InChIKey: XMYFQOYPBIYMCP-UHFFFAOYSA-N
Target: Transforming protein RhoA (SINGLE PROTEIN), Homo sapiens
UniProt: P61586
Assay: Inhibition of RhoC-mediated pathway in human PC3 cells assessed as inhibition of SRE-regulated gene transcription by luciferase reporter gene assay
Measurement: IC50 = 67000 nM (pChEMBL 4.170000076293945)
Descriptors: MW 400.86, ALogP 3.62, HBA 4, HBD 1, PSA 75.71, QED 0.8
Compound (SMILES): Cc1nc(-c2cccc(C(=O)N3CCCC(C(=O)Nc4ccc(Cl)cc4)C3)c2)no1
InChIKey: ZVXAXLBXZOUNJB-UHFFFAOYSA-N
Target: Transforming protein RhoA (SINGLE PROTEIN), Homo sapiens
UniProt: P61586
Assay: Inhibition of RhoC-mediated pathway in human PC3 cells assessed as inhibition of SRE-regulated gene transcription by luciferase reporter gene assay
Measurement: IC50 = 78000 nM (pChEMBL 4.110000133514404)
Descriptors: MW 424.89, ALogP 4.19, HBA 5, HBD 1, PSA 88.33, QED 0.68
Compound (SMILES): O=C(Nc1cccc(Oc2ccccc2)c1)C1CCCN(C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1
InChIKey: QETYFFHAWUQFJS-UHFFFAOYSA-N
Target: Transforming protein RhoA (SINGLE PROTEIN), Homo sapiens
UniProt: P61586
Assay: Inhibition of RhoC-mediated pathway in human PC3 cells assessed as inhibition of SRE-regulated gene transcription by luciferase reporter gene assay
Measurement: IC50 = 1500 nM (pChEMBL 5.820000171661377)
Descriptors: MW 536.47, ALogP 7.01, HBA 3, HBD 1, PSA 58.64, QED 0.36
Compound (SMILES): O=C(Nc1cccc(Cc2ccccc2)c1)C1CCCN(C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1
InChIKey: PIADYIGFSLLCTB-UHFFFAOYSA-N
Target: Transforming protein RhoA (SINGLE PROTEIN), Homo sapiens
UniProt: P61586
Assay: Inhibition of RhoC-mediated pathway in human PC3 cells assessed as inhibition of SRE-regulated gene transcription by luciferase reporter gene assay
Measurement: IC50 = 1600 nM (pChEMBL 5.800000190734863)
Descriptors: MW 534.5, ALogP 6.81, HBA 2, HBD 1, PSA 49.41, QED 0.37
Compound (SMILES): O=C(Nc1cccc(OCCc2ccccn2)c1)C1CCCN(C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1
InChIKey: ZMTCLCPTZFZZKO-UHFFFAOYSA-N
Target: Transforming protein RhoA (SINGLE PROTEIN), Homo sapiens
UniProt: P61586
Assay: Inhibition of RhoC-mediated pathway in human PC3 cells assessed as inhibition of SRE-regulated gene transcription by luciferase reporter gene assay
Measurement: IC50 = 2300 nM (pChEMBL 5.639999866485596)
Descriptors: MW 565.51, ALogP 6.23, HBA 4, HBD 1, PSA 71.53, QED 0.35
Compound (SMILES): O=C(Nc1cccc(S(=O)(=O)N2CCCC2)c1)C1CCCN(C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1
InChIKey: LQAKWNUACGLQAS-UHFFFAOYSA-N
Target: Transforming protein RhoA (SINGLE PROTEIN), Homo sapiens
UniProt: P61586
Assay: Inhibition of RhoC-mediated pathway in human PC3 cells assessed as inhibition of SRE-regulated gene transcription by luciferase reporter gene assay
Measurement: IC50 = 5600 nM (pChEMBL 5.25)
Descriptors: MW 577.55, ALogP 5, HBA 4, HBD 1, PSA 86.79, QED 0.51
Compound (SMILES): Cc1nc(-c2cccc(NC(=O)C3CCCN(C(=O)c4cc(C(F)(F)F)cc(C(F)(F)F)c4)C3)c2)cs1
InChIKey: YSSHRHDTIRCHTH-UHFFFAOYSA-N
Target: Transforming protein RhoA (SINGLE PROTEIN), Homo sapiens
UniProt: P61586
Assay: Inhibition of RhoC-mediated pathway in human PC3 cells assessed as inhibition of SRE-regulated gene transcription by luciferase reporter gene assay
Measurement: IC50 = 6100 nM (pChEMBL 5.210000038146973)
Descriptors: MW 541.52, ALogP 6.65, HBA 4, HBD 1, PSA 62.3, QED 0.38
Compound (SMILES): CCc1cccc(NC(=O)C2CCCN(C(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)c1
InChIKey: WDQLQDWWQIQYKE-UHFFFAOYSA-N
Target: Transforming protein RhoA (SINGLE PROTEIN), Homo sapiens
UniProt: P61586
Assay: Inhibition of RhoC-mediated pathway in human PC3 cells assessed as inhibition of SRE-regulated gene transcription by luciferase reporter gene assay
