lovingscience/chembl-v37-raw-activities huggingface dataset:
Compound (SMILES): COc1ccccc1O[C@H](c1ccccc1)[C@@H]1CCNC1
InChIKey: WDFMVSDPRALOJK-CRAIPNDOSA-N
Target: Sodium-dependent serotonin transporter (SINGLE PROTEIN), Homo sapiens
UniProt: P31645
Assay: Inhibition of human recombinant SERT expressed in HEK293 cells assessed as inhibition of [3H]5HT reuptake
Measurement: IC50 = 100 nM (pChEMBL 7)
Descriptors: MW 283.37, ALogP 3.42, HBA 3, HBD 1, PSA 30.49, QED 0.91
Compound (SMILES): COc1ccccc1O[C@H](c1ccccc1)[C@H]1CCNC1
InChIKey: WDFMVSDPRALOJK-MAUKXSAKSA-N
Target: Sodium-dependent serotonin transporter (SINGLE PROTEIN), Homo sapiens
UniProt: P31645
Assay: Inhibition of human recombinant SERT expressed in HEK293 cells assessed as inhibition of [3H]5HT reuptake
Measurement: IC50 = 158.49 nM (pChEMBL 6.800000190734863)
Descriptors: MW 283.37, ALogP 3.42, HBA 3, HBD 1, PSA 30.49, QED 0.91
Compound (SMILES): COc1ccccc1O[C@@H](c1ccccc1)[C@@H]1CCNC1
InChIKey: WDFMVSDPRALOJK-QAPCUYQASA-N
Target: Sodium-dependent serotonin transporter (SINGLE PROTEIN), Homo sapiens
UniProt: P31645
Assay: Inhibition of human recombinant SERT expressed in HEK293 cells assessed as inhibition of [3H]5HT reuptake
Measurement: IC50 = 125.89 nM (pChEMBL 6.900000095367432)
Descriptors: MW 283.37, ALogP 3.42, HBA 3, HBD 1, PSA 30.49, QED 0.91
Compound (SMILES): Cc1ccccc1O[C@@H](c1ccccc1)[C@H]1CCNC1
InChIKey: YHCLEHAMAKETBI-WMZOPIPTSA-N
Target: Sodium-dependent serotonin transporter (SINGLE PROTEIN), Homo sapiens
UniProt: P31645
Assay: Inhibition of human recombinant SERT expressed in HEK293 cells assessed as inhibition of [3H]5HT reuptake
Measurement: IC50 = 63.1 nM (pChEMBL 7.199999809265137)
Descriptors: MW 267.37, ALogP 3.72, HBA 2, HBD 1, PSA 21.26, QED 0.91
Compound (SMILES): Cc1ccccc1O[C@H](c1ccccc1)[C@@H]1CCNC1
InChIKey: YHCLEHAMAKETBI-SJLPKXTDSA-N
Target: Sodium-dependent serotonin transporter (SINGLE PROTEIN), Homo sapiens
UniProt: P31645
Assay: Inhibition of human recombinant SERT expressed in HEK293 cells assessed as inhibition of [3H]5HT reuptake
Measurement: IC50 = 12.59 nM (pChEMBL 7.900000095367432)
Descriptors: MW 267.37, ALogP 3.72, HBA 2, HBD 1, PSA 21.26, QED 0.91
Compound (SMILES): Clc1ccccc1O[C@@H](c1ccccc1)[C@H]1CCNC1
InChIKey: KBLODNDMWLXBEK-YOEHRIQHSA-N
Target: Sodium-dependent serotonin transporter (SINGLE PROTEIN), Homo sapiens
UniProt: P31645
Assay: Inhibition of human recombinant SERT expressed in HEK293 cells assessed as inhibition of [3H]5HT reuptake
Measurement: IC50 = 125.89 nM (pChEMBL 6.900000095367432)
Descriptors: MW 287.79, ALogP 4.07, HBA 2, HBD 1, PSA 21.26, QED 0.92
Compound (SMILES): Clc1ccccc1O[C@H](c1ccccc1)[C@@H]1CCNC1
InChIKey: KBLODNDMWLXBEK-RHSMWYFYSA-N
Target: Sodium-dependent serotonin transporter (SINGLE PROTEIN), Homo sapiens
UniProt: P31645
Assay: Inhibition of human recombinant SERT expressed in HEK293 cells assessed as inhibition of [3H]5HT reuptake
Measurement: IC50 = 3.981 nM (pChEMBL 8.399999618530273)
Descriptors: MW 287.79, ALogP 4.07, HBA 2, HBD 1, PSA 21.26, QED 0.92
Compound (SMILES): Clc1cccc(O[C@@H](c2ccccc2)[C@H]2CCNC2)c1
InChIKey: UUSPTDRDECONSP-YOEHRIQHSA-N
Target: Sodium-dependent serotonin transporter (SINGLE PROTEIN), Homo sapiens
UniProt: P31645
Assay: Inhibition of human recombinant SERT expressed in HEK293 cells assessed as inhibition of [3H]5HT reuptake
Measurement: IC50 = 31.62 nM (pChEMBL 7.5)
Descriptors: MW 287.79, ALogP 4.07, HBA 2, HBD 1, PSA 21.26, QED 0.92
Compound (SMILES): Clc1cccc(O[C@H](c2ccccc2)[C@@H]2CCNC2)c1
InChIKey: UUSPTDRDECONSP-RHSMWYFYSA-N
Target: Sodium-dependent serotonin transporter (SINGLE PROTEIN), Homo sapiens
UniProt: P31645
Assay: Inhibition of human recombinant SERT expressed in HEK293 cells assessed as inhibition of [3H]5HT reuptake
Measurement: IC50 = 2.512 nM (pChEMBL 8.600000381469727)
Descriptors: MW 287.79, ALogP 4.07, HBA 2, HBD 1, PSA 21.26, QED 0.92
Compound (SMILES): Clc1ccc(O[C@@H](c2ccccc2)[C@H]2CCNC2)cc1
InChIKey: FDZMWAFQMOJQFO-YOEHRIQHSA-N
Target: Sodium-dependent serotonin transporter (SINGLE PROTEIN), Homo sapiens
UniProt: P31645
Assay: Inhibition of human recombinant SERT expressed in HEK293 cells assessed as inhibition of [3H]5HT reuptake
Measurement: IC50 = 7.943 nM (pChEMBL 8.100000381469727)
Descriptors: MW 287.79, ALogP 4.07, HBA 2, HBD 1, PSA 21.26, QED 0.92
Compound (SMILES): Clc1ccc(O[C@H](c2ccccc2)[C@@H]2CCNC2)cc1
InChIKey: FDZMWAFQMOJQFO-RHSMWYFYSA-N
Target: Sodium-dependent serotonin transporter (SINGLE PROTEIN), Homo sapiens
UniProt: P31645
Assay: Inhibition of human recombinant SERT expressed in HEK293 cells assessed as inhibition of [3H]5HT reuptake
Measurement: IC50 = 1.259 nM (pChEMBL 8.899999618530273)
Descriptors: MW 287.79, ALogP 4.07, HBA 2, HBD 1, PSA 21.26, QED 0.92
Compound (SMILES): Fc1ccccc1O[C@H](c1ccccc1)[C@@H]1CCNC1
InChIKey: NCBYCBRHLYXVNZ-RHSMWYFYSA-N
Target: Sodium-dependent serotonin transporter (SINGLE PROTEIN), Homo sapiens
UniProt: P31645
Assay: Inhibition of human recombinant SERT expressed in HEK293 cells assessed as inhibition of [3H]5HT reuptake
Measurement: IC50 = 19.95 nM (pChEMBL 7.699999809265137)
Descriptors: MW 271.33, ALogP 3.56, HBA 2, HBD 1, PSA 21.26, QED 0.92
Compound (SMILES): N#Cc1cccc(O[C@H](c2ccccc2)[C@@H]2CCNC2)c1
InChIKey: YVEIFDFSCWTJRT-SJLPKXTDSA-N
Target: Sodium-dependent serotonin transporter (SINGLE PROTEIN), Homo sapiens
UniProt: P31645
Assay: Inhibition of human recombinant SERT expressed in HEK293 cells assessed as inhibition of [3H]5HT reuptake
Measurement: IC50 = 0.631 nM (pChEMBL 9.199999809265137)
Descriptors: MW 278.36, ALogP 3.29, HBA 3, HBD 1, PSA 45.05, QED 0.93
Compound (SMILES): FC(F)(F)c1ccc(O[C@H](c2ccccc2)[C@H]2CCNC2)cc1
InChIKey: LVUBCLOONUNZAC-WMLDXEAASA-N
Target: Sodium-dependent serotonin transporter (SINGLE PROTEIN), Homo sapiens
UniProt: P31645
Assay: Inhibition of human recombinant SERT expressed in HEK293 cells assessed as inhibition of [3H]5HT reuptake
Measurement: IC50 = 1.995 nM (pChEMBL 8.699999809265137)
Descriptors: MW 321.34, ALogP 4.44, HBA 2, HBD 1, PSA 21.26, QED 0.9
Compound (SMILES): O=[N+]([O-])c1ccccc1O[C@H](c1ccccc1)[C@@H]1CCNC1
InChIKey: RRGCJEHCXSKPFY-RHSMWYFYSA-N
