lovingscience/chembl-v37-raw-activities huggingface dataset:
Compound (SMILES): CNC(=O)c1ccc(-c2cc(F)c3ncc(Cc4ccc5ncccc5c4)n3c2)cc1OC
InChIKey: SVHVMOGGJNXSLT-UHFFFAOYSA-N
Target: Hepatocyte growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08581
Assay: Inhibition of C-Met (unknown origin) using polu (Glu,Tyr)4:1 substrate after 30 mins incubation by multi-well spectrophotometry
Measurement: IC50 = 10.6 nM (pChEMBL 7.96999979019165)
Descriptors: MW 440.48, ALogP 4.65, HBA 5, HBD 1, PSA 68.52, QED 0.43
Compound (SMILES): CNC(=O)c1ccc(-c2cc(F)c3ncc(Cc4ccc5ncccc5c4)n3c2)cc1F
InChIKey: HLMASOKCFIFSOF-UHFFFAOYSA-N
Target: Tyrosine-protein kinase receptor TYRO3 (SINGLE PROTEIN), Homo sapiens
UniProt: Q06418
Assay: Inhibition of Tyro3 (unknown origin) using polu (Glu,Tyr)4:1 substrate after 30 mins incubation by multi-well spectrophotometry
Measurement: IC50 > 10000 nM (pChEMBL 5)
Descriptors: MW 428.44, ALogP 4.78, HBA 4, HBD 1, PSA 59.29, QED 0.45
Compound (SMILES): O=C(c1ccc(-c2cc(F)c3ncc(Cc4ccc5ncccc5c4)n3c2)cc1F)N1CCC2(COC2)C1
InChIKey: NBOGKZQHDLWCQH-UHFFFAOYSA-N
Target: Hepatocyte growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08581
Assay: Inhibition of C-Met (unknown origin) using polu (Glu,Tyr)4:1 substrate after 30 mins incubation by multi-well spectrophotometry
Measurement: IC50 = 21.4 nM (pChEMBL 7.670000076293945)
Descriptors: MW 510.54, ALogP 5.28, HBA 5, HBD 0, PSA 59.73, QED 0.33
Compound (SMILES): CN1CCN(C(=O)c2ccc(-c3cc(F)c4ncc(Cc5ccc6ncccc6c5)n4c3)cc2F)CC1
InChIKey: STTNSNKWAXFCOZ-UHFFFAOYSA-N
Target: Hepatocyte growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08581
Assay: Inhibition of C-Met (unknown origin) using polu (Glu,Tyr)4:1 substrate after 30 mins incubation by multi-well spectrophotometry
Measurement: IC50 = 39.1 nM (pChEMBL 7.409999847412109)
Descriptors: MW 497.55, ALogP 4.81, HBA 5, HBD 0, PSA 53.74, QED 0.36
Compound (SMILES): O=C(NCCN1CCOCC1)c1ccc(-c2cc(F)c3ncc(Cc4ccc5ncccc5c4)n3c2)cc1F
InChIKey: CHIDBYVEZDDKHB-UHFFFAOYSA-N
Target: Hepatocyte growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08581
Assay: Inhibition of C-Met (unknown origin) using polu (Glu,Tyr)4:1 substrate after 30 mins incubation by multi-well spectrophotometry
Measurement: IC50 = 2 nM (pChEMBL 8.699999809265137)
Descriptors: MW 527.58, ALogP 4.48, HBA 6, HBD 1, PSA 71.76, QED 0.34
Compound (SMILES): CN(C)CCNC(=O)c1ccc(-c2cc(F)c3ncc(Cc4ccc5ncccc5c4)n3c2)cc1F
InChIKey: UEDJSQIMMXLAAI-UHFFFAOYSA-N
Target: Hepatocyte growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08581
Assay: Inhibition of C-Met (unknown origin) using polu (Glu,Tyr)4:1 substrate after 30 mins incubation by multi-well spectrophotometry
Measurement: IC50 = 2.4 nM (pChEMBL 8.619999885559082)
Descriptors: MW 485.54, ALogP 4.71, HBA 5, HBD 1, PSA 62.53, QED 0.36
Compound (SMILES): O=C(NCCCN1CCCC1)c1ccc(-c2cc(F)c3ncc(Cc4ccc5ncccc5c4)n3c2)cc1F
InChIKey: JUOFREXDFXGTPP-UHFFFAOYSA-N
Target: Hepatocyte growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08581
Assay: Inhibition of C-Met (unknown origin) using polu (Glu,Tyr)4:1 substrate after 30 mins incubation by multi-well spectrophotometry
Measurement: IC50 = 3.4 nM (pChEMBL 8.470000267028809)
Descriptors: MW 525.6, ALogP 5.63, HBA 5, HBD 1, PSA 62.53, QED 0.27
Compound (SMILES): O=C(NCC1CCCCN1)c1ccc(-c2cc(F)c3ncc(Cc4ccc5ncccc5c4)n3c2)cc1F
InChIKey: RBMXCWNRSJYYIJ-UHFFFAOYSA-N
Target: Hepatocyte growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08581
Assay: Inhibition of C-Met (unknown origin) using polu (Glu,Tyr)4:1 substrate after 30 mins incubation by multi-well spectrophotometry
Measurement: IC50 = 0.7 nM (pChEMBL 9.149999618530273)
Descriptors: MW 511.58, ALogP 5.29, HBA 5, HBD 2, PSA 71.32, QED 0.33
Compound (SMILES): O=C(NC1CCCNC1)c1ccc(-c2cc(F)c3ncc(Cc4ccc5ncccc5c4)n3c2)cc1F
InChIKey: GUMJWHJDIQZKDL-UHFFFAOYSA-N
Target: Hepatocyte growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08581
Assay: Inhibition of C-Met (unknown origin) using polu (Glu,Tyr)4:1 substrate after 30 mins incubation by multi-well spectrophotometry
Measurement: IC50 = 0.9 nM (pChEMBL 9.050000190734863)
Descriptors: MW 497.55, ALogP 4.9, HBA 5, HBD 2, PSA 71.32, QED 0.36
Compound (SMILES): O=C(NCc1ccccn1)c1ccc(-c2cc(F)c3ncc(Cc4ccc5ncccc5c4)n3c2)cc1F
InChIKey: XSQNHGXAGYTUPC-UHFFFAOYSA-N
Target: Hepatocyte growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08581
Assay: Inhibition of C-Met (unknown origin) using polu (Glu,Tyr)4:1 substrate after 30 mins incubation by multi-well spectrophotometry
Measurement: IC50 = 8.3 nM (pChEMBL 8.079999923706055)
Descriptors: MW 505.53, ALogP 5.74, HBA 5, HBD 1, PSA 72.18, QED 0.31
Compound (SMILES): O=C(NCc1cc(F)cc(F)c1)c1ccc(-c2cc(F)c3ncc(Cc4ccc5ncccc5c4)n3c2)cc1F
InChIKey: JYUBIYKIZFOFQE-UHFFFAOYSA-N
Target: Hepatocyte growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08581
Assay: Inhibition of C-Met (unknown origin) using polu (Glu,Tyr)4:1 substrate after 30 mins incubation by multi-well spectrophotometry
Measurement: IC50 = 4.7 nM (pChEMBL 8.329999923706055)
Descriptors: MW 540.52, ALogP 6.63, HBA 4, HBD 1, PSA 59.29, QED 0.24
Compound (SMILES): O=C(NC1CCOCC1)c1ccc(-c2cc(F)c3ncc(Cc4ccc5ncccc5c4)n3c2)cc1F
InChIKey: JTRXJCGYIWZXQN-UHFFFAOYSA-N
Target: Hepatocyte growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08581
Assay: Inhibition of C-Met (unknown origin) using polu (Glu,Tyr)4:1 substrate after 30 mins incubation by multi-well spectrophotometry
Measurement: IC50 = 4.2 nM (pChEMBL 8.380000114440918)
Descriptors: MW 498.53, ALogP 5.33, HBA 5, HBD 1, PSA 68.52, QED 0.36
Compound (SMILES): CNC(=O)c1ccc(-c2cnc3nnc(Cc4ccc5ncccc5c4)n3n2)cc1F
InChIKey: AXBANCDWRYXEBP-UHFFFAOYSA-N
Target: Hepatocyte growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08581
Assay: Inhibition of C-Met (unknown origin) using polu (Glu,Tyr)4:1 substrate after 30 mins incubation by multi-well spectrophotometry
Measurement: IC50 = 0.13 nM (pChEMBL 9.890000343322754)
Descriptors: MW 413.42, ALogP 2.82, HBA 7, HBD 1, PSA 97.96, QED 0.49
Compound (SMILES): Fc1ccc(-c2c[nH]c([C@H]3Cc4c([nH]c5ccccc45)CN3)n2)cc1