Measurement: IC50 = 8100 nM (pChEMBL 5.090000152587891)
Descriptors: MW 472.43, ALogP 5.78, HBA 2, HBD 1, PSA 49.41, QED 0.57
Compound (SMILES): C=Cc1cccc(NC(=O)C2CCCN(C(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)c1
InChIKey: WGNAHPCZZWVHEQ-UHFFFAOYSA-N
Target: Transforming protein RhoA (SINGLE PROTEIN), Homo sapiens
UniProt: P61586
Assay: Inhibition of RhoC-mediated pathway in human PC3 cells assessed as inhibition of SRE-regulated gene transcription by luciferase reporter gene assay
Measurement: IC50 = 11000 nM (pChEMBL 4.960000038146973)
Descriptors: MW 470.41, ALogP 5.86, HBA 2, HBD 1, PSA 49.41, QED 0.57
Compound (SMILES): O=C(Nc1cccc(-c2cnco2)c1)C1CCCN(C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1
InChIKey: KOXDICXZAUEDEM-UHFFFAOYSA-N
Target: Transforming protein RhoA (SINGLE PROTEIN), Homo sapiens
UniProt: P61586
Assay: Inhibition of RhoC-mediated pathway in human PC3 cells assessed as inhibition of SRE-regulated gene transcription by luciferase reporter gene assay
Measurement: IC50 = 12000 nM (pChEMBL 4.920000076293945)
Descriptors: MW 511.42, ALogP 5.87, HBA 4, HBD 1, PSA 75.44, QED 0.44
Compound (SMILES): CSc1cccc(NC(=O)C2CCCN(C(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)c1
InChIKey: YDYOFURHJHUTGS-UHFFFAOYSA-N
Target: Transforming protein RhoA (SINGLE PROTEIN), Homo sapiens
UniProt: P61586
Assay: Inhibition of RhoC-mediated pathway in human PC3 cells assessed as inhibition of SRE-regulated gene transcription by luciferase reporter gene assay
Measurement: IC50 = 12000 nM (pChEMBL 4.920000076293945)
Descriptors: MW 490.47, ALogP 5.94, HBA 3, HBD 1, PSA 49.41, QED 0.43
Compound (SMILES): COC(=O)c1cccc(NC(=O)C2CCCN(C(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)c1
InChIKey: FNKYEXOHYSZWEZ-UHFFFAOYSA-N
Target: Transforming protein RhoA (SINGLE PROTEIN), Homo sapiens
UniProt: P61586
Assay: Inhibition of RhoC-mediated pathway in human PC3 cells assessed as inhibition of SRE-regulated gene transcription by luciferase reporter gene assay
Measurement: IC50 = 26000 nM (pChEMBL 4.579999923706055)
Descriptors: MW 502.41, ALogP 5, HBA 4, HBD 1, PSA 75.71, QED 0.47
Compound (SMILES): COc1cccc(NC(=O)C2CCCN(C(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)c1
InChIKey: XVCXCZAUBCQNRH-UHFFFAOYSA-N
Target: Transforming protein RhoA (SINGLE PROTEIN), Homo sapiens
UniProt: P61586
Assay: Inhibition of RhoC-mediated pathway in human PC3 cells assessed as inhibition of SRE-regulated gene transcription by luciferase reporter gene assay
Measurement: IC50 = 30000 nM (pChEMBL 4.519999980926514)
Descriptors: MW 474.4, ALogP 5.22, HBA 3, HBD 1, PSA 58.64, QED 0.62
Compound (SMILES): N#Cc1cccc(NC(=O)C2CCCN(C(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)c1
InChIKey: LMHNOSNZKIDUKX-UHFFFAOYSA-N
Target: Transforming protein RhoA (SINGLE PROTEIN), Homo sapiens
UniProt: P61586
Assay: Inhibition of RhoC-mediated pathway in human PC3 cells assessed as inhibition of SRE-regulated gene transcription by luciferase reporter gene assay
Measurement: IC50 = 32000 nM (pChEMBL 4.5)
Descriptors: MW 469.38, ALogP 5.09, HBA 3, HBD 1, PSA 73.2, QED 0.64
Compound (SMILES): O=C(Nc1cccc(CN2CCOCC2)c1)C1CCCN(C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1
InChIKey: JUNNVCZQHLEVMH-UHFFFAOYSA-N
Target: Transforming protein RhoA (SINGLE PROTEIN), Homo sapiens
UniProt: P61586
Assay: Inhibition of RhoC-mediated pathway in human PC3 cells assessed as inhibition of SRE-regulated gene transcription by luciferase reporter gene assay
Measurement: IC50 = 32000 nM (pChEMBL 4.5)
Descriptors: MW 543.51, ALogP 5.05, HBA 4, HBD 1, PSA 61.88, QED 0.54