Target: Sodium-dependent serotonin transporter (SINGLE PROTEIN), Homo sapiens
UniProt: P31645
Assay: Inhibition of human recombinant SERT expressed in HEK293 cells assessed as inhibition of [3H]5HT reuptake
Measurement: IC50 = 63.1 nM (pChEMBL 7.199999809265137)
Descriptors: MW 298.34, ALogP 3.32, HBA 4, HBD 1, PSA 64.4, QED 0.68
Compound (SMILES): Clc1cccc(O[C@@H](c2ccccc2)[C@H]2CCNC2)c1Cl
InChIKey: MCHVXQNUHBOZIA-GUYCJALGSA-N
Target: Sodium-dependent serotonin transporter (SINGLE PROTEIN), Homo sapiens
UniProt: P31645
Assay: Inhibition of human recombinant SERT expressed in HEK293 cells assessed as inhibition of [3H]5HT reuptake
Measurement: IC50 = 10 nM (pChEMBL 8)
Descriptors: MW 322.24, ALogP 4.72, HBA 2, HBD 1, PSA 21.26, QED 0.88
Compound (SMILES): Clc1cccc(O[C@H](c2ccccc2)[C@@H]2CCNC2)c1Cl
InChIKey: MCHVXQNUHBOZIA-CXAGYDPISA-N
Target: Sodium-dependent serotonin transporter (SINGLE PROTEIN), Homo sapiens
UniProt: P31645
Assay: Inhibition of human recombinant SERT expressed in HEK293 cells assessed as inhibition of [3H]5HT reuptake
Measurement: IC50 = 0.7943 nM (pChEMBL 9.100000381469727)
Descriptors: MW 322.24, ALogP 4.72, HBA 2, HBD 1, PSA 21.26, QED 0.88
Compound (SMILES): Clc1ccc(O[C@@H](c2ccccc2)[C@H]2CCNC2)c(Cl)c1
InChIKey: DRRQCYGCMNHHQK-GUYCJALGSA-N
Target: Sodium-dependent serotonin transporter (SINGLE PROTEIN), Homo sapiens
UniProt: P31645
Assay: Inhibition of human recombinant SERT expressed in HEK293 cells assessed as inhibition of [3H]5HT reuptake
Measurement: IC50 = 3.162 nM (pChEMBL 8.5)
Descriptors: MW 322.24, ALogP 4.72, HBA 2, HBD 1, PSA 21.26, QED 0.88
Compound (SMILES): Clc1cccc(Cl)c1O[C@@H](c1ccccc1)[C@H]1CCNC1
InChIKey: URVPSAOJVKMKND-BBRMVZONSA-N
Target: Sodium-dependent serotonin transporter (SINGLE PROTEIN), Homo sapiens
UniProt: P31645
Assay: Inhibition of human recombinant SERT expressed in HEK293 cells assessed as inhibition of [3H]5HT reuptake
Measurement: IC50 = 10 nM (pChEMBL 8)
Descriptors: MW 322.24, ALogP 4.72, HBA 2, HBD 1, PSA 21.26, QED 0.88
Compound (SMILES): Clc1cccc(Cl)c1O[C@H](c1ccccc1)[C@@H]1CCNC1
InChIKey: URVPSAOJVKMKND-CZUORRHYSA-N
Target: Sodium-dependent serotonin transporter (SINGLE PROTEIN), Homo sapiens
UniProt: P31645
Assay: Inhibition of human recombinant SERT expressed in HEK293 cells assessed as inhibition of [3H]5HT reuptake
Measurement: IC50 = 39.81 nM (pChEMBL 7.400000095367432)
Descriptors: MW 322.24, ALogP 4.72, HBA 2, HBD 1, PSA 21.26, QED 0.88
Compound (SMILES): Clc1cc(Cl)cc(O[C@@H](c2ccccc2)[C@H]2CCNC2)c1
InChIKey: MJNJOFYBUSUCSO-GUYCJALGSA-N
Target: Sodium-dependent serotonin transporter (SINGLE PROTEIN), Homo sapiens
UniProt: P31645
Assay: Inhibition of human recombinant SERT expressed in HEK293 cells assessed as inhibition of [3H]5HT reuptake
Measurement: IC50 = 6.31 nM (pChEMBL 8.199999809265137)
Descriptors: MW 322.24, ALogP 4.72, HBA 2, HBD 1, PSA 21.26, QED 0.88
Compound (SMILES): Clc1cc(Cl)cc(O[C@H](c2ccccc2)[C@@H]2CCNC2)c1
InChIKey: MJNJOFYBUSUCSO-CXAGYDPISA-N
Target: Sodium-dependent serotonin transporter (SINGLE PROTEIN), Homo sapiens
UniProt: P31645
Assay: Inhibition of human recombinant SERT expressed in HEK293 cells assessed as inhibition of [3H]5HT reuptake
Measurement: IC50 = 0.7943 nM (pChEMBL 9.100000381469727)
Descriptors: MW 322.24, ALogP 4.72, HBA 2, HBD 1, PSA 21.26, QED 0.88
Compound (SMILES): CCOC(=O)C(=O)N(Cc1ccccc1)c1ccc2c(c1)O[C@H](COc1ccc(C(=N)N)cc1)CO2.O=C(O)C(F)(F)F
InChIKey: XUZFUNHRJUCLPQ-VZYDHVRKSA-N
Target: Coagulation factor X (SINGLE PROTEIN), Homo sapiens
UniProt: P00742
Assay: Inhibition of factor 10a (unknown origin) using S-2222 as substrate preincubated with enzyme for 15 mins prior to substrate addition measured every 10 s by amidolytic method
Measurement: Ki = 637 nM (pChEMBL 6.199999809265137)
Descriptors: MW 489.53, ALogP 3.29, HBA 7, HBD 2, PSA 124.17, QED 0.22
Compound (SMILES): CCOC(=O)C(=O)N(Cc1ccccc1)c1ccc2c(c1)O[C@@H](COc1ccc(C(=N)N)cc1)CO2.O=C(O)C(F)(F)F
InChIKey: XUZFUNHRJUCLPQ-FTBISJDPSA-N
Target: Coagulation factor X (SINGLE PROTEIN), Homo sapiens
UniProt: P00742
Assay: Inhibition of factor 10a (unknown origin) using S-2222 as substrate preincubated with enzyme for 15 mins prior to substrate addition measured every 10 s by amidolytic method
Measurement: Ki = 2700 nM (pChEMBL 5.570000171661377)
Descriptors: MW 489.53, ALogP 3.29, HBA 7, HBD 2, PSA 124.17, QED 0.22
Compound (SMILES): N=C(N)c1ccc(OC[C@@H]2COc3cc(N(Cc4ccccc4)C(=O)C(=O)O)ccc3O2)cc1
InChIKey: CACQVXQRLSNTQI-HXUWFJFHSA-N
Target: Integrin alpha-IIb/beta-3 (PROTEIN COMPLEX), Homo sapiens
UniProt: P08514
Assay: Inhibition of biotinylated fibrinogen binding to human GP 2b/3a after 2 hrs by solid-phase competitive displacement assay
Measurement: IC50 = 1210 nM (pChEMBL 5.920000076293945)
Descriptors: MW 461.47, ALogP 2.81, HBA 6, HBD 3, PSA 135.17, QED 0.28
Compound (SMILES): N=C(N)c1ccc(OC[C@H]2COc3cc(N(Cc4ccccc4)C(=O)C(=O)O)ccc3O2)cc1
InChIKey: CACQVXQRLSNTQI-FQEVSTJZSA-N
Target: Integrin alpha-IIb/beta-3 (PROTEIN COMPLEX), Homo sapiens
UniProt: P08514
Assay: Inhibition of biotinylated fibrinogen binding to human GP 2b/3a after 2 hrs by solid-phase competitive displacement assay
Measurement: IC50 = 665 nM (pChEMBL 6.179999828338623)
Descriptors: MW 461.47, ALogP 2.81, HBA 6, HBD 3, PSA 135.17, QED 0.28
Compound (SMILES): N=C(N)c1ccc(OC[C@@H]2COc3ccc(N(Cc4ccccc4)C(=O)C(=O)O)cc3O2)cc1
InChIKey: WINLUFCVTCWULP-HXUWFJFHSA-N
Target: Integrin alpha-IIb/beta-3 (PROTEIN COMPLEX), Homo sapiens
UniProt: P08514
Assay: Inhibition of biotinylated fibrinogen binding to human GP 2b/3a after 2 hrs by solid-phase competitive displacement assay
Measurement: IC50 = 17600 nM (pChEMBL 4.75)
Descriptors: MW 461.47, ALogP 2.81, HBA 6, HBD 3, PSA 135.17, QED 0.28
Compound (SMILES): N=C(N)c1ccc(OC[C@H]2COc3ccc(N(Cc4ccccc4)C(=O)C(=O)O)cc3O2)cc1
InChIKey: WINLUFCVTCWULP-FQEVSTJZSA-N
Target: Integrin alpha-IIb/beta-3 (PROTEIN COMPLEX), Homo sapiens
UniProt: P08514
Assay: Inhibition of biotinylated fibrinogen binding to human GP 2b/3a after 2 hrs by solid-phase competitive displacement assay
Measurement: IC50 = 42600 nM (pChEMBL 4.369999885559082)
Descriptors: MW 461.47, ALogP 2.81, HBA 6, HBD 3, PSA 135.17, QED 0.28