InChIKey: BMHAOFYWKWENPC-QGZVFWFLSA-N
Target: Somatostatin receptor type 3 (SINGLE PROTEIN), Homo sapiens
UniProt: P32745
Assay: Displacement of [125I]SS-14 from human recombinant SSTR3 expressed in CHO cell membranes incubated for 60 to 90 mins by radioligand binding assay
Measurement: IC50 = 11.4 nM (pChEMBL 7.940000057220459)
Descriptors: MW 332.38, ALogP 4.08, HBA 2, HBD 3, PSA 56.5, QED 0.52
Compound (SMILES): Fc1ccc(-c2c[nH]c([C@@H]3CCc4[nH]c5ccccc5c4C3)n2)cc1
InChIKey: IGJWTYHRIZMAFP-CQSZACIVSA-N
Target: Somatostatin receptor type 3 (SINGLE PROTEIN), Homo sapiens
UniProt: P32745
Assay: Displacement of [125I]SS-14 from human recombinant SSTR3 expressed in CHO cell membranes incubated for 60 to 90 mins by radioligand binding assay
Measurement: IC50 = 24.9 nM (pChEMBL 7.599999904632568)
Descriptors: MW 331.39, ALogP 4.97, HBA 1, HBD 2, PSA 44.47, QED 0.54
Compound (SMILES): c1ccc(-c2c[nH]c([C@H]3Cc4c([nH]c5ccccc45)C(C4CCCCC4)O3)n2)cc1
InChIKey: PBHBFGOSBVFTKA-XQZUBTRRSA-N
Target: Somatostatin receptor type 3 (SINGLE PROTEIN), Homo sapiens
UniProt: P32745
Assay: Displacement of [125I]SS-14 from human recombinant SSTR3 expressed in CHO cell membranes incubated for 60 to 90 mins by radioligand binding assay
Measurement: IC50 = 25.3 nM (pChEMBL 7.599999904632568)
Descriptors: MW 397.52, ALogP 6.49, HBA 2, HBD 2, PSA 53.7, QED 0.41
Compound (SMILES): CC1(c2ccccc2)N[C@@H](c2nc(-c3ccc(F)cc3)c[nH]2)Cc2c1[nH]c1ccccc21
InChIKey: SKXFCOJKQNLPGO-BRIWLPCBSA-N
Target: Somatostatin receptor type 3 (SINGLE PROTEIN), Homo sapiens
UniProt: P32745
Assay: Displacement of [125I]SS-14 from human recombinant SSTR3 expressed in CHO cell membranes incubated for 60 to 90 mins by radioligand binding assay
Measurement: IC50 = 4.6 nM (pChEMBL 8.34000015258789)
Descriptors: MW 422.51, ALogP 5.85, HBA 2, HBD 3, PSA 56.5, QED 0.34
Compound (SMILES): Fc1ccc(-c2c[nH]c([C@H]3Cc4c([nH]c5ccccc45)C(c4ccccc4)(C(F)(F)F)N3)n2)cc1
InChIKey: IRZNSLDQXDKZSP-FPSALIRRSA-N
Target: Somatostatin receptor type 3 (SINGLE PROTEIN), Homo sapiens
UniProt: P32745
Assay: Displacement of [125I]SS-14 from human recombinant SSTR3 expressed in CHO cell membranes incubated for 60 to 90 mins by radioligand binding assay
Measurement: IC50 = 2.1 nM (pChEMBL 8.680000305175781)
Descriptors: MW 476.48, ALogP 6.39, HBA 2, HBD 3, PSA 56.5, QED 0.26
Compound (SMILES): c1ccc(-c2c[nH]c([C@H]3Cc4c([nH]c5ccccc45)C(C4CCCCC4)N3)n2)nc1
InChIKey: XFKXYCFECOUEJH-FKHAVUOCSA-N
Target: Somatostatin receptor type 3 (SINGLE PROTEIN), Homo sapiens
UniProt: P32745
Assay: Displacement of [125I]SS-14 from human recombinant SSTR3 expressed in CHO cell membranes incubated for 60 to 90 mins by radioligand binding assay
Measurement: IC50 = 11.3 nM (pChEMBL 7.949999809265137)
Descriptors: MW 397.53, ALogP 5.46, HBA 3, HBD 3, PSA 69.39, QED 0.43
Compound (SMILES): c1cncc(-c2c[nH]c([C@H]3Cc4c([nH]c5ccccc45)C(C4CCCCC4)N3)n2)c1
InChIKey: JBWFNUDNJAGOMY-FKHAVUOCSA-N
Target: Somatostatin receptor type 3 (SINGLE PROTEIN), Homo sapiens
UniProt: P32745
Assay: Displacement of [125I]SS-14 from human recombinant SSTR3 expressed in CHO cell membranes incubated for 60 to 90 mins by radioligand binding assay
Measurement: IC50 = 20 nM (pChEMBL 7.699999809265137)
Descriptors: MW 397.53, ALogP 5.46, HBA 3, HBD 3, PSA 69.39, QED 0.43
Compound (SMILES): c1ccc2c3c([nH]c2c1)C(C1CCCCC1)N[C@@H](c1nc(-c2ccncc2)c[nH]1)C3
InChIKey: GDRGMHVZOBHRRS-FKHAVUOCSA-N
Target: Somatostatin receptor type 3 (SINGLE PROTEIN), Homo sapiens
UniProt: P32745
Assay: Displacement of [125I]SS-14 from human recombinant SSTR3 expressed in CHO cell membranes incubated for 60 to 90 mins by radioligand binding assay
Measurement: IC50 = 11.5 nM (pChEMBL 7.940000057220459)
Descriptors: MW 397.53, ALogP 5.46, HBA 3, HBD 3, PSA 69.39, QED 0.43
Compound (SMILES): c1ccc2c3c([nH]c2c1)C(C1CCCCC1)N[C@@H](c1nc(-c2cnccn2)c[nH]1)C3
InChIKey: WWPQWDGLQMWIGF-LCQOSCCDSA-N
Target: Somatostatin receptor type 3 (SINGLE PROTEIN), Homo sapiens
UniProt: P32745
Assay: Displacement of [125I]SS-14 from human recombinant SSTR3 expressed in CHO cell membranes incubated for 60 to 90 mins by radioligand binding assay
Measurement: IC50 = 53.3 nM (pChEMBL 7.269999980926514)
Descriptors: MW 398.51, ALogP 4.86, HBA 4, HBD 3, PSA 82.28, QED 0.46
Compound (SMILES): Fc1ccc(-c2c[nH]c([C@H]3Cc4c([nH]c5ccccc45)C(C4CCCCC4)N3)n2)nc1
InChIKey: LRAQARBHUPYRAD-FKHAVUOCSA-N
Target: Somatostatin receptor type 3 (SINGLE PROTEIN), Homo sapiens
UniProt: P32745
Assay: Displacement of [125I]SS-14 from human recombinant SSTR3 expressed in CHO cell membranes incubated for 60 to 90 mins by radioligand binding assay
Measurement: IC50 = 2.6 nM (pChEMBL 8.59000015258789)
Descriptors: MW 415.52, ALogP 5.6, HBA 3, HBD 3, PSA 69.39, QED 0.41
Compound (SMILES): Cc1nc([C@]2(c3cnn(C)c3)N[C@@H](c3nc(-c4ccc(F)cn4)c[nH]3)Cc3c2[nH]c2ccccc32)no1
InChIKey: MQOWSXSGMALBJL-QFQXNSOFSA-N
Target: Somatostatin receptor type 3 (SINGLE PROTEIN), Homo sapiens
UniProt: P32745
Assay: Displacement of [125I]SS-14 from human recombinant SSTR3 expressed in CHO cell membranes incubated for 60 to 90 mins by radioligand binding assay
Measurement: IC50 = 3 nM (pChEMBL 8.520000457763672)
Descriptors: MW 495.52, ALogP 3.7, HBA 8, HBD 3, PSA 126.13, QED 0.34
Compound (SMILES): Cc1nc([C@]2(c3cn[nH]c3)N[C@@H](c3nc(-c4ccc(F)cn4)c[nH]3)Cc3c2[nH]c2ccccc32)no1
InChIKey: UIWPKWVONRGQGL-CJFMBICVSA-N
Target: Somatostatin receptor type 3 (SINGLE PROTEIN), Homo sapiens
UniProt: P32745
Assay: Displacement of [125I]SS-14 from human recombinant SSTR3 expressed in CHO cell membranes incubated for 60 to 90 mins by radioligand binding assay
Measurement: IC50 = 20.4 nM (pChEMBL 7.690000057220459)
Descriptors: MW 481.5, ALogP 3.69, HBA 7, HBD 4, PSA 136.99, QED 0.3
Compound (SMILES): CCn1cc([C@@]2(c3noc(C)n3)N[C@@H](c3nc(-c4ccc(F)cn4)c[nH]3)Cc3c2[nH]c2ccccc32)cn1
InChIKey: IODLENIBQMAZBR-AJTFRIOCSA-N
Target: Somatostatin receptor type 3 (SINGLE PROTEIN), Homo sapiens
UniProt: P32745
Assay: Displacement of [125I]SS-14 from human recombinant SSTR3 expressed in CHO cell membranes incubated for 60 to 90 mins by radioligand binding assay