Compound (SMILES): O=C(Nc1cccc([N+](=O)[O-])c1)C1CCCN(C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1
InChIKey: MMRBDGSWRBYYKO-UHFFFAOYSA-N
Target: Transforming protein RhoA (SINGLE PROTEIN), Homo sapiens
UniProt: P61586
Assay: Inhibition of RhoC-mediated pathway in human PC3 cells assessed as inhibition of SRE-regulated gene transcription by luciferase reporter gene assay
Measurement: IC50 = 66000 nM (pChEMBL 4.179999828338623)
Descriptors: MW 489.37, ALogP 5.12, HBA 4, HBD 1, PSA 92.55, QED 0.37
Compound (SMILES): CC(=O)c1cccc(NC(=O)C2CCCN(C(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)c1
InChIKey: QTNWXMYIHXVYIP-UHFFFAOYSA-N
Target: Transforming protein RhoA (SINGLE PROTEIN), Homo sapiens
UniProt: P61586
Assay: Inhibition of RhoC-mediated pathway in human PC3 cells assessed as inhibition of SRE-regulated gene transcription by luciferase reporter gene assay
Measurement: IC50 = 76000 nM (pChEMBL 4.119999885559082)
Descriptors: MW 486.41, ALogP 5.42, HBA 3, HBD 1, PSA 66.48, QED 0.46
Compound (SMILES): CC(C)[C@@H](NC(=O)CC(C)(C)O)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1
InChIKey: PTNKPLPRPJERNR-XXBNENTESA-N
Target: C-C chemokine receptor type 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P32246
Assay: Displacement of [125I]MIP-1alpha from CCR1 in human THP1 cells
Measurement: IC50 = 3 nM (pChEMBL 8.520000457763672)
Descriptors: MW 439, ALogP 3.09, HBA 4, HBD 3, PSA 89.87, QED 0.64
Compound (SMILES): CC(C)[C@@H](NC(=O)CC1CC1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1
InChIKey: CZEQXLMAKRKHJC-OFNKIYASSA-N
Target: C-C chemokine receptor type 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P32246
Assay: Binding affinity to human CCR1
Measurement: IC50 = 1 nM (pChEMBL 9)
Descriptors: MW 420.98, ALogP 3.73, HBA 3, HBD 2, PSA 69.64, QED 0.74
Compound (SMILES): CC(C)[C@@H](NC(=O)c1cccnc1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C2(CC2)C1
InChIKey: INPMLYNZFCJRLY-YKSBVNFPSA-N
Target: C-C chemokine receptor type 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P32246
Assay: Antagonist activity at human CCR1 assessed as inhibition of MIP1alpha-induced chemotaxis
Measurement: IC50 = 21 nM (pChEMBL 7.679999828338623)
Descriptors: MW 441.96, ALogP 3.39, HBA 4, HBD 2, PSA 82.53, QED 0.74
Compound (SMILES): CC(C)[C@@H](NC(=O)[C@@H]1CC[C@@H](N)C1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1
InChIKey: QXDGTGQXDUXRFU-YBNJHJSASA-N
Target: C-C chemokine receptor type 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P32246
Assay: Binding affinity to human CCR1
Measurement: IC50 = 341 nM (pChEMBL 6.46999979019165)
Descriptors: MW 450.02, ALogP 3.05, HBA 4, HBD 3, PSA 95.66, QED 0.64
Compound (SMILES): CC(C)[C@@H](NC(=O)[C@@H]1CC[C@H](N)C1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1
InChIKey: QXDGTGQXDUXRFU-QHCFZIRBSA-N
Target: C-C chemokine receptor type 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P32246
Assay: Binding affinity to human CCR1
Measurement: IC50 = 1603 nM (pChEMBL 5.789999961853027)
Descriptors: MW 450.02, ALogP 3.05, HBA 4, HBD 3, PSA 95.66, QED 0.64
Compound (SMILES): CC(C)[C@@H](NC(=O)[C@H]1CC[C@@H](N)C1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1
InChIKey: QXDGTGQXDUXRFU-CDNOPDGFSA-N
Target: C-C chemokine receptor type 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P32246
Assay: Binding affinity to human CCR1
Measurement: IC50 = 194 nM (pChEMBL 6.710000038146973)
Descriptors: MW 450.02, ALogP 3.05, HBA 4, HBD 3, PSA 95.66, QED 0.64
Compound (SMILES): CC(C)[C@@H](NC(=O)[C@@H]1CCC[C@@H]1O)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1
InChIKey: BPFQMWZMSDPOCI-ZSTWQFLISA-N
Target: Nuclear receptor subfamily 1 group I member 2 (SINGLE PROTEIN), Homo sapiens
UniProt: O75469