Compound (SMILES): CCOC(=O)C(=O)N(Cc1ccccc1)c1ccc2c(c1)OC[C@@H](COc1ccc(C(=N)N)cc1)O2.O=C(O)C(F)(F)F
InChIKey: GMMJRDKTZREEJG-VZYDHVRKSA-N
Target: Coagulation factor X (SINGLE PROTEIN), Homo sapiens
UniProt: P00742
Assay: Inhibition of factor 10a (unknown origin) using S-2222 as substrate preincubated with enzyme for 15 mins prior to substrate addition measured every 10 s by amidolytic method
Measurement: Ki = 2150 nM (pChEMBL 5.670000076293945)
Descriptors: MW 489.53, ALogP 3.29, HBA 7, HBD 2, PSA 124.17, QED 0.22
Compound (SMILES): CCOC(=O)C(=O)N(Cc1ccccc1)c1ccc2c(c1)OC[C@H](COc1ccc(C(=N)N)cc1)O2.O=C(O)C(F)(F)F
InChIKey: GMMJRDKTZREEJG-FTBISJDPSA-N
Target: Coagulation factor X (SINGLE PROTEIN), Homo sapiens
UniProt: P00742
Assay: Inhibition of factor 10a (unknown origin) using S-2222 as substrate preincubated with enzyme for 15 mins prior to substrate addition measured every 10 s by amidolytic method
Measurement: Ki = 1510 nM (pChEMBL 5.820000171661377)
Descriptors: MW 489.53, ALogP 3.29, HBA 7, HBD 2, PSA 124.17, QED 0.22
Compound (SMILES): CCCCc1c[n+](Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)c(CO)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1.[Br-]
InChIKey: BQSGXNWTTKZZRO-UHFFFAOYSA-M
Target: Type-1 angiotensin II receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P30556
Assay: Displacement of [125I-Sar1-Ile8]-ANG2 from human Angiotensin 2 type-1 receptor expressed in HEK293 cells after 1 hr by gamma counting analysis
Measurement: IC50 = 4.266 nM (pChEMBL 8.369999885559082)
Descriptors: MW 623.74, ALogP 5.4, HBA 8, HBD 3, PSA 137.96, QED 0.15
Compound (SMILES): CCCCc1c(Cl)[n+](Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)cn1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1.[Br-]
InChIKey: JJTDADRHYCCKFZ-UHFFFAOYSA-M
Target: Type-1 angiotensin II receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P30556
Assay: Displacement of [125I-Sar1-Ile8]-ANG2 from human Angiotensin 2 type-1 receptor expressed in HEK293 cells after 1 hr by gamma counting analysis
Measurement: IC50 = 831.76 nM (pChEMBL 6.079999923706055)
Descriptors: MW 628.16, ALogP 6.56, HBA 7, HBD 2, PSA 117.73, QED 0.16
Compound (SMILES): CCCCc1c(Br)[n+](Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)cn1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1.[Br-]
InChIKey: XWQVNEPEOYFGER-UHFFFAOYSA-M
Target: Type-1 angiotensin II receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P30556
Assay: Displacement of [125I-Sar1-Ile8]-ANG2 from human Angiotensin 2 type-1 receptor expressed in HEK293 cells after 1 hr by gamma counting analysis
Measurement: IC50 = 707.95 nM (pChEMBL 6.150000095367432)
Descriptors: MW 672.61, ALogP 6.67, HBA 7, HBD 2, PSA 117.73, QED 0.15
Compound (SMILES): CCCCc1c(Cl)[n+](Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)c(CO)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1.[Br-]
InChIKey: VGRHRSCYGKOACW-UHFFFAOYSA-M
Target: Type-1 angiotensin II receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P30556
Assay: Displacement of [125I-Sar1-Ile8]-ANG2 from human Angiotensin 2 type-1 receptor expressed in HEK293 cells after 1 hr by gamma counting analysis
Measurement: IC50 = 6456.54 nM (pChEMBL 5.190000057220459)
Descriptors: MW 658.19, ALogP 6.05, HBA 8, HBD 3, PSA 137.96, QED 0.14
Compound (SMILES): CCCCc1c(Br)[n+](Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)c(CO)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1.[Br-]
InChIKey: PSUNNSGJGVLAAX-UHFFFAOYSA-M
Target: Type-1 angiotensin II receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P30556
Assay: Displacement of [125I-Sar1-Ile8]-ANG2 from human Angiotensin 2 type-1 receptor expressed in HEK293 cells after 1 hr by gamma counting analysis
Measurement: IC50 = 42.66 nM (pChEMBL 7.369999885559082)
Descriptors: MW 702.64, ALogP 6.16, HBA 8, HBD 3, PSA 137.96, QED 0.13
Compound (SMILES): CCCCc1n(Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)cc[n+]1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1.[Br-]
InChIKey: DKOWDYNVUNRFKN-UHFFFAOYSA-M
Target: Type-1 angiotensin II receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P30556
Assay: Displacement of [125I-Sar1-Ile8]-ANG2 from human Angiotensin 2 type-1 receptor expressed in HEK293 cells after 1 hr by gamma counting analysis
Measurement: IC50 = 1698.24 nM (pChEMBL 5.769999980926514)
Descriptors: MW 593.72, ALogP 5.91, HBA 7, HBD 2, PSA 117.73, QED 0.18
Compound (SMILES): CCCCc1n(Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)c(CO)c[n+]1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1.[Br-]
InChIKey: GUCZARQCBYKQEC-UHFFFAOYSA-M
Target: Type-1 angiotensin II receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P30556
Assay: Displacement of [125I-Sar1-Ile8]-ANG2 from human Angiotensin 2 type-1 receptor expressed in HEK293 cells after 1 hr by gamma counting analysis
Measurement: IC50 = 416.87 nM (pChEMBL 6.380000114440918)
Descriptors: MW 623.74, ALogP 5.4, HBA 8, HBD 3, PSA 137.96, QED 0.15
Compound (SMILES): CCCCc1c[n+](Cc2ccc(-c3ccccc3C(=O)O)cc2)cn1Cc1ccc(-c2ccccc2C(=O)O)cc1.[Br-]
InChIKey: SFZMJARFXJNVAD-UHFFFAOYSA-N
Target: Type-1 angiotensin II receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P30556
Assay: Displacement of [125I-Sar1-Ile8]-ANG2 from human Angiotensin 2 type-1 receptor expressed in HEK293 cells after 1 hr by gamma counting analysis
Measurement: IC50 = 331.13 nM (pChEMBL 6.480000019073486)
Descriptors: MW 545.66, ALogP 6.95, HBA 3, HBD 2, PSA 83.41, QED 0.18
Compound (SMILES): CCCCc1c[n+](Cc2ccc(-c3ccccc3C(=O)O)cc2)c(CO)n1Cc1ccc(-c2ccccc2C(=O)O)cc1.[Br-]
InChIKey: JCKRMUBYZJVCEC-UHFFFAOYSA-N
Target: Type-1 angiotensin II receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P30556
Assay: Displacement of [125I-Sar1-Ile8]-ANG2 from human Angiotensin 2 type-1 receptor expressed in HEK293 cells after 1 hr by gamma counting analysis
Measurement: IC50 = 501.19 nM (pChEMBL 6.300000190734863)
Descriptors: MW 575.69, ALogP 6.44, HBA 4, HBD 3, PSA 103.64, QED 0.15
Compound (SMILES): CCCCc1c[n+](Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)cn1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1.[Br-]
InChIKey: CGHJBWZXFDVHNV-UHFFFAOYSA-M
Target: Type-1 angiotensin II receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P30556