Measurement: IC50 = 2.2 nM (pChEMBL 8.65999984741211)
Descriptors: MW 509.55, ALogP 4.18, HBA 8, HBD 3, PSA 126.13, QED 0.32
Compound (SMILES): CCc1nc([C@]2(c3cnn(C)c3)N[C@@H](c3nc(-c4ccc(F)cn4)c[nH]3)Cc3c2[nH]c2ccccc32)no1
InChIKey: CGJJIOZPOFWFOE-JIPXPUAJSA-N
Target: Somatostatin receptor type 3 (SINGLE PROTEIN), Homo sapiens
UniProt: P32745
Assay: Displacement of [125I]SS-14 from human recombinant SSTR3 expressed in CHO cell membranes incubated for 60 to 90 mins by radioligand binding assay
Measurement: IC50 = 2.9 nM (pChEMBL 8.539999961853027)
Descriptors: MW 509.55, ALogP 3.95, HBA 8, HBD 3, PSA 126.13, QED 0.32
Compound (SMILES): Cc1nc([C@]2(c3cnn(CC4CC4)c3)N[C@@H](c3nc(-c4ccc(F)cn4)c[nH]3)Cc3c2[nH]c2ccccc32)no1
InChIKey: GEVPOPFBQAYDNK-FUFSCUOVSA-N
Target: Somatostatin receptor type 3 (SINGLE PROTEIN), Homo sapiens
UniProt: P32745
Assay: Displacement of [125I]SS-14 from human recombinant SSTR3 expressed in CHO cell membranes incubated for 60 to 90 mins by radioligand binding assay
Measurement: IC50 = 1.1 nM (pChEMBL 8.960000038146973)
Descriptors: MW 535.59, ALogP 4.57, HBA 8, HBD 3, PSA 126.13, QED 0.29
Compound (SMILES): Cn1cc([C@@]2(c3noc(O)n3)N[C@@H](c3nc(-c4ccc(F)cn4)c[nH]3)Cc3c2[nH]c2ccccc32)cn1
InChIKey: AFHKVSNSPKNANW-KBMIEXCESA-N
Target: Somatostatin receptor type 3 (SINGLE PROTEIN), Homo sapiens
UniProt: P32745
Assay: Displacement of [125I]SS-14 from human recombinant SSTR3 expressed in CHO cell membranes incubated for 60 to 90 mins by radioligand binding assay
Measurement: IC50 = 888.4 nM (pChEMBL 6.050000190734863)
Descriptors: MW 497.49, ALogP 3.09, HBA 9, HBD 4, PSA 146.36, QED 0.29
Compound (SMILES): Cn1cc([C@@]2(c3noc(CN)n3)N[C@@H](c3nc(-c4ccc(F)cn4)c[nH]3)Cc3c2[nH]c2ccccc32)cn1
InChIKey: LYJJAIFGVKPDRA-FQRUVTKNSA-N
Target: Somatostatin receptor type 3 (SINGLE PROTEIN), Homo sapiens
UniProt: P32745
Assay: Displacement of [125I]SS-14 from human recombinant SSTR3 expressed in CHO cell membranes incubated for 60 to 90 mins by radioligand binding assay
Measurement: IC50 = 13.7 nM (pChEMBL 7.860000133514404)
Descriptors: MW 510.54, ALogP 2.85, HBA 9, HBD 4, PSA 152.15, QED 0.28
Compound (SMILES): Cc1nnc([C@]2(c3cnn(C)c3)N[C@@H](c3nc(-c4ccc(F)cn4)c[nH]3)Cc3c2[nH]c2ccccc32)o1
InChIKey: DTOUXAJRWSSJFK-QFQXNSOFSA-N
Target: Somatostatin receptor type 3 (SINGLE PROTEIN), Homo sapiens
UniProt: P32745
Assay: Displacement of [125I]SS-14 from human recombinant SSTR3 expressed in CHO cell membranes incubated for 60 to 90 mins by radioligand binding assay
Measurement: IC50 = 4.9 nM (pChEMBL 8.3100004196167)
Descriptors: MW 495.52, ALogP 3.7, HBA 8, HBD 3, PSA 126.13, QED 0.34
Compound (SMILES): CCc1nnc([C@]2(c3cnn(C)c3)N[C@@H](c3nc(-c4ccc(F)cn4)c[nH]3)Cc3c2[nH]c2ccccc32)o1
InChIKey: WCYNIUAYRJDPBU-JIPXPUAJSA-N
Target: Somatostatin receptor type 3 (SINGLE PROTEIN), Homo sapiens
UniProt: P32745
Assay: Displacement of [125I]SS-14 from human recombinant SSTR3 expressed in CHO cell membranes incubated for 60 to 90 mins by radioligand binding assay
Measurement: IC50 = 4.6 nM (pChEMBL 8.34000015258789)
Descriptors: MW 509.55, ALogP 3.95, HBA 8, HBD 3, PSA 126.13, QED 0.32
Compound (SMILES): CCn1cc([C@@]2(c3nnc(C)o3)N[C@@H](c3nc(-c4ccc(F)cn4)c[nH]3)Cc3c2[nH]c2ccccc32)cn1
InChIKey: DYVYVBIDPGNHOV-AJTFRIOCSA-N
Target: Somatostatin receptor type 3 (SINGLE PROTEIN), Homo sapiens
UniProt: P32745
Assay: Displacement of [125I]SS-14 from human recombinant SSTR3 expressed in CHO cell membranes incubated for 60 to 90 mins by radioligand binding assay
Measurement: IC50 = 2.2 nM (pChEMBL 8.65999984741211)
Descriptors: MW 509.55, ALogP 4.18, HBA 8, HBD 3, PSA 126.13, QED 0.32
Compound (SMILES): CCn1cc([C@@]2(c3nnc(O)o3)N[C@@H](c3nc(-c4ccc(F)cn4)c[nH]3)Cc3c2[nH]c2ccccc32)cn1
InChIKey: NOMVWBJBDAKMBD-FQRUVTKNSA-N
Target: Somatostatin receptor type 3 (SINGLE PROTEIN), Homo sapiens
UniProt: P32745
Assay: Displacement of [125I]SS-14 from human recombinant SSTR3 expressed in CHO cell membranes incubated for 60 to 90 mins by radioligand binding assay
Measurement: IC50 = 5.4 nM (pChEMBL 8.270000457763672)
Descriptors: MW 511.52, ALogP 3.58, HBA 9, HBD 4, PSA 146.36, QED 0.27
Compound (SMILES): CCn1cc([C@@]2(c3nnc(S)o3)N[C@@H](c3nc(-c4ccc(F)cn4)c[nH]3)Cc3c2[nH]c2ccccc32)cn1
InChIKey: QUULKZXELSVNFZ-FQRUVTKNSA-N
Target: Somatostatin receptor type 3 (SINGLE PROTEIN), Homo sapiens
UniProt: P32745
Assay: Displacement of [125I]SS-14 from human recombinant SSTR3 expressed in CHO cell membranes incubated for 60 to 90 mins by radioligand binding assay
Measurement: IC50 = 7.6 nM (pChEMBL 8.119999885559082)
Descriptors: MW 527.59, ALogP 4.16, HBA 9, HBD 4, PSA 126.13, QED 0.25
Compound (SMILES): CCn1cc([C@@]2(c3nnc(SC)o3)N[C@@H](c3nc(-c4ccc(F)cn4)c[nH]3)Cc3c2[nH]c2ccccc32)cn1
InChIKey: MJIKQFPIOPDZIZ-JIPXPUAJSA-N
Target: Somatostatin receptor type 3 (SINGLE PROTEIN), Homo sapiens
UniProt: P32745
Assay: Displacement of [125I]SS-14 from human recombinant SSTR3 expressed in CHO cell membranes incubated for 60 to 90 mins by radioligand binding assay
Measurement: IC50 = 1.9 nM (pChEMBL 8.720000267028809)
Descriptors: MW 541.62, ALogP 4.59, HBA 9, HBD 3, PSA 126.13, QED 0.26
Compound (SMILES): Cn1cc([C@@]2(c3nnc(N)o3)N[C@@H](c3nc(-c4ccc(F)cn4)c[nH]3)Cc3c2[nH]c2ccccc32)cn1
InChIKey: BOKJQWGRYGDLOQ-KBMIEXCESA-N
Target: Somatostatin receptor type 3 (SINGLE PROTEIN), Homo sapiens
UniProt: P32745
Assay: Displacement of [125I]SS-14 from human recombinant SSTR3 expressed in CHO cell membranes incubated for 60 to 90 mins by radioligand binding assay
Measurement: IC50 = 5.6 nM (pChEMBL 8.25)
Descriptors: MW 496.51, ALogP 2.97, HBA 9, HBD 4, PSA 152.15, QED 0.29
Compound (SMILES): CCn1cc([C@@]2(c3nnc(NC)o3)N[C@@H](c3nc(-c4ccc(F)cn4)c[nH]3)Cc3c2[nH]c2ccccc32)cn1
InChIKey: CXQXICBDCWZVPX-JIPXPUAJSA-N
Target: Somatostatin receptor type 3 (SINGLE PROTEIN), Homo sapiens
UniProt: P32745
Assay: Displacement of [125I]SS-14 from human recombinant SSTR3 expressed in CHO cell membranes incubated for 60 to 90 mins by radioligand binding assay
Measurement: IC50 = 3.5 nM (pChEMBL 8.460000038146973)