Assay: Induction of PXR (unknown origin)
Measurement: EC50 = 1400 nM (pChEMBL 5.849999904632568)
Descriptors: MW 451.01, ALogP 3.09, HBA 4, HBD 3, PSA 89.87, QED 0.64
Compound (SMILES): CC(C)[C@@H](NC(=O)[C@@H]1CCC[C@H]1O)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1
InChIKey: BPFQMWZMSDPOCI-FIXDAVPBSA-N
Target: C-C chemokine receptor type 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P32246
Assay: Binding affinity to human CCR1
Measurement: IC50 = 20 nM (pChEMBL 7.699999809265137)
Descriptors: MW 451.01, ALogP 3.09, HBA 4, HBD 3, PSA 89.87, QED 0.64
Compound (SMILES): CC(C)[C@@H](NC(=O)[C@@H]1CCC[C@@H]1N)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1
InChIKey: NNHDILPNEWHAFE-ZSTWQFLISA-N
Target: Nuclear receptor subfamily 1 group I member 2 (SINGLE PROTEIN), Homo sapiens
UniProt: O75469
Assay: Induction of PXR (unknown origin)
Measurement: EC50 = 8500 nM (pChEMBL 5.070000171661377)
Descriptors: MW 450.02, ALogP 3.05, HBA 4, HBD 3, PSA 95.66, QED 0.64
Compound (SMILES): CC(C)[C@@H](NC(=O)[C@@H]1CCC[C@H]1N)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1
InChIKey: NNHDILPNEWHAFE-FIXDAVPBSA-N
Target: C-C chemokine receptor type 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P32246
Assay: Binding affinity to human CCR1
Measurement: IC50 = 17 nM (pChEMBL 7.769999980926514)
Descriptors: MW 450.02, ALogP 3.05, HBA 4, HBD 3, PSA 95.66, QED 0.64
Compound (SMILES): CC(C)[C@@H](NC(=O)[C@@H]1CC[C@@H](O)C1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1
InChIKey: WIHIXSCKSFSENF-YBNJHJSASA-N
Target: C-C chemokine receptor type 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P32246
Assay: Antagonist activity at CCR1 in whole blood (unknown origin) assessed as inhibition of LKN1-induced upregulation of beta2-integrin CD11b
Measurement: IC50 = 54 nM (pChEMBL 7.269999980926514)
Descriptors: MW 451.01, ALogP 3.09, HBA 4, HBD 3, PSA 89.87, QED 0.64
Compound (SMILES): CC(C)[C@@H](NC(=O)[C@H]1CC[C@H](O)C1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1
InChIKey: WIHIXSCKSFSENF-QSXDINTFSA-N
Target: C-C chemokine receptor type 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P32246
Assay: Antagonist activity at human CCR1 assessed as inhibition of MIP1alpha-induced chemotaxis
Measurement: IC50 = 12 nM (pChEMBL 7.920000076293945)
Descriptors: MW 451.01, ALogP 3.09, HBA 4, HBD 3, PSA 89.87, QED 0.64
Compound (SMILES): CC(C)[C@@H](NC(=O)[C@H]1CC[C@@H](O)C1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1
InChIKey: WIHIXSCKSFSENF-CDNOPDGFSA-N
Target: C-C chemokine receptor type 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P32246
Assay: Antagonist activity at human CCR1 assessed as inhibition of MIP1alpha-induced chemotaxis
Measurement: IC50 = 1.1 nM (pChEMBL 8.960000038146973)
Descriptors: MW 451.01, ALogP 3.09, HBA 4, HBD 3, PSA 89.87, QED 0.64
Compound (SMILES): CC(C)[C@@H](NC(=O)[C@@H]1CC[C@H](O)C1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1
InChIKey: WIHIXSCKSFSENF-QHCFZIRBSA-N
Target: C-C chemokine receptor type 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P32246
Assay: Antagonist activity at human CCR1 assessed as inhibition of MIP1alpha-induced chemotaxis
Measurement: IC50 = 2.9 nM (pChEMBL 8.539999961853027)
Descriptors: MW 451.01, ALogP 3.09, HBA 4, HBD 3, PSA 89.87, QED 0.64
Compound (SMILES): CC(C)[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1
InChIKey: QLXWINXJQONIRY-BWKNWUBXSA-N
Target: C-C chemokine receptor type 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P32246
Assay: Antagonist activity at human CCR1 assessed as inhibition of MIP1alpha-induced chemotaxis
Measurement: IC50 = 5.5 nM (pChEMBL 8.260000228881836)
Descriptors: MW 477.43, ALogP 4.89, HBA 3, HBD 2, PSA 69.64, QED 0.64
