lovingscience/chembl-v37-raw-activities huggingface dataset:
Compound (SMILES): N#Cc1cc(S(=O)(=O)Nc2nccs2)ccc1Oc1ccc(Cl)cc1-c1cccnc1
InChIKey: SHBRVNZICQDWLO-UHFFFAOYSA-N
Target: Sodium channel protein type 9 subunit alpha (SINGLE PROTEIN), Homo sapiens
UniProt: Q15858
Assay: Inhibition of NaV1.7 ion channel (unknown origin)
Measurement: IC50 = 57 nM (pChEMBL 7.239999771118164)
Descriptors: MW 468.95, ALogP 5.32, HBA 7, HBD 1, PSA 104.97, QED 0.41
Compound (SMILES): N#Cc1cc(S(=O)(=O)Nc2nccs2)ccc1Oc1ccc(F)cc1-c1cccc(CCO)c1
InChIKey: GJVNRGANHDTGDZ-UHFFFAOYSA-N
Target: Sodium channel protein type 9 subunit alpha (SINGLE PROTEIN), Homo sapiens
UniProt: Q15858
Assay: Inhibition of NaV1.7 ion channel (unknown origin)
Measurement: IC50 = 60.01 nM (pChEMBL 7.21999979019165)
Descriptors: MW 495.56, ALogP 4.95, HBA 7, HBD 2, PSA 112.31, QED 0.36
Compound (SMILES): COCc1cccc(-c2cc(F)ccc2Oc2ccc(S(=O)(=O)Nc3nccs3)cc2C#N)c1
InChIKey: MNOBEVUFZIJERX-UHFFFAOYSA-N
Target: Sodium channel protein type 9 subunit alpha (SINGLE PROTEIN), Homo sapiens
UniProt: Q15858
Assay: Inhibition of NaV1.7 ion channel (unknown origin)
Measurement: IC50 = 60.01 nM (pChEMBL 7.21999979019165)
Descriptors: MW 495.56, ALogP 5.56, HBA 7, HBD 1, PSA 101.31, QED 0.34
Compound (SMILES): Cc1ccc(Oc2ccc(S(=O)(=O)Nc3nccs3)cc2F)c(-c2ccnn2C)c1
InChIKey: TZDSNPWMACDHNP-UHFFFAOYSA-N
Target: Sodium channel protein type 9 subunit alpha (SINGLE PROTEIN), Homo sapiens
UniProt: Q15858
Assay: Inhibition of NaV1.7 ion channel (unknown origin)
Measurement: IC50 = 60.01 nM (pChEMBL 7.21999979019165)
Descriptors: MW 444.51, ALogP 4.58, HBA 7, HBD 1, PSA 86.11, QED 0.47
Compound (SMILES): O=S(=O)(Nc1nncs1)c1cc(Cl)c(Oc2ccc(Cl)cc2-c2cccc(CN3CCC3)n2)cc1F
InChIKey: SCPXFIBBBWHCMF-UHFFFAOYSA-N
Target: Sodium channel protein type 9 subunit alpha (SINGLE PROTEIN), Homo sapiens
UniProt: Q15858
Assay: Inhibition of NaV1.7 ion channel (unknown origin)
Measurement: IC50 = 62.99 nM (pChEMBL 7.199999809265137)
Descriptors: MW 566.47, ALogP 5.84, HBA 8, HBD 1, PSA 97.31, QED 0.29
Compound (SMILES): CC(C)Cc1ccc(Oc2ccc(S(=O)(=O)Nc3nccs3)cc2F)c(-c2ccnn2C)c1
InChIKey: WOACARCCPGKEHZ-UHFFFAOYSA-N
Target: Sodium channel protein type 9 subunit alpha (SINGLE PROTEIN), Homo sapiens
UniProt: Q15858
Assay: Inhibition of NaV1.7 ion channel (unknown origin)
Measurement: IC50 = 64 nM (pChEMBL 7.190000057220459)
Descriptors: MW 486.59, ALogP 5.47, HBA 7, HBD 1, PSA 86.11, QED 0.36
Compound (SMILES): Cn1nccc1-c1ccc(F)cc1Oc1ccc(S(=O)(=O)Nc2nccs2)cc1C#N
InChIKey: HLHKFHHLNCVELQ-UHFFFAOYSA-N
Target: Sodium channel protein type 9 subunit alpha (SINGLE PROTEIN), Homo sapiens
UniProt: Q15858
Assay: Inhibition of NaV1.7 ion channel (unknown origin)
Measurement: IC50 = 65.99 nM (pChEMBL 7.179999828338623)
Descriptors: MW 455.5, ALogP 4.15, HBA 8, HBD 1, PSA 109.9, QED 0.47