Descriptors: MW 524.56, ALogP 3.91, HBA 9, HBD 4, PSA 138.16, QED 0.26
Compound (SMILES): CCn1cc([C@@]2(c3nnc(N(C)C)o3)N[C@@H](c3nc(-c4ccc(F)cn4)c[nH]3)Cc3c2[nH]c2ccccc32)cn1
InChIKey: HNDFPMYEMNAVKO-SKCUWOTOSA-N
Target: Somatostatin receptor type 3 (SINGLE PROTEIN), Homo sapiens
UniProt: P32745
Assay: Displacement of [125I]SS-14 from human recombinant SSTR3 expressed in CHO cell membranes incubated for 60 to 90 mins by radioligand binding assay
Measurement: IC50 = 4.6 nM (pChEMBL 8.34000015258789)
Descriptors: MW 538.59, ALogP 3.94, HBA 9, HBD 3, PSA 129.37, QED 0.29
Compound (SMILES): Cn1nc([C@]2(c3cn[nH]c3)N[C@@H](c3nc(-c4ccc(F)cn4)c[nH]3)Cc3c2[nH]c2ccccc32)oc1=O
InChIKey: ZEDXJQGDBRTMRE-KBMIEXCESA-N
Target: Somatostatin receptor type 3 (SINGLE PROTEIN), Homo sapiens
UniProt: P32745
Assay: Displacement of [125I]SS-14 from human recombinant SSTR3 expressed in CHO cell membranes incubated for 60 to 90 mins by radioligand binding assay
Measurement: IC50 = 17.3 nM (pChEMBL 7.760000228881836)
Descriptors: MW 497.49, ALogP 2.68, HBA 8, HBD 4, PSA 146.1, QED 0.29
Compound (SMILES): Cn1cc([C@@]2(c3nn(C)c(=O)o3)N[C@@H](c3nc(-c4ccc(F)cn4)c[nH]3)Cc3c2[nH]c2ccccc32)cn1
InChIKey: LUOUAHMSQWXRMY-FQRUVTKNSA-N
Target: Somatostatin receptor type 3 (SINGLE PROTEIN), Homo sapiens
UniProt: P32745
Assay: Displacement of [125I]SS-14 from human recombinant SSTR3 expressed in CHO cell membranes incubated for 60 to 90 mins by radioligand binding assay
Measurement: IC50 = 4.3 nM (pChEMBL 8.369999885559082)
Descriptors: MW 511.52, ALogP 2.69, HBA 9, HBD 3, PSA 135.24, QED 0.33
Compound (SMILES): CCn1nc([C@]2(c3cnn(C)c3)N[C@@H](c3nc(-c4ccc(F)cn4)c[nH]3)Cc3c2[nH]c2ccccc32)oc1=O
InChIKey: DXGQMNPLLZTHPD-JIPXPUAJSA-N
Target: Somatostatin receptor type 3 (SINGLE PROTEIN), Homo sapiens
UniProt: P32745
Assay: Displacement of [125I]SS-14 from human recombinant SSTR3 expressed in CHO cell membranes incubated for 60 to 90 mins by radioligand binding assay
Measurement: IC50 = 2.9 nM (pChEMBL 8.539999961853027)
Descriptors: MW 525.55, ALogP 3.17, HBA 9, HBD 3, PSA 135.24, QED 0.31
Compound (SMILES): CC(C)n1nc([C@]2(c3cnn(C)c3)N[C@@H](c3nc(-c4ccc(F)cn4)c[nH]3)Cc3c2[nH]c2ccccc32)oc1=O
InChIKey: URSFXHYCOQKUPP-SKCUWOTOSA-N
Target: Somatostatin receptor type 3 (SINGLE PROTEIN), Homo sapiens
UniProt: P32745
Assay: Displacement of [125I]SS-14 from human recombinant SSTR3 expressed in CHO cell membranes incubated for 60 to 90 mins by radioligand binding assay
Measurement: IC50 = 2 nM (pChEMBL 8.699999809265137)
Descriptors: MW 539.58, ALogP 3.74, HBA 9, HBD 3, PSA 135.24, QED 0.3
Compound (SMILES): CCn1cc([C@@]2(c3nn(C)c(=O)o3)N[C@@H](c3nc(-c4ccc(F)cn4)c[nH]3)Cc3c2[nH]c2ccccc32)cn1
InChIKey: RETOYYSEVCBIRN-JIPXPUAJSA-N
Target: Voltage-gated inwardly rectifying potassium channel KCNH2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q12809
Assay: Inhibition of human ERG by Patchexpress patch clamp assay
Measurement: IC50 = 27000 nM (pChEMBL 4.570000171661377)
Descriptors: MW 525.55, ALogP 3.17, HBA 9, HBD 3, PSA 135.24, QED 0.31
Compound (SMILES): CCn1cc(C2(c3nn(C)c(=O)o3)N[C@@H](c3nc(-c4ccc(F)cn4)c[nH]3)Cc3c2[nH]c2ccccc32)cn1
InChIKey: RETOYYSEVCBIRN-XJQHNOHDSA-N
Target: Somatostatin receptor type 3 (SINGLE PROTEIN), Homo sapiens
UniProt: P32745
Assay: Displacement of [125I]SS-14 from human recombinant SSTR3 expressed in CHO cell membranes incubated for 60 to 90 mins by radioligand binding assay
Measurement: IC50 = 24.2 nM (pChEMBL 7.619999885559082)
Descriptors: MW 525.55, ALogP 3.17, HBA 9, HBD 3, PSA 135.24, QED 0.31
Compound (SMILES): CCn1cc(C2(c3nn(C)c(=O)o3)NC(c3nc(-c4ccc(F)cn4)c[nH]3)Cc3c2[nH]c2ccccc32)cn1
InChIKey: RETOYYSEVCBIRN-UHFFFAOYSA-N
Target: Somatostatin receptor type 3 (SINGLE PROTEIN), Homo sapiens
UniProt: P32745
Assay: Displacement of [125I]SS-14 from human recombinant SSTR3 expressed in CHO cell membranes incubated for 60 to 90 mins by radioligand binding assay
Measurement: IC50 = 76.7 nM (pChEMBL 7.119999885559082)
Descriptors: MW 525.55, ALogP 3.17, HBA 9, HBD 3, PSA 135.24, QED 0.31
Compound (SMILES): CCn1cc([C@@]2(c3nn(CC)c(=O)o3)N[C@@H](c3nc(-c4ccc(F)cn4)c[nH]3)Cc3c2[nH]c2ccccc32)cn1
InChIKey: QQLVWLYBRMDMSR-SKCUWOTOSA-N
Target: Somatostatin receptor type 3 (SINGLE PROTEIN), Homo sapiens
UniProt: P32745
Assay: Displacement of [125I]SS-14 from human recombinant SSTR3 expressed in CHO cell membranes incubated for 60 to 90 mins by radioligand binding assay
Measurement: IC50 = 3 nM (pChEMBL 8.520000457763672)
Descriptors: MW 539.58, ALogP 3.66, HBA 9, HBD 3, PSA 135.24, QED 0.29
Compound (SMILES): CCn1cc([C@@]2(c3nn(C(C)C)c(=O)o3)N[C@@H](c3nc(-c4ccc(F)cn4)c[nH]3)Cc3c2[nH]c2ccccc32)cn1
InChIKey: BGBRPPONHQFLEX-RNWIMVQKSA-N
Target: Somatostatin receptor type 3 (SINGLE PROTEIN), Homo sapiens
UniProt: P32745
Assay: Displacement of [125I]SS-14 from human recombinant SSTR3 expressed in CHO cell membranes incubated for 60 to 90 mins by radioligand binding assay
Measurement: IC50 = 2.1 nM (pChEMBL 8.680000305175781)
Descriptors: MW 553.6, ALogP 4.22, HBA 9, HBD 3, PSA 135.24, QED 0.28
Compound (SMILES): CCn1cc([C@@]2(c3nn(CC4CC4)c(=O)o3)N[C@@H](c3nc(-c4ccc(F)cn4)c[nH]3)Cc3c2[nH]c2ccccc32)cn1
InChIKey: VKFPCWLGMIEMOB-AYWVHJORSA-N
Target: Somatostatin receptor type 3 (SINGLE PROTEIN), Homo sapiens
UniProt: P32745
Assay: Displacement of [125I]SS-14 from human recombinant SSTR3 expressed in CHO cell membranes incubated for 60 to 90 mins by radioligand binding assay
Measurement: IC50 = 1.4 nM (pChEMBL 8.850000381469727)
Descriptors: MW 565.61, ALogP 4.05, HBA 9, HBD 3, PSA 135.24, QED 0.27
Compound (SMILES): CCn1cc([C@@]2(c3nn(CCN(C)C)c(=O)o3)N[C@@H](c3nc(-c4ccc(F)cn4)c[nH]3)Cc3c2[nH]c2ccccc32)cn1
InChIKey: LBSICHKGZQMHLT-AYWVHJORSA-N
Target: Somatostatin receptor type 3 (SINGLE PROTEIN), Homo sapiens
UniProt: P32745
Assay: Displacement of [125I]SS-14 from human recombinant SSTR3 expressed in CHO cell membranes incubated for 60 to 90 mins by radioligand binding assay
Measurement: IC50 = 2.1 nM (pChEMBL 8.680000305175781)
Descriptors: MW 582.64, ALogP 3.2, HBA 10, HBD 3, PSA 138.48, QED 0.25