Compound (SMILES): CC(C)[C@@H](NC(=O)c1ccc(S(N)(=O)=O)cc1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1
InChIKey: VOAOTBHWMPXSAD-BWKNWUBXSA-N
Target: C-C chemokine receptor type 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P32246
Assay: Binding affinity to human CCR1
Measurement: IC50 = 233 nM (pChEMBL 6.630000114440918)
Descriptors: MW 522.07, ALogP 2.89, HBA 5, HBD 3, PSA 129.8, QED 0.54
Compound (SMILES): CC(C)[C@@H](NC(=O)c1ccccc1C(=O)O)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1
InChIKey: DCNBYQFGSYVCDT-RLWLMLJZSA-N
Target: C-C chemokine receptor type 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P32246
Assay: Binding affinity to human CCR1
Measurement: IC50 = 2940 nM (pChEMBL 5.53000020980835)
Descriptors: MW 487, ALogP 3.94, HBA 4, HBD 3, PSA 106.94, QED 0.57
Compound (SMILES): CC(C)[C@@H](NC(=O)c1cccc(C(=O)O)c1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1
InChIKey: YQCGOOSKIKUVNW-RLWLMLJZSA-N
Target: C-C chemokine receptor type 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P32246
Assay: Antagonist activity at human CCR1 assessed as inhibition of MIP1alpha-induced chemotaxis
Measurement: IC50 = 8.9 nM (pChEMBL 8.050000190734863)
Descriptors: MW 487, ALogP 3.94, HBA 4, HBD 3, PSA 106.94, QED 0.57
Compound (SMILES): CC(C)[C@@H](NC(=O)c1ccccn1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1
InChIKey: UIWJNALRAPPGAP-YKSBVNFPSA-N
Target: C-C chemokine receptor type 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P32246
Assay: Binding affinity to human CCR1
Measurement: IC50 = 15 nM (pChEMBL 7.820000171661377)
Descriptors: MW 443.98, ALogP 3.64, HBA 4, HBD 2, PSA 82.53, QED 0.74
Compound (SMILES): CC(C)[C@@H](NC(=O)c1cccnc1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1
InChIKey: TUOIZQMYAOXMCX-YKSBVNFPSA-N
Target: C-C chemokine receptor type 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P32246
Assay: Antagonist activity at human CCR1 assessed as inhibition of MIP1alpha-induced chemotaxis
Measurement: IC50 = 6.1 nM (pChEMBL 8.210000038146973)
Descriptors: MW 443.98, ALogP 3.64, HBA 4, HBD 2, PSA 82.53, QED 0.74
Compound (SMILES): CC(C)[C@@H](NC(=O)c1ccncc1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1
InChIKey: DMICWLLFOPDTJI-YKSBVNFPSA-N
Target: C-C chemokine receptor type 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P32246
Assay: Binding affinity to human CCR1
Measurement: IC50 = 7.6 nM (pChEMBL 8.119999885559082)
Descriptors: MW 443.98, ALogP 3.64, HBA 4, HBD 2, PSA 82.53, QED 0.74
Compound (SMILES): CC(C)[C@@H](NC(=O)Cc1ccccc1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1
InChIKey: BTTPMBZRAKDLHK-BVAGGSTKSA-N
Target: C-C chemokine receptor type 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P32246
Assay: Antagonist activity at human CCR1 assessed as inhibition of MIP1alpha-induced chemotaxis
Measurement: IC50 = 1.8 nM (pChEMBL 8.739999771118164)
Descriptors: MW 457.01, ALogP 4.17, HBA 3, HBD 2, PSA 69.64, QED 0.68
Compound (SMILES): CC(C)[C@@H](NC(=O)CCc1ccccc1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1
InChIKey: LOMPLSSQNJEILH-SQHAQQRYSA-N
Target: C-C chemokine receptor type 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P32246
Assay: Binding affinity to human CCR1
Measurement: IC50 = 5.8 nM (pChEMBL 8.239999771118164)
Descriptors: MW 471.04, ALogP 4.56, HBA 3, HBD 2, PSA 69.64, QED 0.62
Compound (SMILES): CC(C)[C@@H](NC(=O)CCCc1ccccc1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1
InChIKey: PGYPKUWWIBPENR-NAKRPHOHSA-N
Target: C-C chemokine receptor type 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P32246
Assay: Binding affinity to human CCR1
Measurement: IC50 = 1.7 nM (pChEMBL 8.770000457763672)