Assay: Displacement of [125I-Sar1-Ile8]-ANG2 from human Angiotensin 2 type-1 receptor expressed in HEK293 cells after 1 hr by gamma counting analysis
Measurement: IC50 = 0.3467 nM (pChEMBL 9.460000038146973)
Descriptors: MW 593.72, ALogP 5.91, HBA 7, HBD 2, PSA 117.73, QED 0.18
Compound (SMILES): CCCCc1c[n+](Cc2ccc(-c3ccccc3-c3nn[n-]n3)cc2)cn1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1.[Br-].[K+].[K+]
InChIKey: NKXVFQBLBTWSNR-UHFFFAOYSA-M
Target: Type-1 angiotensin II receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P30556
Assay: Displacement of [125I-Sar1-Ile8]-ANG2 from human Angiotensin 2 type-1 receptor expressed in HEK293 cells after 1 hr by gamma counting analysis
Measurement: IC50 = 0.912 nM (pChEMBL 9.039999961853027)
Descriptors: MW 592.71, ALogP 5.54, HBA 7, HBD 1, PSA 116.04, QED 0.2
Compound (SMILES): CCCCc1c[n+](Cc2ccc(-c3ccccc3-c3nn[n-]n3)cc2)cn1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1.[Br-].[Na+].[Na+]
InChIKey: KAQDGQZZYFFCGJ-UHFFFAOYSA-M
Target: Type-1 angiotensin II receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P30556
Assay: Displacement of [125I-Sar1-Ile8]-ANG2 from human Angiotensin 2 type-1 receptor expressed in HEK293 cells after 1 hr by gamma counting analysis
Measurement: IC50 = 2.884 nM (pChEMBL 8.539999961853027)
Descriptors: MW 592.71, ALogP 5.54, HBA 7, HBD 1, PSA 116.04, QED 0.2
Compound (SMILES): CC(C)CN(CC(=O)NO)S(=O)(=O)c1ccc(OCc2ccccc2)cc1
InChIKey: FGQTUBBIXYISNM-UHFFFAOYSA-N
Target: Interstitial collagenase (SINGLE PROTEIN), Homo sapiens
UniProt: P03956
Assay: Inhibition of human recombinant MMP1 using Mca-Lys-Pro- Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as substrate incubated for 2 hrs prior to substrate addition measured every 15 secs for 15 mins by fluorometric analysis
Measurement: IC50 > 5000 nM (pChEMBL 5.301000118255615)
Descriptors: MW 392.48, ALogP 2.42, HBA 5, HBD 2, PSA 95.94, QED 0.5
Compound (SMILES): O=C(CNS(=O)(=O)c1ccc(OCc2ccccc2)cc1)NO
InChIKey: ZVJILQAAQQNBOP-UHFFFAOYSA-N
Target: A disintegrin and metalloproteinase with thrombospondin motifs 5 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9UNA0
Assay: Inhibition of human recombinant ADAMTS5 using bovine nasal cartilage aggrecan as substrate assessed as inhibition of 1772-AGEG neuropeptide formation incubated for 2 hrs prior to substrate addition measured after 2 hrs by Western blot analysis
Measurement: Ki = 21000 nM (pChEMBL 4.679999828338623)
Descriptors: MW 336.37, ALogP 1.05, HBA 5, HBD 3, PSA 104.73, QED 0.52
Compound (SMILES): O=C(CCNS(=O)(=O)c1ccc(Oc2ccccc2)cc1)NO
InChIKey: UGRPRGWEEBXORM-UHFFFAOYSA-N
Target: Interstitial collagenase (SINGLE PROTEIN), Homo sapiens
UniProt: P03956
Assay: Inhibition of human recombinant MMP1 using Mca-Lys-Pro- Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as substrate incubated for 2 hrs prior to substrate addition measured every 15 secs for 15 mins by fluorometric analysis
Measurement: IC50 > 5000 nM (pChEMBL 5.301000118255615)
Descriptors: MW 336.37, ALogP 1.65, HBA 5, HBD 3, PSA 104.73, QED 0.53
Compound (SMILES): O=C(CNS(=O)(=O)c1ccc(Oc2ccccc2)nc1)NO
InChIKey: BTMSEVQRJBBBAY-UHFFFAOYSA-N
Target: Matrix metalloproteinase-14 (SINGLE PROTEIN), Homo sapiens
UniProt: P50281
Assay: Inhibition of human recombinant MMP14 catalytic domain using Mca-Lys-Pro- Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as substrate incubated for 2 hrs prior to substrate addition measured every 15 secs for 15 mins by fluorometric analysis
Measurement: IC50 = 24 nM (pChEMBL 7.619999885559082)
Descriptors: MW 323.33, ALogP 0.66, HBA 6, HBD 3, PSA 117.62, QED 0.53
Compound (SMILES): O=C(CNS(=O)(=O)c1ccc(OCc2ccc(F)cc2Cl)cc1)NO
InChIKey: CHTZMALPRVCUIK-UHFFFAOYSA-N
Target: Interstitial collagenase (SINGLE PROTEIN), Homo sapiens
UniProt: P03956
Assay: Inhibition of human recombinant MMP1 using Mca-Lys-Pro- Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as substrate incubated for 2 hrs prior to substrate addition measured every 15 secs for 15 mins by fluorometric analysis
Measurement: IC50 > 5000 nM (pChEMBL 5.301000118255615)
Descriptors: MW 388.8, ALogP 1.84, HBA 5, HBD 3, PSA 104.73, QED 0.5
Compound (SMILES): CCOC(=O)C1=CN(c2ccccc2OC)C=C(C(=O)OCC)C1c1ccc(Br)cc1
InChIKey: PSEPRNSNQBJIOW-UHFFFAOYSA-N
Target: 3',5'-cyclic-AMP phosphodiesterase 4B (SINGLE PROTEIN), Homo sapiens
UniProt: Q07343
Assay: Inhibition of recombinant His-tagged PDE4B (unknown origin) expressed in Sf9 cells using cAMP as substrate incubated for 15 mins prior to substrate addition measured after 1 hr by luminescence-based assay
Measurement: IC50 > 5000 nM (pChEMBL 5.301000118255615)
Descriptors: MW 486.36, ALogP 4.96, HBA 6, HBD 0, PSA 65.07, QED 0.52
Compound (SMILES): COc1cc(N2Cc3ccc(Sc4ccccc4)nc3C2=O)ccc1OCCN1CCCC1
InChIKey: PULOMQYOCPKDEH-UHFFFAOYSA-N
Target: Melanin-concentrating hormone receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99705
Assay: Displacement of Eu-MCH from human MCHR1 expressed in CHO cell membranes by TRF assay
Measurement: IC50 = 20 nM (pChEMBL 7.699999809265137)
Descriptors: MW 461.59, ALogP 4.88, HBA 6, HBD 0, PSA 54.9, QED 0.48
Compound (SMILES): COc1cc(N2Cc3ccc(Sc4ccc(F)cc4)nc3C2=O)ccc1OCCN1CCCC1
InChIKey: IOVNPTLMMFSPCO-UHFFFAOYSA-N
Target: Voltage-gated inwardly rectifying potassium channel KCNH2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q12809
Assay: Inhibition of human ERG
Measurement: IC50 = 25000 nM (pChEMBL 4.599999904632568)
Descriptors: MW 479.58, ALogP 5.02, HBA 6, HBD 0, PSA 54.9, QED 0.45
Compound (SMILES): COc1cc(N2Cc3ccc(Sc4ccc(Cl)cc4)nc3C2=O)ccc1OCCN1CCCC1
InChIKey: DKUIWKQMORELON-UHFFFAOYSA-N
Target: Melanin-concentrating hormone receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99705
Assay: Displacement of Eu-MCH from human MCHR1 expressed in CHO cell membranes by TRF assay
Measurement: IC50 = 40 nM (pChEMBL 7.400000095367432)
Descriptors: MW 496.03, ALogP 5.53, HBA 6, HBD 0, PSA 54.9, QED 0.41
Compound (SMILES): COc1cc(N2Cc3ccc(Sc4ccc(C)cc4)nc3C2=O)ccc1OCCN1CCCC1
InChIKey: DZWXUYGFPPWCNH-UHFFFAOYSA-N
Target: Melanin-concentrating hormone receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99705