Compound (SMILES): CCn1cc([C@@]2(c3nn(CC(=O)O)c(=O)o3)N[C@@H](c3nc(-c4ccc(F)cn4)c[nH]3)Cc3c2[nH]c2ccccc32)cn1
InChIKey: LKUFQCLASPKCNE-LYZGTLIUSA-N
Target: Somatostatin receptor type 3 (SINGLE PROTEIN), Homo sapiens
UniProt: P32745
Assay: Displacement of [125I]SS-14 from human recombinant SSTR3 expressed in CHO cell membranes incubated for 60 to 90 mins by radioligand binding assay
Measurement: IC50 = 4.9 nM (pChEMBL 8.3100004196167)
Descriptors: MW 569.56, ALogP 2.72, HBA 10, HBD 4, PSA 172.54, QED 0.23
Compound (SMILES): CCn1cc([C@@]2(c3nn(CC(N)=O)c(=O)o3)N[C@@H](c3nc(-c4ccc(F)cn4)c[nH]3)Cc3c2[nH]c2ccccc32)cn1
InChIKey: UDNHVXSMHHOEBX-LYZGTLIUSA-N
Target: Somatostatin receptor type 3 (SINGLE PROTEIN), Homo sapiens
UniProt: P32745
Assay: Displacement of [125I]SS-14 from human recombinant SSTR3 expressed in CHO cell membranes incubated for 60 to 90 mins by radioligand binding assay
Measurement: IC50 = 2.4 nM (pChEMBL 8.619999885559082)
Descriptors: MW 568.57, ALogP 2.12, HBA 10, HBD 4, PSA 178.33, QED 0.23
Compound (SMILES): NS(=O)(=O)c1ccc(NC(=O)Nc2ccc3ccccc3c2)cc1
InChIKey: MRAZPSFULWPLCR-UHFFFAOYSA-N
Target: Carbonic anhydrase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P00918
Assay: Inhibition of carbonic anhydrase-2 (unknown origin) incubated for 15 mins prior to testing by stopped-flow CO2 hydration assay
Measurement: Ki = 2.6 nM (pChEMBL 8.59000015258789)
Descriptors: MW 341.39, ALogP 3.13, HBA 3, HBD 3, PSA 101.29, QED 0.68
Compound (SMILES): CC(C)Oc1cccc(NC(=O)Nc2ccc(S(N)(=O)=O)cc2)c1
InChIKey: CMMKZTOAXHALOB-UHFFFAOYSA-N
Target: Carbonic anhydrase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P00918
Assay: Inhibition of carbonic anhydrase-2 (unknown origin) incubated for 15 mins prior to testing by stopped-flow CO2 hydration assay
Measurement: Ki = 3.9 nM (pChEMBL 8.40999984741211)
Descriptors: MW 349.41, ALogP 2.77, HBA 4, HBD 3, PSA 110.52, QED 0.77
Compound (SMILES): CC(C)c1cccc(NC(=O)Nc2ccc(S(N)(=O)=O)cc2)c1
InChIKey: HEODBMCOCFKBOO-UHFFFAOYSA-N
Target: Carbonic anhydrase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P00918
Assay: Inhibition of carbonic anhydrase-2 (unknown origin) incubated for 15 mins prior to testing by stopped-flow CO2 hydration assay
Measurement: Ki = 0.3 nM (pChEMBL 9.520000457763672)
Descriptors: MW 333.41, ALogP 3.1, HBA 3, HBD 3, PSA 101.29, QED 0.8
Compound (SMILES): NS(=O)(=O)c1ccc(NC(=O)Nc2ccc(F)c(Cl)c2)cc1
InChIKey: XSDXWXAYRXCIHD-UHFFFAOYSA-N
Target: Carbonic anhydrase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P00918
Assay: Inhibition of carbonic anhydrase-2 (unknown origin) incubated for 15 mins prior to testing by stopped-flow CO2 hydration assay
Measurement: Ki = 2.7 nM (pChEMBL 8.569999694824219)
Descriptors: MW 343.77, ALogP 2.77, HBA 3, HBD 3, PSA 101.29, QED 0.8
Compound (SMILES): Cc1ccc(NC(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1Cl
InChIKey: IXQXVWVBCGRFAX-UHFFFAOYSA-N
Target: Carbonic anhydrase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P00918
Assay: Inhibition of carbonic anhydrase-2 (unknown origin) incubated for 15 mins prior to testing by stopped-flow CO2 hydration assay
Measurement: Ki = 0.77 nM (pChEMBL 9.109999656677246)
Descriptors: MW 339.8, ALogP 2.94, HBA 3, HBD 3, PSA 101.29, QED 0.8
Compound (SMILES): COc1ccc(-c2cc(CNc3ccc(S(=O)(=O)Nc4nnc(C)s4)cc3)cc(C(=O)NCCc3ccccc3F)c2)cn1
InChIKey: VZZBNVUECPZBOU-UHFFFAOYSA-N
Target: Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (SINGLE PROTEIN), Homo sapiens
UniProt: P42336
Assay: Inhibition of PI3Kalpha H1047R mutant (unknown origin)
Measurement: IC50 = 13 nM (pChEMBL 7.889999866485596)
Descriptors: MW 632.74, ALogP 5.44, HBA 9, HBD 3, PSA 135.2, QED 0.17
Compound (SMILES): COc1ccc(-c2cc(CNc3ccc(S(=O)(=O)Nc4nnc(C)s4)cc3)cc(C(=O)NCCC(C)C)c2)cn1
InChIKey: QMIQVDXYVLMLBH-UHFFFAOYSA-N
Target: Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (SINGLE PROTEIN), Homo sapiens
UniProt: P42336
Assay: Inhibition of PI3Kalpha H1047R mutant (unknown origin)
Measurement: IC50 = 11 nM (pChEMBL 7.960000038146973)
Descriptors: MW 580.74, ALogP 5.11, HBA 9, HBD 3, PSA 135.2, QED 0.21
Compound (SMILES): COC(=O)c1cc(I)cc(CNc2ccc(S(=O)(=O)Nc3nnc(C)s3)cc2)c1
InChIKey: FIXBIMGUDDIXEI-UHFFFAOYSA-N
Target: Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (SINGLE PROTEIN), Homo sapiens
UniProt: P42336
Assay: Inhibition of PI3Kalpha H1047R mutant (unknown origin)
Measurement: IC50 = 13000 nM (pChEMBL 4.889999866485596)
Descriptors: MW 544.4, ALogP 3.65, HBA 8, HBD 2, PSA 110.28, QED 0.35
Compound (SMILES): COC(=O)c1cc(CNc2ccc(S(=O)(=O)Nc3nnc(C)s3)cc2)cc(-c2ccc(OC)nc2)c1
InChIKey: MLSXVXDQWQAGPB-UHFFFAOYSA-N
Target: Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (SINGLE PROTEIN), Homo sapiens
UniProt: P42336
Assay: Inhibition of PI3Kalpha H1047R mutant (unknown origin)
Measurement: IC50 = 30 nM (pChEMBL 7.519999980926514)
Descriptors: MW 525.61, ALogP 4.12, HBA 10, HBD 2, PSA 132.4, QED 0.31
Compound (SMILES): COc1ccc(-c2cc(CNc3ccc(S(=O)(=O)Nc4nnc(C)s4)cc3)cc(C(=O)O)c2)cn1
InChIKey: CBZPCOUPBNLTKW-UHFFFAOYSA-N
Target: Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (SINGLE PROTEIN), Homo sapiens
UniProt: P42336
Assay: Inhibition of PI3Kalpha H1047R mutant (unknown origin)
Measurement: IC50 = 8.5 nM (pChEMBL 8.069999694824219)
Descriptors: MW 511.59, ALogP 4.03, HBA 9, HBD 3, PSA 143.4, QED 0.3
Compound (SMILES): COc1ccc(-c2cccc(CNc3ccc(S(=O)(=O)Nc4nnc(C)s4)cc3)c2)cn1
InChIKey: YJOJBHARNPIBLK-UHFFFAOYSA-N
Target: Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (SINGLE PROTEIN), Homo sapiens
UniProt: P42336
Assay: Inhibition of wild type his-tagged PI3Kalpha (unknown origin)
Measurement: IC50 = 102 nM (pChEMBL 6.989999771118164)
Descriptors: MW 467.58, ALogP 4.33, HBA 8, HBD 2, PSA 106.1, QED 0.4
Compound (SMILES): Cc1nnc(NS(=O)(=O)c2ccc(NCc3cc(C(=O)O)cc(-c4ccc5c(c4)OCCO5)c3)cc2)s1
InChIKey: CTMXQXVWTYALGC-UHFFFAOYSA-N
Target: Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (SINGLE PROTEIN), Homo sapiens
UniProt: P42336
Assay: Inhibition of wild type his-tagged PI3Kalpha (unknown origin)
Measurement: IC50 = 12.6 nM (pChEMBL 7.900000095367432)