Descriptors: MW 485.07, ALogP 4.95, HBA 3, HBD 2, PSA 69.64, QED 0.56
Compound (SMILES): CC(=O)N[C@@H](C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1)C(C)C
InChIKey: UCVMUNOGYXEBNW-XLIONFOSSA-N
Target: C-C chemokine receptor type 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P32246
Assay: Antagonist activity at human CCR1 assessed as inhibition of MIP1alpha-induced chemotaxis
Measurement: IC50 = 15 nM (pChEMBL 7.820000171661377)
Descriptors: MW 380.92, ALogP 2.95, HBA 3, HBD 2, PSA 69.64, QED 0.84
Compound (SMILES): CCC(=O)N[C@@H](C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1)C(C)C
InChIKey: LHSSZZAGXBPDFN-NQIIRXRSSA-N
Target: C-C chemokine receptor type 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P32246
Assay: Antagonist activity at human CCR1 assessed as inhibition of MIP1alpha-induced chemotaxis
Measurement: IC50 = 3.6 nM (pChEMBL 8.4399995803833)
Descriptors: MW 394.94, ALogP 3.34, HBA 3, HBD 2, PSA 69.64, QED 0.8
Compound (SMILES): CC(C)C(=O)N[C@@H](C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1)C(C)C
InChIKey: FGINUFONAYNOSW-GCJKJVERSA-N
Target: C-C chemokine receptor type 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P32246
Assay: Antagonist activity at human CCR1 assessed as inhibition of MIP1alpha-induced chemotaxis
Measurement: IC50 = 4.4 nM (pChEMBL 8.359999656677246)
Descriptors: MW 408.97, ALogP 3.58, HBA 3, HBD 2, PSA 69.64, QED 0.78
Compound (SMILES): CC(C)CC(=O)N[C@@H](C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1)C(C)C
InChIKey: RSEPHLOGMONLPT-OFNKIYASSA-N
Target: C-C chemokine receptor type 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P32246
Assay: Antagonist activity at human CCR1 assessed as inhibition of MIP1alpha-induced chemotaxis
Measurement: IC50 = 1.9 nM (pChEMBL 8.720000267028809)
Descriptors: MW 423, ALogP 3.97, HBA 3, HBD 2, PSA 69.64, QED 0.73
Compound (SMILES): CC(C)CCC(=O)N[C@@H](C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1)C(C)C
InChIKey: XWTWRWKVFIVGCL-QPPBQGQZSA-N
Target: C-C chemokine receptor type 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P32246
Assay: Antagonist activity at human CCR1 assessed as inhibition of MIP1alpha-induced chemotaxis
Measurement: IC50 = 1.2 nM (pChEMBL 8.920000076293945)
Descriptors: MW 437.02, ALogP 4.36, HBA 3, HBD 2, PSA 69.64, QED 0.67
Compound (SMILES): CC(C)[C@@H](NC(=O)C1CC1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1
InChIKey: PWRSOFAFQFFYGO-GCJKJVERSA-N
Target: C-C chemokine receptor type 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P32246
Assay: Binding affinity to human CCR1
Measurement: IC50 = 3 nM (pChEMBL 8.520000457763672)
Descriptors: MW 406.95, ALogP 3.34, HBA 3, HBD 2, PSA 69.64, QED 0.79
Compound (SMILES): CC(C)[C@@H](NC(=O)C1CCC1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1
InChIKey: GSPOJTXAPGNOFQ-XXBNENTESA-N
Target: C-C chemokine receptor type 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P32246
Assay: Binding affinity to human CCR1
Measurement: IC50 = 1.8 nM (pChEMBL 8.739999771118164)
Descriptors: MW 420.98, ALogP 3.73, HBA 3, HBD 2, PSA 69.64, QED 0.76
Compound (SMILES): CC(C)[C@@H](NC(=O)C1CCCC1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1
InChIKey: UTGYFIZUYRNNRM-YKSBVNFPSA-N
Target: C-C chemokine receptor type 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P32246
Assay: Antagonist activity at human CCR1 assessed as inhibition of MIP1alpha-induced chemotaxis
Measurement: IC50 = 2.5 nM (pChEMBL 8.600000381469727)
Descriptors: MW 435.01, ALogP 4.12, HBA 3, HBD 2, PSA 69.64, QED 0.73
Compound (SMILES): CC(C)[C@@H](NC(=O)C1CCCCC1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1
InChIKey: NIIMLYKZECDRMG-BWKNWUBXSA-N