Assay: Displacement of Eu-MCH from human MCHR1 expressed in CHO cell membranes by TRF assay
Measurement: IC50 = 60 nM (pChEMBL 7.21999979019165)
Descriptors: MW 475.61, ALogP 5.18, HBA 6, HBD 0, PSA 54.9, QED 0.45
Compound (SMILES): COc1ccc(Sc2ccc3c(n2)C(=O)N(c2ccc(OCCN4CCCC4)c(OC)c2)C3)cc1
InChIKey: WTJDUFFBUPWNBS-UHFFFAOYSA-N
Target: Melanin-concentrating hormone receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99705
Assay: Displacement of Eu-MCH from human MCHR1 expressed in CHO cell membranes by TRF assay
Measurement: IC50 = 100 nM (pChEMBL 7)
Descriptors: MW 491.61, ALogP 4.89, HBA 7, HBD 0, PSA 64.13, QED 0.42
Compound (SMILES): COc1cc(N2Cc3ccc(Sc4ccc(F)cc4F)nc3C2=O)ccc1OCCN1CCCC1
InChIKey: UNBPXABESFVUOS-UHFFFAOYSA-N
Target: Melanin-concentrating hormone receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99705
Assay: Displacement of Eu-MCH from human MCHR1 expressed in CHO cell membranes by TRF assay
Measurement: IC50 = 60 nM (pChEMBL 7.21999979019165)
Descriptors: MW 497.57, ALogP 5.15, HBA 6, HBD 0, PSA 54.9, QED 0.43
Compound (SMILES): COc1cc(N2Cc3ccc(Sc4ccc(F)c(F)c4)nc3C2=O)ccc1OCCN1CCCC1
InChIKey: DEALZFUFOAKPQB-UHFFFAOYSA-N
Target: Melanin-concentrating hormone receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99705
Assay: Displacement of Eu-MCH from human MCHR1 expressed in CHO cell membranes by TRF assay
Measurement: IC50 = 50 nM (pChEMBL 7.300000190734863)
Descriptors: MW 497.57, ALogP 5.15, HBA 6, HBD 0, PSA 54.9, QED 0.43
Compound (SMILES): COc1cc(N2Cc3ccc(Sc4ccc(F)cc4Cl)nc3C2=O)ccc1OCCN1CCCC1
InChIKey: YQHFYXVDVQMXEC-UHFFFAOYSA-N
Target: Melanin-concentrating hormone receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99705
Assay: Displacement of Eu-MCH from human MCHR1 expressed in CHO cell membranes by TRF assay
Measurement: IC50 = 80 nM (pChEMBL 7.099999904632568)
Descriptors: MW 514.02, ALogP 5.67, HBA 6, HBD 0, PSA 54.9, QED 0.39
Compound (SMILES): COc1cc(N2Cc3ccc(Sc4ccc(F)c(Cl)c4)nc3C2=O)ccc1OCCN1CCCC1
InChIKey: GERNDJBNTABEKN-UHFFFAOYSA-N
Target: Melanin-concentrating hormone receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99705
Assay: Displacement of Eu-MCH from human MCHR1 expressed in CHO cell membranes by TRF assay
Measurement: IC50 = 50 nM (pChEMBL 7.300000190734863)
Descriptors: MW 514.02, ALogP 5.67, HBA 6, HBD 0, PSA 54.9, QED 0.39
Compound (SMILES): COc1cc(N2Cc3ccc(-c4ccc(C(C)(C)C)cc4)nc3C2=O)ccc1OCCN1CCCC1
InChIKey: IQPCAZJPFXBSSX-UHFFFAOYSA-N
Target: Melanin-concentrating hormone receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99705
Assay: Displacement of Eu-MCH from human MCHR1 expressed in CHO cell membranes by TRF assay
Measurement: IC50 = 320 nM (pChEMBL 6.5)
Descriptors: MW 485.63, ALogP 5.69, HBA 5, HBD 0, PSA 54.9, QED 0.43
Compound (SMILES): COc1cc(N2Cc3ccc(-c4cccc(C)c4C)nc3C2=O)ccc1OCCN1CCCC1
InChIKey: ZPJQJEDPZUVWPZ-UHFFFAOYSA-N
Target: Melanin-concentrating hormone receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99705
Assay: Displacement of Eu-MCH from human MCHR1 expressed in CHO cell membranes by TRF assay
Measurement: IC50 = 190 nM (pChEMBL 6.71999979019165)
Descriptors: MW 457.57, ALogP 5.01, HBA 5, HBD 0, PSA 54.9, QED 0.5
Compound (SMILES): COc1cc(N2Cc3ccc(-c4cc(C)ccc4C)nc3C2=O)ccc1OCCN1CCCC1
InChIKey: RKZDIHQHKUPNRI-UHFFFAOYSA-N
Target: Melanin-concentrating hormone receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99705
Assay: Displacement of Eu-MCH from human MCHR1 expressed in CHO cell membranes by TRF assay
Measurement: IC50 = 300 nM (pChEMBL 6.519999980926514)
Descriptors: MW 457.57, ALogP 5.01, HBA 5, HBD 0, PSA 54.9, QED 0.5
Compound (SMILES): COc1cc(N2Cc3ccc(-c4ccc(C)c(C)c4)nc3C2=O)ccc1OCCN1CCCC1
InChIKey: PVFDWMLLHLAOGB-UHFFFAOYSA-N
Target: Melanin-concentrating hormone receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99705
Assay: Displacement of Eu-MCH from human MCHR1 expressed in CHO cell membranes by TRF assay
Measurement: IC50 = 180 nM (pChEMBL 6.75)
Descriptors: MW 457.57, ALogP 5.01, HBA 5, HBD 0, PSA 54.9, QED 0.5
Compound (SMILES): COc1cc(N2Cc3ccc(Cc4ccccc4)nc3C2=O)ccc1OCCN1CCCC1
InChIKey: OUIBHJDVXJJNHJ-UHFFFAOYSA-N
Target: Melanin-concentrating hormone receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99705
Assay: Displacement of Eu-MCH from human MCHR1 expressed in CHO cell membranes by TRF assay
Measurement: IC50 = 70 nM (pChEMBL 7.159999847412109)
Descriptors: MW 443.55, ALogP 4.32, HBA 5, HBD 0, PSA 54.9, QED 0.52
Compound (SMILES): COc1cc(N2Cc3ccc(Cc4ccccc4C)nc3C2=O)ccc1OCCN1CCCC1
InChIKey: XESGZMQBKQYNRY-UHFFFAOYSA-N
Target: Melanin-concentrating hormone receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99705
Assay: Displacement of Eu-MCH from human MCHR1 expressed in CHO cell membranes by TRF assay
Measurement: IC50 = 720 nM (pChEMBL 6.139999866485596)
Descriptors: MW 457.57, ALogP 4.62, HBA 5, HBD 0, PSA 54.9, QED 0.49
Compound (SMILES): COc1cc(N2Cc3ccc(Cc4cccc(F)c4)nc3C2=O)ccc1OCCN1CCCC1
InChIKey: GAAMNPMSLIHUDL-UHFFFAOYSA-N
Target: Melanin-concentrating hormone receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99705
Assay: Displacement of Eu-MCH from human MCHR1 expressed in CHO cell membranes by TRF assay
Measurement: IC50 = 410 nM (pChEMBL 6.389999866485596)
Descriptors: MW 461.54, ALogP 4.46, HBA 5, HBD 0, PSA 54.9, QED 0.5
Compound (SMILES): COc1cc(N2Cc3ccc(Cc4ccc(F)cc4)nc3C2=O)ccc1OCCN1CCCC1
InChIKey: XPKXSODTLZMTIH-UHFFFAOYSA-N
Target: Melanin-concentrating hormone receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99705
Assay: Displacement of Eu-MCH from human MCHR1 expressed in CHO cell membranes by TRF assay
Measurement: IC50 = 80 nM (pChEMBL 7.099999904632568)
Descriptors: MW 461.54, ALogP 4.46, HBA 5, HBD 0, PSA 54.9, QED 0.5
Compound (SMILES): COc1cc(N2Cc3ccc(Cc4ccc(Cl)cc4)nc3C2=O)ccc1OCCN1CCCC1
InChIKey: RIIWDTLBGWKBDN-UHFFFAOYSA-N
Target: Melanin-concentrating hormone receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99705
Assay: Displacement of Eu-MCH from human MCHR1 expressed in CHO cell membranes by TRF assay
Measurement: IC50 = 120 nM (pChEMBL 6.920000076293945)
Descriptors: MW 477.99, ALogP 4.97, HBA 5, HBD 0, PSA 54.9, QED 0.46
Compound (SMILES): COc1cc(N2Cc3ccc(Cc4ccc(C)cc4)nc3C2=O)ccc1OCCN1CCCC1