Descriptors: MW 538.61, ALogP 4.4, HBA 9, HBD 3, PSA 139.74, QED 0.3
Compound (SMILES): Cc1nnc(NS(=O)(=O)c2ccc(NCc3cc(C(=O)O)cc(-c4ccc5c(c4)OCO5)c3)cc2)s1
InChIKey: OVCRHCLTBHCCBW-UHFFFAOYSA-N
Target: Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (SINGLE PROTEIN), Homo sapiens
UniProt: P42336
Assay: Inhibition of wild type his-tagged PI3Kalpha (unknown origin)
Measurement: IC50 = 39.8 nM (pChEMBL 7.400000095367432)
Descriptors: MW 524.58, ALogP 4.35, HBA 9, HBD 3, PSA 139.74, QED 0.31
Compound (SMILES): COc1ccc(-c2cc(CNc3ccc(S(=O)(=O)N(C)c4nnc(C)s4)cc3)cc(C(=O)NCCc3ccccc3F)c2)cn1
InChIKey: SVSDZFYNALLIFG-UHFFFAOYSA-N
Target: Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (SINGLE PROTEIN), Homo sapiens
UniProt: P42336
Assay: Inhibition of wild type his-tagged PI3Kalpha (unknown origin)
Measurement: IC50 = 2000 nM (pChEMBL 5.699999809265137)
Descriptors: MW 646.77, ALogP 5.47, HBA 9, HBD 2, PSA 126.41, QED 0.18
Compound (SMILES): COc1ccc(-c2cc(CNc3ccc(S(=O)(=O)Nc4nnc(C)s4)cc3)cc(C(=O)NC(CO)CO)c2)cn1
InChIKey: IMIPCVCEURKASE-UHFFFAOYSA-N
Target: Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (SINGLE PROTEIN), Homo sapiens
UniProt: P42336
Assay: Inhibition of wild type his-tagged PI3Kalpha (unknown origin)
Measurement: IC50 = 16 nM (pChEMBL 7.800000190734863)
Descriptors: MW 584.68, ALogP 2.41, HBA 11, HBD 5, PSA 175.66, QED 0.17
Compound (SMILES): O=S(=O)(Nc1ccc(F)c(C#Cc2cnc3[nH]ncc3c2)c1F)c1ccccc1
InChIKey: XWZBNSFNTCQVII-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase B-raf (SINGLE PROTEIN), Homo sapiens
UniProt: P15056
Assay: Inhibition of human recombinant B-Raf V600E mutant by FRET-based Z'-lyte assay
Measurement: IC50 = 149 nM (pChEMBL 6.829999923706055)
Descriptors: MW 410.41, ALogP 3.44, HBA 4, HBD 2, PSA 87.74, QED 0.51
Compound (SMILES): O=S(=O)(Nc1ccc(F)c(C#Cc2cnc3[nH]ncc3c2)c1F)c1ccccc1F
InChIKey: ZSNCKPLYEUNIMY-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase B-raf (SINGLE PROTEIN), Homo sapiens
UniProt: P15056
Assay: Inhibition of human recombinant B-Raf V600E mutant by FRET-based Z'-lyte assay
Measurement: IC50 = 177 nM (pChEMBL 6.75)
Descriptors: MW 428.39, ALogP 3.58, HBA 4, HBD 2, PSA 87.74, QED 0.49
Compound (SMILES): O=S(=O)(Nc1ccc(F)c(C#Cc2cnc3[nH]ncc3c2)c1F)c1cccc(F)c1
InChIKey: HBJGQDFVZLTVDA-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase B-raf (SINGLE PROTEIN), Homo sapiens
UniProt: P15056
Assay: Inhibition of human recombinant B-Raf V600E mutant by FRET-based Z'-lyte assay
Measurement: IC50 = 68 nM (pChEMBL 7.170000076293945)
Descriptors: MW 428.39, ALogP 3.58, HBA 4, HBD 2, PSA 87.74, QED 0.49
Compound (SMILES): O=S(=O)(Nc1ccc(F)c(C#Cc2cnc3[nH]ncc3c2)c1F)c1ccc(F)cc1
InChIKey: OVZUWMSLWUONJX-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase B-raf (SINGLE PROTEIN), Homo sapiens
UniProt: P15056
Assay: Inhibition of human recombinant B-Raf V600E mutant by FRET-based Z'-lyte assay
Measurement: IC50 = 917 nM (pChEMBL 6.039999961853027)
Descriptors: MW 428.39, ALogP 3.58, HBA 4, HBD 2, PSA 87.74, QED 0.49
Compound (SMILES): O=S(=O)(Nc1ccc(F)c(C#Cc2cnc3[nH]ncc3c2)c1F)c1ccccn1
InChIKey: IQMAIRGDVISVMU-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase B-raf (SINGLE PROTEIN), Homo sapiens
UniProt: P15056
Assay: Inhibition of human recombinant B-Raf V600E mutant by FRET-based Z'-lyte assay
Measurement: IC50 = 593 nM (pChEMBL 6.230000019073486)
Descriptors: MW 411.39, ALogP 2.83, HBA 5, HBD 2, PSA 100.63, QED 0.51
Compound (SMILES): O=S(=O)(Nc1ccc(F)c(C#Cc2cnc3[nH]ncc3c2)c1F)c1cccnc1
InChIKey: SSOPSBQSYPGIAA-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase B-raf (SINGLE PROTEIN), Homo sapiens
UniProt: P15056
Assay: Inhibition of human recombinant B-Raf V600E mutant by FRET-based Z'-lyte assay
Measurement: IC50 = 51 nM (pChEMBL 7.289999961853027)
Descriptors: MW 411.39, ALogP 2.83, HBA 5, HBD 2, PSA 100.63, QED 0.51
Compound (SMILES): O=S(=O)(Nc1ccc(F)c(C#Cc2cnc3[nH]ccc3c2)c1F)c1cccnc1
InChIKey: SMIMLMDRZYUPAN-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase B-raf (SINGLE PROTEIN), Homo sapiens
UniProt: P15056
Assay: Inhibition of human recombinant B-Raf V600E mutant by FRET-based Z'-lyte assay
Measurement: IC50 = 48 nM (pChEMBL 7.320000171661377)
Descriptors: MW 410.41, ALogP 3.44, HBA 4, HBD 2, PSA 87.74, QED 0.51
Compound (SMILES): O=S(=O)(Nc1ccc(F)c(C#Cc2ccc3[nH]ncc3c2)c1F)c1cccnc1
InChIKey: OHFQSPNVOAYQQX-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase B-raf (SINGLE PROTEIN), Homo sapiens
UniProt: P15056
Assay: Inhibition of human recombinant B-Raf V600E mutant by FRET-based Z'-lyte assay
Measurement: IC50 = 4310 nM (pChEMBL 5.369999885559082)
Descriptors: MW 410.41, ALogP 3.44, HBA 4, HBD 2, PSA 87.74, QED 0.51
Compound (SMILES): O=S(=O)(Nc1ccc(F)c(C#Cc2cnc3ccnn3c2)c1F)c1cccnc1
InChIKey: CBGJZIAUYLUGFE-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase B-raf (SINGLE PROTEIN), Homo sapiens
UniProt: P15056
Assay: Inhibition of human recombinant B-Raf V600E mutant by FRET-based Z'-lyte assay
Measurement: IC50 = 533 nM (pChEMBL 6.269999980926514)
Descriptors: MW 411.39, ALogP 2.6, HBA 6, HBD 1, PSA 89.25, QED 0.52
Compound (SMILES): COc1n[nH]c2ncc(C#Cc3c(F)ccc(NS(=O)(=O)c4cccnc4)c3F)cc12
InChIKey: XFXIISXNIPIZIZ-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase B-raf (SINGLE PROTEIN), Homo sapiens
UniProt: P15056
Assay: Inhibition of human recombinant B-Raf V600E mutant by FRET-based Z'-lyte assay
Measurement: IC50 = 17 nM (pChEMBL 7.769999980926514)
Descriptors: MW 441.42, ALogP 2.84, HBA 6, HBD 2, PSA 109.86, QED 0.47
Compound (SMILES): CCOc1n[nH]c2ncc(C#Cc3c(F)ccc(NS(=O)(=O)c4cccnc4)c3F)cc12
InChIKey: PNHLZOKSEBWVOX-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase B-raf (SINGLE PROTEIN), Homo sapiens
UniProt: P15056
Assay: Inhibition of human recombinant B-Raf V600E mutant by FRET-based Z'-lyte assay
Measurement: IC50 = 122 nM (pChEMBL 6.909999847412109)
Descriptors: MW 455.45, ALogP 3.23, HBA 6, HBD 2, PSA 109.86, QED 0.45
Compound (SMILES): Cc1n[nH]c2ncc(C#Cc3c(F)ccc(NS(=O)(=O)c4cccnc4)c3F)cc12
InChIKey: XGYFNELDYNKIEO-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase B-raf (SINGLE PROTEIN), Homo sapiens