Target: C-C chemokine receptor type 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P32246
Assay: Binding affinity to human CCR1
Measurement: IC50 = 2.2 nM (pChEMBL 8.65999984741211)
Descriptors: MW 449.04, ALogP 4.51, HBA 3, HBD 2, PSA 69.64, QED 0.7
Compound (SMILES): CC(C)[C@@H](NC(=O)CC12CC3CC(CC(C3)C1)C2)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1
InChIKey: WFTLSXLLNZBMFE-ILOIYDBLSA-N
Target: C-C chemokine receptor type 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P32246
Assay: Binding affinity to human CCR1
Measurement: IC50 = 2.6 nM (pChEMBL 8.59000015258789)
Descriptors: MW 515.14, ALogP 5.53, HBA 3, HBD 2, PSA 69.64, QED 0.52
Compound (SMILES): CC(C)[C@@H](NC(=O)C1CCCC1(O)CCN1CCOCC1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1
InChIKey: OMZHQMWNDIUGLA-PDMXUHPJSA-N
Target: C-C chemokine receptor type 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P32246
Assay: Antagonist activity at human CCR1 assessed as inhibition of MIP1alpha-induced chemotaxis
Measurement: IC50 = 8.3 nM (pChEMBL 8.079999923706055)
Descriptors: MW 564.17, ALogP 3.18, HBA 6, HBD 3, PSA 102.34, QED 0.45
Compound (SMILES): CC(C)[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)N1CC[C@@](O)(c2ccc(Cl)cc2)C(C)(C)C1
InChIKey: QLXWINXJQONIRY-PXDATVDWSA-N
Target: C-C chemokine receptor type 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P32246
Assay: Binding affinity to human CCR1
Measurement: IC50 = 1800 nM (pChEMBL 5.75)
Descriptors: MW 477.43, ALogP 4.89, HBA 3, HBD 2, PSA 69.64, QED 0.64
Compound (SMILES): CO[C@]1(c2ccc(Cl)cc2)CCN(C(=O)[C@H](NC(=O)c2ccc(Cl)cc2)C(C)C)CC1(C)C
InChIKey: UJEHKZGGYAFRPX-GJZUVCINSA-N
Target: C-C chemokine receptor type 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P32246
Assay: Binding affinity to human CCR1
Measurement: IC50 = 25000 nM (pChEMBL 4.599999904632568)
Descriptors: MW 491.46, ALogP 5.55, HBA 3, HBD 1, PSA 58.64, QED 0.58
Compound (SMILES): CC(C)[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)N1CC[C@](N)(c2ccc(Cl)cc2)C(C)(C)C1
InChIKey: KVMLOEVFDVIUIY-BWKNWUBXSA-N
Target: C-C chemokine receptor type 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P32246
Assay: Binding affinity to human CCR1
Measurement: IC50 = 196 nM (pChEMBL 6.710000038146973)
Descriptors: MW 476.45, ALogP 4.86, HBA 3, HBD 2, PSA 75.43, QED 0.65
Compound (SMILES): CC(=O)N[C@]1(c2ccc(Cl)cc2)CCN(C(=O)[C@H](NC(=O)c2ccc(Cl)cc2)C(C)C)CC1(C)C
InChIKey: CNSUJCFAXKWWJD-KCWPFWIISA-N
Target: C-C chemokine receptor type 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P32246
Assay: Binding affinity to human CCR1
Measurement: IC50 > 8333 nM (pChEMBL 5.078999996185303)
Descriptors: MW 518.49, ALogP 5.04, HBA 3, HBD 2, PSA 78.51, QED 0.56
Compound (SMILES): CN[C@]1(c2ccc(Cl)cc2)CCN(C(=O)[C@H](NC(=O)c2ccc(Cl)cc2)C(C)C)CC1(C)C
InChIKey: PWERPADDFGJDND-GJZUVCINSA-N
Target: C-C chemokine receptor type 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P32246
Assay: Binding affinity to human CCR1
Measurement: IC50 > 8333 nM (pChEMBL 5.078999996185303)
Descriptors: MW 490.48, ALogP 5.12, HBA 3, HBD 2, PSA 61.44, QED 0.59
Compound (SMILES): CC(C)[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)N1CC[C@@](c2ccc(Cl)cc2)(N(C)C)C(C)(C)C1
InChIKey: ZHKTTWXMVJEZDY-KCWPFWIISA-N
Target: C-C chemokine receptor type 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P32246
Assay: Binding affinity to human CCR1
Measurement: IC50 > 8333 nM (pChEMBL 5.078999996185303)
Descriptors: MW 504.5, ALogP 5.46, HBA 3, HBD 1, PSA 52.65, QED 0.57
Compound (SMILES): CC(C)[C@@H](NC(=O)c1cccnc1)C(=O)N1CC[C@H](c2ccc(Cl)cc2)C(C)(C)C1
InChIKey: MZZVGANHQUEBCM-NHCUHLMSSA-N
Target: C-C chemokine receptor type 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P32246