InChIKey: YIRIGZKRIBCAKM-UHFFFAOYSA-N
Target: Melanin-concentrating hormone receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99705
Assay: Displacement of Eu-MCH from human MCHR1 expressed in CHO cell membranes by TRF assay
Measurement: IC50 = 160 nM (pChEMBL 6.800000190734863)
Descriptors: MW 457.57, ALogP 4.62, HBA 5, HBD 0, PSA 54.9, QED 0.49
Compound (SMILES): COc1cc(N2Cc3ccc(Cc4ccc(C(C)(C)C)cc4)nc3C2=O)ccc1OCCN1CCCC1
InChIKey: VFKZSEIYQXPBJD-UHFFFAOYSA-N
Target: Melanin-concentrating hormone receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99705
Assay: Displacement of Eu-MCH from human MCHR1 expressed in CHO cell membranes by TRF assay
Measurement: IC50 = 1910 nM (pChEMBL 5.71999979019165)
Descriptors: MW 499.66, ALogP 5.61, HBA 5, HBD 0, PSA 54.9, QED 0.4
Compound (SMILES): COc1cc(N2Cc3ccc(-c4ccccc4F)nc3C2=O)ccc1OCCN1CCCC1
InChIKey: XBPMWPFDHYXWCS-UHFFFAOYSA-N
Target: Melanin-concentrating hormone receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99705
Assay: Displacement of Eu-MCH from human MCHR1 expressed in CHO cell membranes by TRF assay
Measurement: IC50 = 4130 nM (pChEMBL 5.380000114440918)
Descriptors: MW 447.51, ALogP 4.53, HBA 5, HBD 0, PSA 54.9, QED 0.53
Compound (SMILES): COc1cc(N2Cc3ccc(-c4ccc(F)cc4)nc3C2=O)ccc1OCCN1CCCC1
InChIKey: LHHWWEWLONPSSU-UHFFFAOYSA-N
Target: Melanin-concentrating hormone receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99705
Assay: Displacement of Eu-MCH from human MCHR1 expressed in CHO cell membranes by TRF assay
Measurement: IC50 = 3100 nM (pChEMBL 5.510000228881836)
Descriptors: MW 447.51, ALogP 4.53, HBA 5, HBD 0, PSA 54.9, QED 0.53
Compound (SMILES): COc1cc(N2Cc3ccc(-c4ccc(C(F)(F)F)cc4)nc3C2=O)ccc1OCCN1CCCC1
InChIKey: BWNVZUMBVZQREV-UHFFFAOYSA-N
Target: Melanin-concentrating hormone receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99705
Assay: Displacement of Eu-MCH from human MCHR1 expressed in CHO cell membranes by TRF assay
Measurement: IC50 = 540 nM (pChEMBL 6.269999980926514)
Descriptors: MW 497.52, ALogP 5.41, HBA 5, HBD 0, PSA 54.9, QED 0.44
Compound (SMILES): COc1cc(N2Cc3ccc(-c4ccc(C#N)cc4)nc3C2=O)ccc1OCCN1CCCC1
InChIKey: ZDQFIIDVKMVKFF-UHFFFAOYSA-N
Target: Melanin-concentrating hormone receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99705
Assay: Displacement of Eu-MCH from human MCHR1 expressed in CHO cell membranes by TRF assay
Measurement: IC50 = 10000 nM (pChEMBL 5)
Descriptors: MW 454.53, ALogP 4.26, HBA 6, HBD 0, PSA 78.69, QED 0.53
Compound (SMILES): COc1cc(N2Cc3ccc(-c4ccccc4C)nc3C2=O)ccc1OCCN1CCCC1
InChIKey: FFKWNYWBONEOOZ-UHFFFAOYSA-N
Target: Melanin-concentrating hormone receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99705
Assay: Displacement of Eu-MCH from human MCHR1 expressed in CHO cell membranes by TRF assay
Measurement: IC50 = 1040 nM (pChEMBL 5.980000019073486)
Descriptors: MW 443.55, ALogP 4.7, HBA 5, HBD 0, PSA 54.9, QED 0.53
Compound (SMILES): COc1cc(N2Cc3ccc(-c4ccc(C)cc4)nc3C2=O)ccc1OCCN1CCCC1
InChIKey: GTUFFPHFBPXMMS-UHFFFAOYSA-N
Target: Melanin-concentrating hormone receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99705
Assay: Displacement of Eu-MCH from human MCHR1 expressed in CHO cell membranes by TRF assay
Measurement: IC50 = 80 nM (pChEMBL 7.099999904632568)
Descriptors: MW 443.55, ALogP 4.7, HBA 5, HBD 0, PSA 54.9, QED 0.53
Compound (SMILES): CCc1ccccc1-c1ccc2c(n1)C(=O)N(c1ccc(OCCN3CCCC3)c(OC)c1)C2
InChIKey: JIGSGYVPOWHYGM-UHFFFAOYSA-N
Target: Melanin-concentrating hormone receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99705
Assay: Displacement of Eu-MCH from human MCHR1 expressed in CHO cell membranes by TRF assay
Measurement: IC50 = 2000 nM (pChEMBL 5.699999809265137)
Descriptors: MW 457.57, ALogP 4.95, HBA 5, HBD 0, PSA 54.9, QED 0.48
Compound (SMILES): CCc1ccc(-c2ccc3c(n2)C(=O)N(c2ccc(OCCN4CCCC4)c(OC)c2)C3)cc1
InChIKey: JRDLEMTYNVKHFV-UHFFFAOYSA-N
Target: Melanin-concentrating hormone receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99705
Assay: Displacement of Eu-MCH from human MCHR1 expressed in CHO cell membranes by TRF assay
Measurement: IC50 = 50 nM (pChEMBL 7.300000190734863)
Descriptors: MW 457.57, ALogP 4.95, HBA 5, HBD 0, PSA 54.9, QED 0.48
Compound (SMILES): CCCc1ccc(-c2ccc3c(n2)C(=O)N(c2ccc(OCCN4CCCC4)c(OC)c2)C3)cc1
InChIKey: ZBYCVVYNJNMXCU-UHFFFAOYSA-N
Target: Melanin-concentrating hormone receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99705
Assay: Displacement of Eu-MCH from human MCHR1 expressed in CHO cell membranes by TRF assay
Measurement: IC50 = 210 nM (pChEMBL 6.679999828338623)
Descriptors: MW 471.6, ALogP 5.34, HBA 5, HBD 0, PSA 54.9, QED 0.42
Compound (SMILES): CCCCc1ccc(-c2ccc3c(n2)C(=O)N(c2ccc(OCCN4CCCC4)c(OC)c2)C3)cc1
InChIKey: WVHXTTNAWLOLHX-UHFFFAOYSA-N
Target: Melanin-concentrating hormone receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99705
Assay: Displacement of Eu-MCH from human MCHR1 expressed in CHO cell membranes by TRF assay
Measurement: IC50 = 2780 nM (pChEMBL 5.559999942779541)
Descriptors: MW 485.63, ALogP 5.73, HBA 5, HBD 0, PSA 54.9, QED 0.37
Compound (SMILES): COc1cc(N2Cc3ccc(-c4ccc(C(C)C)cc4)nc3C2=O)ccc1OCCN1CCCC1
InChIKey: DIHGBHVSXAVVTN-UHFFFAOYSA-N
Target: Melanin-concentrating hormone receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99705
Assay: Displacement of Eu-MCH from human MCHR1 expressed in CHO cell membranes by TRF assay
Measurement: IC50 = 90 nM (pChEMBL 7.050000190734863)
Descriptors: MW 471.6, ALogP 5.52, HBA 5, HBD 0, PSA 54.9, QED 0.43
Compound (SMILES): C=Cc1ccc(-c2ccc3c(n2)C(=O)N(c2ccc(OCCN4CCCC4)c(OC)c2)C3)cc1
InChIKey: ZVBWSCNFEZNYOE-UHFFFAOYSA-N
Target: Melanin-concentrating hormone receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99705
Assay: Displacement of Eu-MCH from human MCHR1 expressed in CHO cell membranes by TRF assay
Measurement: IC50 = 130 nM (pChEMBL 6.889999866485596)
Descriptors: MW 455.56, ALogP 5.04, HBA 5, HBD 0, PSA 54.9, QED 0.48
Compound (SMILES): COc1cccc(-c2ccc3c(n2)C(=O)N(c2ccc(OCCN4CCCC4)c(OC)c2)C3)c1
InChIKey: QTORSCZTNDMGIF-UHFFFAOYSA-N
Target: Melanin-concentrating hormone receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99705