UniProt: P15056
Assay: Inhibition of human recombinant B-Raf V600E mutant by FRET-based Z'-lyte assay
Measurement: IC50 = 25 nM (pChEMBL 7.599999904632568)
Descriptors: MW 425.42, ALogP 3.14, HBA 5, HBD 2, PSA 100.63, QED 0.49
Compound (SMILES): O=S(=O)(Nc1ccc(F)c(C#Cc2cnc3[nH]nc(C4CC4)c3c2)c1F)c1cccnc1
InChIKey: QHFQFWYLROSXCZ-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase B-raf (SINGLE PROTEIN), Homo sapiens
UniProt: P15056
Assay: Inhibition of human recombinant B-Raf V600E mutant by FRET-based Z'-lyte assay
Measurement: IC50 = 10 nM (pChEMBL 8)
Descriptors: MW 451.46, ALogP 3.71, HBA 5, HBD 2, PSA 100.63, QED 0.46
Compound (SMILES): O=S(=O)(Nc1ccc(F)c(C#Cc2cnc3[nH]nc(-c4ccccc4)c3c2)c1F)c1cccnc1
InChIKey: KTIRIPLXMLHBBU-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase B-raf (SINGLE PROTEIN), Homo sapiens
UniProt: P15056
Assay: Inhibition of human recombinant B-Raf V600E mutant by FRET-based Z'-lyte assay
Measurement: IC50 = 16 nM (pChEMBL 7.800000190734863)
Descriptors: MW 487.49, ALogP 4.5, HBA 5, HBD 2, PSA 100.63, QED 0.36
Compound (SMILES): O=S(=O)(Nc1ccc(F)c(C#Cc2cnc3[nH]nc(-c4ccncc4)c3c2)c1F)c1cccnc1
InChIKey: XDTVEDUDDFICMG-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase B-raf (SINGLE PROTEIN), Homo sapiens
UniProt: P15056
Assay: Inhibition of human recombinant B-Raf V600E mutant by FRET-based Z'-lyte assay
Measurement: IC50 = 3 nM (pChEMBL 8.520000457763672)
Descriptors: MW 488.48, ALogP 3.89, HBA 6, HBD 2, PSA 113.52, QED 0.37
Compound (SMILES): O=S(=O)(Nc1ccc(F)c(C#Cc2cnc3[nH]nc(-c4ccccc4Cl)c3c2)c1F)c1cccnc1
InChIKey: YBBCRBQMANVTPM-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase B-raf (SINGLE PROTEIN), Homo sapiens
UniProt: P15056
Assay: Inhibition of human recombinant B-Raf V600E mutant by FRET-based Z'-lyte assay
Measurement: IC50 = 131 nM (pChEMBL 6.880000114440918)
Descriptors: MW 521.94, ALogP 5.15, HBA 5, HBD 2, PSA 100.63, QED 0.32
Compound (SMILES): O=S(=O)(Nc1ccc(F)c(C#Cc2cnc3[nH]nc(-c4cccc(Cl)c4)c3c2)c1F)c1cccnc1
InChIKey: GVNURFFMXXNZAQ-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase B-raf (SINGLE PROTEIN), Homo sapiens
UniProt: P15056
Assay: Inhibition of human recombinant B-Raf V600E mutant by FRET-based Z'-lyte assay
Measurement: IC50 = 107 nM (pChEMBL 6.96999979019165)
Descriptors: MW 521.94, ALogP 5.15, HBA 5, HBD 2, PSA 100.63, QED 0.32
Compound (SMILES): O=S(=O)(Nc1ccc(F)c(C#Cc2cnc3[nH]nc(-c4ccc(Cl)cc4)c3c2)c1F)c1cccnc1
InChIKey: HJYQHYRYGCMEJS-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase B-raf (SINGLE PROTEIN), Homo sapiens
UniProt: P15056
Assay: Inhibition of human recombinant B-Raf V600E mutant by FRET-based Z'-lyte assay
Measurement: IC50 = 21 nM (pChEMBL 7.679999828338623)
Descriptors: MW 521.94, ALogP 5.15, HBA 5, HBD 2, PSA 100.63, QED 0.32
Compound (SMILES): O=S(=O)(Nc1ccc(F)c(C#Cc2cnc3[nH]nc(-c4ccc(F)cc4)c3c2)c1F)c1cccnc1
InChIKey: BMIRKZGQCVLNBO-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase B-raf (SINGLE PROTEIN), Homo sapiens
UniProt: P15056
Assay: Inhibition of human recombinant B-Raf V600E mutant by FRET-based Z'-lyte assay
Measurement: IC50 = 11 nM (pChEMBL 7.960000038146973)
Descriptors: MW 505.48, ALogP 4.64, HBA 5, HBD 2, PSA 100.63, QED 0.35
Compound (SMILES): [11CH3]n1cc(C2=C(c3ccc(Cl)cc3Cl)C(=O)NC2=O)c2ccccc21
InChIKey: JCSGFHVFHSKIJH-BJUDXGSMSA-N
Target: Glycogen synthase kinase-3 alpha (SINGLE PROTEIN), Homo sapiens
UniProt: P49840
Assay: Competitive inhibition of full length recombinant human GSK-3alpha expressed in baculovirus infected insect Sf9 cells using GS-2 peptide as substrate assessed as 33P incorporation into substrate peptide after 30 mins by beta scintillation counting analysis in presence of [33P]gamma-ATP
Measurement: Ki = 9 nM (pChEMBL 8.050000190734863)
Descriptors: MW 371.22, ALogP 4.05, HBA 3, HBD 1, PSA 51.1, QED 0.69
Compound (SMILES): CCc1ccc(/C=C(\C#N)C(=O)O)cc1
InChIKey: QRDHGGUIGSKAKC-YRNVUSSQSA-N
Target: Monocarboxylate transporter 1 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P53987
Assay: Inhibition of MCT1-mediated lactate transport in rat RBE4 cells incubated for 15 mins by [14C]-lactate uptake assay
Measurement: IC50 = 500 nM (pChEMBL 6.300000190734863)
Descriptors: MW 201.22, ALogP 2.24, HBA 2, HBD 1, PSA 61.09, QED 0.6
Compound (SMILES): N#C/C(=C\c1ccc(Cl)cc1)C(=O)O
InChIKey: MXCRRKYUQNHWLJ-VMPITWQZSA-N
Target: Monocarboxylate transporter 1 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P53987
Assay: Inhibition of MCT1-mediated lactate transport in rat RBE4 cells incubated for 15 mins by [14C]-lactate uptake assay
Measurement: IC50 = 500 nM (pChEMBL 6.300000190734863)
Descriptors: MW 207.62, ALogP 2.33, HBA 2, HBD 1, PSA 61.09, QED 0.6
Compound (SMILES): N#C/C(=C\c1ccc(Br)cc1)C(=O)O
InChIKey: REWONLOPJHWIMK-VMPITWQZSA-N
Target: Monocarboxylate transporter 1 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P53987
Assay: Inhibition of MCT1-mediated lactate transport in rat RBE4 cells incubated for 15 mins by [14C]-lactate uptake assay
Measurement: IC50 = 500 nM (pChEMBL 6.300000190734863)
Descriptors: MW 252.07, ALogP 2.44, HBA 2, HBD 1, PSA 61.09, QED 0.65
Compound (SMILES): N#C/C(=C\c1ccc(C#N)cc1)C(=O)O
InChIKey: YYLUJSBONROLKZ-BJMVGYQFSA-N
Target: Monocarboxylate transporter 1 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P53987
Assay: Inhibition of MCT1-mediated lactate transport in rat RBE4 cells incubated for 15 mins by [14C]-lactate uptake assay
Measurement: IC50 = 500 nM (pChEMBL 6.300000190734863)
Descriptors: MW 198.18, ALogP 1.55, HBA 3, HBD 1, PSA 84.88, QED 0.58
Compound (SMILES): N#C/C(=C\c1ccc2c(c1)OCO2)C(=O)O
InChIKey: LJKHUTHWDPAAIA-FPYGCLRLSA-N
Target: Monocarboxylate transporter 1 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P53987
Assay: Inhibition of MCT1-mediated lactate transport in rat RBE4 cells incubated for 15 mins by [14C]-lactate uptake assay
Measurement: IC50 = 500 nM (pChEMBL 6.300000190734863)
Descriptors: MW 217.18, ALogP 1.41, HBA 4, HBD 1, PSA 79.55, QED 0.6
Compound (SMILES): CCN(CC)c1ccc(/C=C(\C#N)C(=O)O)cc1