Assay: Antagonist activity at human CCR1 assessed as inhibition of MIP1alpha-induced chemotaxis
Measurement: IC50 = 29 nM (pChEMBL 7.539999961853027)
Descriptors: MW 427.98, ALogP 4.53, HBA 3, HBD 1, PSA 62.3, QED 0.76
Compound (SMILES): CC(C)[C@@H](NC(=O)C1CCCC1)C(=O)N1CCN(c2ccc(Cl)cc2)C(C)(C)C1
InChIKey: AHKAIGXAFJEQRP-HXUWFJFHSA-N
Target: C-C chemokine receptor type 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P32246
Assay: Antagonist activity at human CCR1 assessed as inhibition of MIP1alpha-induced chemotaxis
Measurement: IC50 = 18 nM (pChEMBL 7.75)
Descriptors: MW 420, ALogP 4.1, HBA 3, HBD 1, PSA 52.65, QED 0.78
Compound (SMILES): CC(C)[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)N1CCC(O)(c2ccc(Cl)cc2)C2(CCCC2)C1
InChIKey: GJSGBPYYGLJSFJ-BRIWLPCBSA-N
Target: C-C chemokine receptor type 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P32246
Assay: Binding affinity to human CCR1
Measurement: IC50 = 208 nM (pChEMBL 6.679999828338623)
Descriptors: MW 503.47, ALogP 5.43, HBA 3, HBD 2, PSA 69.64, QED 0.57
Compound (SMILES): CC(C)[C@H](CN1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1)NC(=O)c1ccccc1
InChIKey: WQSNCGDBFJDDDI-DHLKQENFSA-N
Target: C-C chemokine receptor type 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P32246
Assay: Binding affinity to human CCR1
Measurement: IC50 = 2240 nM (pChEMBL 5.650000095367432)
Descriptors: MW 429, ALogP 4.71, HBA 3, HBD 2, PSA 52.57, QED 0.7
Compound (SMILES): CC(C)[C@@H](NC(=O)c1ccccc1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1
InChIKey: QOLZTUJZIFZTTF-BWKNWUBXSA-N
Target: C-C chemokine receptor type 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P32246
Assay: Antagonist activity at human CCR1 assessed as inhibition of MIP1alpha-induced chemotaxis
Measurement: IC50 = 10 nM (pChEMBL 8)
Descriptors: MW 442.99, ALogP 4.24, HBA 3, HBD 2, PSA 69.64, QED 0.73
Compound (SMILES): CC(C)[C@@H](NC(=O)c1ccc(F)c(O)c1)C(=O)N1CCC(c2ccc(Cl)cc2)CC1
InChIKey: UXSRMTHSJBDFOX-OAQYLSRUSA-N
Target: C-C chemokine receptor type 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P32246
Assay: Antagonist activity at human CCR1 assessed as inhibition of MIP1alpha-induced chemotaxis
Measurement: IC50 = 48 nM (pChEMBL 7.320000171661377)
Descriptors: MW 432.92, ALogP 4.35, HBA 3, HBD 2, PSA 69.64, QED 0.74
Compound (SMILES): CC(C)[C@@H](NC(=O)c1ccc(F)c(O)c1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1
InChIKey: CYPOGFLXGPFVCU-BWKNWUBXSA-N
Target: C-C chemokine receptor type 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P32246
Assay: Antagonist activity at human CCR1 assessed as inhibition of MIP1alpha-induced chemotaxis
Measurement: IC50 = 13 nM (pChEMBL 7.889999866485596)
Descriptors: MW 476.98, ALogP 4.09, HBA 4, HBD 3, PSA 89.87, QED 0.61
Compound (SMILES): CC(C)[C@@H](NC(=O)c1cccc(-c2ccccc2NC(N)=O)c1)C(=O)N1CCC(c2ccc(Cl)cc2)CC1
InChIKey: BGQANBMREYYRKA-HHHXNRCGSA-N
Target: C-C chemokine receptor type 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P32246
Assay: Antagonist activity at human CCR1 assessed as inhibition of MIP1alpha-induced chemotaxis
Measurement: IC50 = 153 nM (pChEMBL 6.820000171661377)
Descriptors: MW 533.07, ALogP 5.66, HBA 3, HBD 3, PSA 104.53, QED 0.37
Compound (SMILES): CC(C)[C@@H](NC(=O)c1cccc(-c2ccccc2NC(N)=O)c1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1
InChIKey: BMFZCZDBDSWUET-ZUKKLESISA-N
Target: C-C chemokine receptor type 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P32246
Assay: Antagonist activity at human CCR1 assessed as inhibition of MIP1alpha-induced chemotaxis
Measurement: IC50 = 48 nM (pChEMBL 7.320000171661377)
Descriptors: MW 577.13, ALogP 5.4, HBA 4, HBD 4, PSA 124.76, QED 0.3