Assay: Displacement of Eu-MCH from human MCHR1 expressed in CHO cell membranes by TRF assay
Measurement: IC50 = 2010 nM (pChEMBL 5.699999809265137)
Descriptors: MW 459.55, ALogP 4.4, HBA 6, HBD 0, PSA 64.13, QED 0.5
Compound (SMILES): COc1ccc(-c2ccc3c(n2)C(=O)N(c2ccc(OCCN4CCCC4)c(OC)c2)C3)cc1
InChIKey: UOTCQGFOPWEJDL-UHFFFAOYSA-N
Target: Melanin-concentrating hormone receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99705
Assay: Displacement of Eu-MCH from human MCHR1 expressed in CHO cell membranes by TRF assay
Measurement: IC50 = 340 nM (pChEMBL 6.46999979019165)
Descriptors: MW 459.55, ALogP 4.4, HBA 6, HBD 0, PSA 64.13, QED 0.5
Compound (SMILES): COc1cc(N2Cc3ccc(-c4ccccc4Cl)nc3C2=O)ccc1OCCN1CCCC1
InChIKey: DIADQHNBQRFIEZ-UHFFFAOYSA-N
Target: Melanin-concentrating hormone receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99705
Assay: Displacement of Eu-MCH from human MCHR1 expressed in CHO cell membranes by TRF assay
Measurement: IC50 = 510 nM (pChEMBL 6.289999961853027)
Descriptors: MW 463.97, ALogP 5.05, HBA 5, HBD 0, PSA 54.9, QED 0.49
Compound (SMILES): COc1cc(N2Cc3ccc(-c4cccc(Cl)c4)nc3C2=O)ccc1OCCN1CCCC1
InChIKey: RLAMGSGBMOXEQV-UHFFFAOYSA-N
Target: Melanin-concentrating hormone receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99705
Assay: Displacement of Eu-MCH from human MCHR1 expressed in CHO cell membranes by TRF assay
Measurement: IC50 = 5650 nM (pChEMBL 5.25)
Descriptors: MW 463.97, ALogP 5.05, HBA 5, HBD 0, PSA 54.9, QED 0.49
Compound (SMILES): COc1cc(N2Cc3ccc(-c4ccc(Cl)cc4)nc3C2=O)ccc1OCCN1CCCC1
InChIKey: UUMPZIQXEBDCNE-UHFFFAOYSA-N
Target: Melanin-concentrating hormone receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99705
Assay: Displacement of Eu-MCH from human MCHR1 expressed in CHO cell membranes by TRF assay
Measurement: IC50 = 440 nM (pChEMBL 6.360000133514404)
Descriptors: MW 463.97, ALogP 5.05, HBA 5, HBD 0, PSA 54.9, QED 0.49
Compound (SMILES): COc1cc(N2Cc3ccc(-c4ccccc4)nc3C2=O)ccc1OCCN1CCCC1
InChIKey: UTOAGLOAAOYYKC-UHFFFAOYSA-N
Target: Melanin-concentrating hormone receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99705
Assay: Displacement of Eu-MCH from human MCHR1 expressed in CHO cell membranes by TRF assay
Measurement: IC50 = 10000 nM (pChEMBL 5)
Descriptors: MW 429.52, ALogP 4.39, HBA 5, HBD 0, PSA 54.9, QED 0.56
Compound (SMILES): COc1cc(N2Cc3ccc(-c4ccccc4OC)nc3C2=O)ccc1OCCN1CCCC1
InChIKey: YVOYOVSHOFGFNJ-UHFFFAOYSA-N
Target: Melanin-concentrating hormone receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99705
Assay: Displacement of Eu-MCH from human MCHR1 expressed in CHO cell membranes by TRF assay
Measurement: IC50 = 7110 nM (pChEMBL 5.150000095367432)
Descriptors: MW 459.55, ALogP 4.4, HBA 6, HBD 0, PSA 64.13, QED 0.5
Compound (SMILES): CC1=C(CC(=O)O)c2cc(F)ccc2/C1=C\c1cccc(C#N)c1
InChIKey: MFWQQZDFOLECGR-IUXPMGMMSA-N
Target: Retinoic acid receptor RXR-alpha (SINGLE PROTEIN), Homo sapiens
UniProt: P19793
Assay: Displacement of [3H]-9-cis-RA from human GST-tagged N-terminal truncated RXRalpha after 1 hr by liquid scintillation counting
Measurement: IC50 >= 100000 nM (pChEMBL 4)
Descriptors: MW 319.33, ALogP 4.5, HBA 2, HBD 1, PSA 61.09, QED 0.91
Compound (SMILES): CC(=O)Nc1ccc(/C=C2/C(C)=C(CC(=O)O)c3cc(F)ccc32)cc1
InChIKey: AZXHKCFPLYTROX-NVMNQCDNSA-N
Target: Retinoic acid receptor RXR-alpha (SINGLE PROTEIN), Homo sapiens
UniProt: P19793
Assay: Displacement of [3H]-9-cis-RA from human GST-tagged N-terminal truncated RXRalpha after 1 hr by liquid scintillation counting
Measurement: IC50 >= 100000 nM (pChEMBL 4)
Descriptors: MW 351.38, ALogP 4.59, HBA 2, HBD 2, PSA 66.4, QED 0.85
Compound (SMILES): CC1=C(CCC(=O)O)c2cc(F)ccc2/C1=C\c1ccc(C(C)C)cc1
InChIKey: HQEAFPZFDKSVSQ-MTJSOVHGSA-N
Target: Retinoic acid receptor RXR-alpha (SINGLE PROTEIN), Homo sapiens
UniProt: P19793
Assay: Displacement of [3H]-9-cis-RA from human GST-tagged N-terminal truncated RXRalpha after 1 hr by liquid scintillation counting
Measurement: IC50 = 5710 nM (pChEMBL 5.239999771118164)
Descriptors: MW 350.43, ALogP 6.14, HBA 1, HBD 1, PSA 37.3, QED 0.7
Compound (SMILES): CC1=C(CCC#N)c2cc(F)ccc2/C1=C\c1ccc(C(C)C)cc1
InChIKey: UYMXXTSSNXITPN-XKZIYDEJSA-N
Target: Retinoic acid receptor RXR-alpha (SINGLE PROTEIN), Homo sapiens
UniProt: P19793
Assay: Displacement of [3H]-9-cis-RA from human GST-tagged N-terminal truncated RXRalpha after 1 hr by liquid scintillation counting
Measurement: IC50 >= 100000 nM (pChEMBL 4)
Descriptors: MW 331.43, ALogP 6.58, HBA 1, HBD 0, PSA 23.79, QED 0.62
Compound (SMILES): CC1=C(CC(N)=O)c2cc(F)ccc2/C1=C\c1ccc(C(C)C)cc1
InChIKey: LGQQXFLHICRHFS-GRSHGNNSSA-N
Target: Retinoic acid receptor RXR-alpha (SINGLE PROTEIN), Homo sapiens
UniProt: P19793
Assay: Displacement of [3H]-9-cis-RA from human GST-tagged N-terminal truncated RXRalpha after 1 hr by liquid scintillation counting
Measurement: IC50 >= 100000 nM (pChEMBL 4)
Descriptors: MW 335.42, ALogP 5.15, HBA 1, HBD 1, PSA 43.09, QED 0.82
Compound (SMILES): CC1=C(CC(N)=O)c2cc(F)ccc2/C1=C/c1ccc(C(C)C)cc1
InChIKey: LGQQXFLHICRHFS-VXLYETTFSA-N
Target: Retinoic acid receptor RXR-alpha (SINGLE PROTEIN), Homo sapiens
UniProt: P19793
Assay: Displacement of [3H]-9-cis-RA from human GST-tagged N-terminal truncated RXRalpha after 1 hr by liquid scintillation counting
Measurement: IC50 >= 100000 nM (pChEMBL 4)
Descriptors: MW 335.42, ALogP 5.15, HBA 1, HBD 1, PSA 43.09, QED 0.82
Compound (SMILES): CCC1=C(CC(=O)O)c2cc(F)ccc2/C1=C\c1ccc(C(C)C)cc1
InChIKey: TUEHPPOJHMSRPU-JAIQZWGSSA-N
Target: Retinoic acid receptor RXR-alpha (SINGLE PROTEIN), Homo sapiens
UniProt: P19793
Assay: Displacement of [3H]-9-cis-RA from human GST-tagged N-terminal truncated RXRalpha after 1 hr by liquid scintillation counting
Measurement: IC50 = 6290 nM (pChEMBL 5.199999809265137)
Descriptors: MW 350.43, ALogP 6.14, HBA 1, HBD 1, PSA 37.3, QED 0.7
Compound (SMILES): CC(C)CC1=C(CC(=O)O)c2cc(F)ccc2/C1=C\c1ccc(C(C)C)cc1
InChIKey: MZBOSNKFVMYXJW-WSDLNYQXSA-N
Target: Retinoic acid receptor RXR-alpha (SINGLE PROTEIN), Homo sapiens
UniProt: P19793
Assay: Displacement of [3H]-9-cis-RA from human GST-tagged N-terminal truncated RXRalpha after 1 hr by liquid scintillation counting
Measurement: IC50 = 3150 nM (pChEMBL 5.5)