InChIKey: YPUZCMVSMPWSKU-FMIVXFBMSA-N
Target: Monocarboxylate transporter 1 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P53987
Assay: Inhibition of MCT1-mediated lactate transport in rat RBE4 cells incubated for 15 mins by [14C]-lactate uptake assay
Measurement: IC50 = 70 nM (pChEMBL 7.159999847412109)
Descriptors: MW 244.29, ALogP 2.52, HBA 3, HBD 1, PSA 64.33, QED 0.64
Compound (SMILES): CCCN(CCC)c1ccc(/C=C(\C#N)C(=O)O)cc1
InChIKey: YQCVBWWKEILZCJ-SDNWHVSQSA-N
Target: Monocarboxylate transporter 1 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P53987
Assay: Inhibition of MCT1-mediated lactate transport in rat RBE4 cells incubated for 15 mins by [14C]-lactate uptake assay
Measurement: IC50 = 10 nM (pChEMBL 8)
Descriptors: MW 272.35, ALogP 3.3, HBA 3, HBD 1, PSA 64.33, QED 0.61
Compound (SMILES): CCCCN(CCCC)c1ccc(/C=C(\C#N)C(=O)O)cc1
InChIKey: KPYVKQIDGBUMCJ-DTQAZKPQSA-N
Target: Monocarboxylate transporter 1 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P53987
Assay: Inhibition of MCT1-mediated lactate transport in rat RBE4 cells incubated for 15 mins by [14C]-lactate uptake assay
Measurement: IC50 = 30 nM (pChEMBL 7.519999980926514)
Descriptors: MW 300.4, ALogP 4.08, HBA 3, HBD 1, PSA 64.33, QED 0.55
Compound (SMILES): CC(C)CN(CC(C)C)c1ccc(/C=C(\C#N)C(=O)O)cc1
InChIKey: OGFXLFTUQIXIEM-CXUHLZMHSA-N
Target: Monocarboxylate transporter 1 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P53987
Assay: Inhibition of MCT1-mediated lactate transport in rat RBE4 cells incubated for 15 mins by [14C]-lactate uptake assay
Measurement: IC50 = 100 nM (pChEMBL 7)
Descriptors: MW 300.4, ALogP 3.8, HBA 3, HBD 1, PSA 64.33, QED 0.61
Compound (SMILES): CCCCCN(CCCCC)c1ccc(/C=C(\C#N)C(=O)O)cc1
InChIKey: WRMVQBCCLSJRCQ-OBGWFSINSA-N
Target: Monocarboxylate transporter 1 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P53987
Assay: Inhibition of MCT1-mediated lactate transport in rat RBE4 cells incubated for 15 mins by [14C]-lactate uptake assay
Measurement: IC50 = 140 nM (pChEMBL 6.849999904632568)
Descriptors: MW 328.46, ALogP 4.86, HBA 3, HBD 1, PSA 64.33, QED 0.36
Compound (SMILES): CCCCCCN(CCCCCC)c1ccc(/C=C(\C#N)C(=O)O)cc1
InChIKey: NHKITMWAKQWENA-LVZFUZTISA-N
Target: Monocarboxylate transporter 1 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P53987
Assay: Inhibition of MCT1-mediated lactate transport in rat RBE4 cells incubated for 15 mins by [14C]-lactate uptake assay
Measurement: IC50 = 880 nM (pChEMBL 6.059999942779541)
Descriptors: MW 356.51, ALogP 5.65, HBA 3, HBD 1, PSA 64.33, QED 0.28
Compound (SMILES): C=CCN(CC=C)c1ccc(/C=C(\C#N)C(=O)O)cc1
InChIKey: AISGAELWENFDCQ-SDNWHVSQSA-N
Target: Monocarboxylate transporter 1 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P53987
Assay: Inhibition of MCT1-mediated lactate transport in rat RBE4 cells incubated for 15 mins by [14C]-lactate uptake assay
Measurement: IC50 = 110 nM (pChEMBL 6.960000038146973)
Descriptors: MW 268.32, ALogP 2.86, HBA 3, HBD 1, PSA 64.33, QED 0.47
Compound (SMILES): C#CCN(CC#C)c1ccc(/C=C(\C#N)C(=O)O)cc1
InChIKey: YOJPLQRGAYWLBC-SDNWHVSQSA-N
Target: Monocarboxylate transporter 1 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P53987
Assay: Inhibition of MCT1-mediated lactate transport in rat RBE4 cells incubated for 15 mins by [14C]-lactate uptake assay
Measurement: IC50 = 400 nM (pChEMBL 6.400000095367432)
Descriptors: MW 264.28, ALogP 1.75, HBA 3, HBD 1, PSA 64.33, QED 0.5
Compound (SMILES): N#C/C(=C\c1ccc(N(c2ccccc2)c2ccccc2)cc1)C(=O)O
InChIKey: DTGGJUIFYJXAJI-OBGWFSINSA-N
Target: Monocarboxylate transporter 1 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P53987
Assay: Inhibition of MCT1-mediated lactate transport in rat RBE4 cells incubated for 15 mins by [14C]-lactate uptake assay
Measurement: IC50 = 30 nM (pChEMBL 7.519999980926514)
Descriptors: MW 340.38, ALogP 5.15, HBA 3, HBD 1, PSA 64.33, QED 0.52
Compound (SMILES): N#C/C(=C\c1ccc(N2CCCC2)cc1)C(=O)O
InChIKey: WSOGLEOJLSVLQF-FMIVXFBMSA-N
Target: Monocarboxylate transporter 1 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P53987
Assay: Inhibition of MCT1-mediated lactate transport in rat RBE4 cells incubated for 15 mins by [14C]-lactate uptake assay
Measurement: IC50 = 70 nM (pChEMBL 7.159999847412109)
Descriptors: MW 242.28, ALogP 2.28, HBA 3, HBD 1, PSA 64.33, QED 0.65
Compound (SMILES): N#C/C(=C\c1ccc(N2CCCCC2)cc1)C(=O)O
InChIKey: JADPBIFXTKFCDU-JLHYYAGUSA-N
Target: Monocarboxylate transporter 1 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P53987
Assay: Inhibition of MCT1-mediated lactate transport in rat RBE4 cells incubated for 15 mins by [14C]-lactate uptake assay
Measurement: IC50 = 140 nM (pChEMBL 6.849999904632568)
Descriptors: MW 256.3, ALogP 2.67, HBA 3, HBD 1, PSA 64.33, QED 0.67
Compound (SMILES): CCCN(CCC)c1ccc(/C=C(\C#N)C(=O)O)c(OC)c1
InChIKey: UDXYJPQQUFVRCJ-GXDHUFHOSA-N
Target: Monocarboxylate transporter 1 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P53987
Assay: Inhibition of MCT1-mediated lactate transport in rat RBE4 cells incubated for 15 mins by [14C]-lactate uptake assay
Measurement: IC50 = 12 nM (pChEMBL 7.920000076293945)
Descriptors: MW 302.37, ALogP 3.31, HBA 4, HBD 1, PSA 73.56, QED 0.59
Compound (SMILES): CCCCN(CCCC)c1ccc(/C=C(\C#N)C(=O)O)c(OC)c1
InChIKey: GDFPRWXAPVVXKC-FOWTUZBSSA-N
Target: Monocarboxylate transporter 1 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P53987
Assay: Inhibition of MCT1-mediated lactate transport in rat RBE4 cells incubated for 15 mins by [14C]-lactate uptake assay
Measurement: IC50 = 9 nM (pChEMBL 8.050000190734863)
Descriptors: MW 330.43, ALogP 4.09, HBA 4, HBD 1, PSA 73.56, QED 0.52
Compound (SMILES): COc1cc(N(CC(C)C)CC(C)C)ccc1/C=C(\C#N)C(=O)O
InChIKey: AZQDXDSMYKUVFI-LZYBPNLTSA-N
Target: Monocarboxylate transporter 1 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P53987
Assay: Inhibition of MCT1-mediated lactate transport in rat RBE4 cells incubated for 15 mins by [14C]-lactate uptake assay
Measurement: IC50 = 11 nM (pChEMBL 7.960000038146973)
Descriptors: MW 330.43, ALogP 3.81, HBA 4, HBD 1, PSA 73.56, QED 0.58