Descriptors: MW 378.49, ALogP 6.78, HBA 1, HBD 1, PSA 37.3, QED 0.6
Compound (SMILES): CC1=C(CC(=O)O)c2ccccc2/C1=C\c1ccc(C(C)C)cc1
InChIKey: ZCKJEQOGCREIGX-NDENLUEZSA-N
Target: Retinoic acid receptor RXR-alpha (SINGLE PROTEIN), Homo sapiens
UniProt: P19793
Assay: Displacement of [3H]-9-cis-RA from human GST-tagged N-terminal truncated RXRalpha after 1 hr by liquid scintillation counting
Measurement: IC50 >= 100000 nM (pChEMBL 4)
Descriptors: MW 318.42, ALogP 5.61, HBA 1, HBD 1, PSA 37.3, QED 0.79
Compound (SMILES): CC1=C(CC(=O)O)c2cc(C)ccc2/C1=C\c1ccc(C(C)C)cc1
InChIKey: IAQHDPRNXOKBRU-NDENLUEZSA-N
Target: Retinoic acid receptor RXR-alpha (SINGLE PROTEIN), Homo sapiens
UniProt: P19793
Assay: Displacement of [3H]-9-cis-RA from human GST-tagged N-terminal truncated RXRalpha after 1 hr by liquid scintillation counting
Measurement: IC50 >= 100000 nM (pChEMBL 4)
Descriptors: MW 332.44, ALogP 5.92, HBA 1, HBD 1, PSA 37.3, QED 0.75
Compound (SMILES): COc1ccc2c(c1)C(CC(=O)O)=C(C)/C2=C/c1ccc(C(C)C)cc1
InChIKey: SOYSPFLVFJOTIU-JAIQZWGSSA-N
Target: Retinoic acid receptor RXR-alpha (SINGLE PROTEIN), Homo sapiens
UniProt: P19793
Assay: Displacement of [3H]-9-cis-RA from human GST-tagged N-terminal truncated RXRalpha after 1 hr by liquid scintillation counting
Measurement: IC50 >= 100000 nM (pChEMBL 4)
Descriptors: MW 348.44, ALogP 5.62, HBA 2, HBD 1, PSA 46.53, QED 0.76
Compound (SMILES): CCc1ccc2c(c1)C(CC(=O)O)=C(C)/C2=C/c1ccc(C(C)C)cc1
InChIKey: MAPVSUDTINMEHV-BKUYFWCQSA-N
Target: Retinoic acid receptor RXR-alpha (SINGLE PROTEIN), Homo sapiens
UniProt: P19793
Assay: Displacement of [3H]-9-cis-RA from human GST-tagged N-terminal truncated RXRalpha after 1 hr by liquid scintillation counting
Measurement: IC50 >= 100000 nM (pChEMBL 4)
Descriptors: MW 346.47, ALogP 6.17, HBA 1, HBD 1, PSA 37.3, QED 0.7
Compound (SMILES): CCOc1ccc2c(c1)C(CC(=O)O)=C(C)/C2=C/c1ccc(C(C)C)cc1
InChIKey: NRSSQZXATYHVTO-MTJSOVHGSA-N
Target: Retinoic acid receptor RXR-alpha (SINGLE PROTEIN), Homo sapiens
UniProt: P19793
Assay: Displacement of [3H]-9-cis-RA from human GST-tagged N-terminal truncated RXRalpha after 1 hr by liquid scintillation counting
Measurement: IC50 = 3080 nM (pChEMBL 5.510000228881836)
Descriptors: MW 362.47, ALogP 6.01, HBA 2, HBD 1, PSA 46.53, QED 0.68
Compound (SMILES): CC1=C(CC(=O)O)c2cc(C(C)C)ccc2/C1=C\c1ccc(C(C)C)cc1
InChIKey: SEHKBWSSKSILRZ-UUYOSTAYSA-N
Target: Retinoic acid receptor RXR-alpha (SINGLE PROTEIN), Homo sapiens
UniProt: P19793
Assay: Displacement of [3H]-9-cis-RA from human GST-tagged N-terminal truncated RXRalpha after 1 hr by liquid scintillation counting
Measurement: IC50 >= 100000 nM (pChEMBL 4)
Descriptors: MW 360.5, ALogP 6.74, HBA 1, HBD 1, PSA 37.3, QED 0.64
Compound (SMILES): CC1=C(CC(=O)O)c2cc(Cl)ccc2/C1=C\c1ccc(C(C)C)cc1
InChIKey: WAGDLOSEWPCXHE-GRSHGNNSSA-N
Target: Retinoic acid receptor RXR-alpha (SINGLE PROTEIN), Homo sapiens
UniProt: P19793
Assay: Displacement of [3H]-9-cis-RA from human GST-tagged N-terminal truncated RXRalpha after 1 hr by liquid scintillation counting
Measurement: IC50 >= 100000 nM (pChEMBL 4)
Descriptors: MW 352.86, ALogP 6.27, HBA 1, HBD 1, PSA 37.3, QED 0.7
Compound (SMILES): CC(C)c1ccc(/C=C2\C=C(CC(=O)O)c3cc(F)ccc32)cc1
InChIKey: VGMRWAAVHNTCHT-CXUHLZMHSA-N
Target: Retinoic acid receptor RXR-alpha (SINGLE PROTEIN), Homo sapiens
UniProt: P19793
Assay: Displacement of [3H]-9-cis-RA from human GST-tagged N-terminal truncated RXRalpha after 1 hr by liquid scintillation counting
Measurement: IC50 = 1600 nM (pChEMBL 5.800000190734863)
Descriptors: MW 322.38, ALogP 5.36, HBA 1, HBD 1, PSA 37.3, QED 0.82
Compound (SMILES): CC1=C(CC(=O)O)c2cc(F)ccc2/C1=C\c1ccc(C(C)C)cc1
InChIKey: QCXBVGNDRYQVJO-GRSHGNNSSA-N
Target: Retinoic acid receptor RXR-alpha (SINGLE PROTEIN), Homo sapiens
UniProt: P19793
Assay: Displacement of [3H]-9-cis-RA from RXRalpha (unknown origin) by liquid scintillation counting
Measurement: IC50 = 2400 nM (pChEMBL 5.619999885559082)
Descriptors: MW 336.41, ALogP 5.75, HBA 1, HBD 1, PSA 37.3, QED 0.77
Compound (SMILES): CC1=C(CC(=O)O)c2cc(F)ccc2/C1=C\c1ccccc1
InChIKey: MVHHIVKPIOEVNA-SXGWCWSVSA-N
Target: Retinoic acid receptor RXR-alpha (SINGLE PROTEIN), Homo sapiens
UniProt: P19793
Assay: Displacement of [3H]-9-cis-RA from human GST-tagged N-terminal truncated RXRalpha after 1 hr by liquid scintillation counting
Measurement: IC50 = 10650 nM (pChEMBL 4.96999979019165)
Descriptors: MW 294.32, ALogP 4.63, HBA 1, HBD 1, PSA 37.3, QED 0.9
Compound (SMILES): CC1=C(CC(=O)O)c2cc(F)ccc2/C1=C\c1ccc(C(F)(F)F)cc1
InChIKey: XYELXKSBQQIQHZ-PXNMLYILSA-N
Target: Retinoic acid receptor RXR-alpha (SINGLE PROTEIN), Homo sapiens
UniProt: P19793
Assay: Displacement of [3H]-9-cis-RA from human GST-tagged N-terminal truncated RXRalpha after 1 hr by liquid scintillation counting
Measurement: IC50 = 4730 nM (pChEMBL 5.329999923706055)
Descriptors: MW 362.32, ALogP 5.65, HBA 1, HBD 1, PSA 37.3, QED 0.72
Compound (SMILES): CC1=C(CC(=O)O)c2cc(F)ccc2/C1=C\c1ccc(C(C)(C)C)cc1
InChIKey: WIPCLQSLBBGJGI-ODLFYWEKSA-N
Target: Retinoic acid receptor RXR-alpha (SINGLE PROTEIN), Homo sapiens
UniProt: P19793
Assay: Displacement of [3H]-9-cis-RA from human GST-tagged N-terminal truncated RXRalpha after 1 hr by liquid scintillation counting
Measurement: IC50 >= 100000 nM (pChEMBL 4)
Descriptors: MW 350.43, ALogP 5.93, HBA 1, HBD 1, PSA 37.3, QED 0.75
Compound (SMILES): CC1=C(CC(=O)O)c2cc(F)ccc2/C1=C\c1ccc(-c2ccccn2)cc1
InChIKey: KYRYWHJFMUOVRI-NDENLUEZSA-N
Target: Retinoic acid receptor RXR-alpha (SINGLE PROTEIN), Homo sapiens
UniProt: P19793
Assay: Displacement of [3H]-9-cis-RA from human GST-tagged N-terminal truncated RXRalpha after 1 hr by liquid scintillation counting
Measurement: IC50 >= 100000 nM (pChEMBL 4)
Descriptors: MW 371.41, ALogP 5.69, HBA 2, HBD 1, PSA 50.19, QED 0.64
Compound (SMILES): CCOc1ccc(/C=C2/C(C)=C(CC(=O)O)c3cc(F)ccc32)cc1
InChIKey: YJONJCJIVGMVPU-ZDLGFXPLSA-N
Target: Retinoic acid receptor RXR-alpha (SINGLE PROTEIN), Homo sapiens
UniProt: P19793
Assay: Displacement of [3H]-9-cis-RA from human GST-tagged N-terminal truncated RXRalpha after 1 hr by liquid scintillation counting
Measurement: IC50 >= 100000 nM (pChEMBL 4)
Descriptors: MW 338.38, ALogP 5.03, HBA 2, HBD 1, PSA 46.53, QED 0.83