Compound (SMILES): Cc1ccc(-c2ccnn2C)c(Oc2ccc(S(=O)(=O)Nc3nccs3)cc2C#N)c1
InChIKey: NMFJXUQEFIMJAO-UHFFFAOYSA-N
Target: Sodium channel protein type 9 subunit alpha (SINGLE PROTEIN), Homo sapiens
UniProt: Q15858
Assay: Inhibition of NaV1.7 ion channel (unknown origin)
Measurement: IC50 = 65.99 nM (pChEMBL 7.179999828338623)
Descriptors: MW 451.53, ALogP 4.32, HBA 8, HBD 1, PSA 109.9, QED 0.47
Compound (SMILES): Nc1cc(-c2cc(Cl)ccc2Oc2cc(F)c(S(=O)(=O)Nc3ncccn3)cc2Cl)ccn1
InChIKey: MKPOZUSXBRLWIT-UHFFFAOYSA-N
Target: Sodium channel protein type 9 subunit alpha (SINGLE PROTEIN), Homo sapiens
UniProt: Q15858
Assay: Inhibition of NaV1.7 ion channel (unknown origin)
Measurement: IC50 = 67 nM (pChEMBL 7.170000076293945)
Descriptors: MW 506.35, ALogP 5.16, HBA 7, HBD 2, PSA 120.09, QED 0.37
Compound (SMILES): N#Cc1cc(S(=O)(=O)Nc2ncns2)ccc1Oc1ccccc1-c1cn[nH]c1
InChIKey: LMQDMLQDDCDJKA-UHFFFAOYSA-N
Target: Sodium channel protein type 9 subunit alpha (SINGLE PROTEIN), Homo sapiens
UniProt: Q15858
Assay: Inhibition of NaV1.7 ion channel (unknown origin)
Measurement: IC50 = 67 nM (pChEMBL 7.170000076293945)
Descriptors: MW 424.47, ALogP 3.39, HBA 8, HBD 2, PSA 133.65, QED 0.48
Compound (SMILES): Cn1nccc1-c1cc(OC(F)(F)F)ccc1Oc1ccc(S(=O)(=O)Nc2nccs2)cc1F
InChIKey: CKYIZAOLSPVFJO-UHFFFAOYSA-N
Target: Sodium channel protein type 9 subunit alpha (SINGLE PROTEIN), Homo sapiens
UniProt: Q15858
Assay: Inhibition of NaV1.7 ion channel (unknown origin)
Measurement: IC50 = 68.99 nM (pChEMBL 7.159999847412109)
Descriptors: MW 514.48, ALogP 5.17, HBA 8, HBD 1, PSA 95.34, QED 0.34
Compound (SMILES): CC(C)Oc1cccc(-c2cc(F)ccc2Oc2ccc(S(=O)(=O)Nc3ncns3)cc2C#N)c1
InChIKey: WNBIUCOXSAYTKS-UHFFFAOYSA-N
Target: Sodium channel protein type 9 subunit alpha (SINGLE PROTEIN), Homo sapiens
UniProt: Q15858
Assay: Inhibition of NaV1.7 ion channel (unknown origin)
Measurement: IC50 = 70 nM (pChEMBL 7.159999847412109)
Descriptors: MW 510.57, ALogP 5.6, HBA 8, HBD 1, PSA 114.2, QED 0.33
Compound (SMILES): N#Cc1cc(S(=O)(=O)Nc2nccs2)ccc1Oc1ccc(F)cc1-c1cccc(CO)c1
InChIKey: UTHCLQFQHGWRHG-UHFFFAOYSA-N
Target: Sodium channel protein type 9 subunit alpha (SINGLE PROTEIN), Homo sapiens
UniProt: Q15858
Assay: Inhibition of NaV1.7 ion channel (unknown origin)
Measurement: IC50 = 70 nM (pChEMBL 7.159999847412109)
Descriptors: MW 481.53, ALogP 4.91, HBA 7, HBD 2, PSA 112.31, QED 0.39
Compound (SMILES): N#Cc1cc(S(=O)(=O)Nc2nccs2)ccc1Oc1cc(C(F)(F)F)nn1-c1ccccc1
InChIKey: SAMWLSNZPFYGSS-UHFFFAOYSA-N
Target: Sodium channel protein type 9 subunit alpha (SINGLE PROTEIN), Homo sapiens
UniProt: Q15858
Assay: Inhibition of NaV1.7 ion channel (unknown origin)
Measurement: IC50 = 70 nM (pChEMBL 7.159999847412109)
Descriptors: MW 491.48, ALogP 4.81, HBA 8, HBD 1, PSA 109.9, QED 0.41
Compound (SMILES): Cn1nccc1-c1ccccc1Oc1ccc(S(=O)(=O)Nc2nccs2)cc1C#N
InChIKey: MKSKJVIBSRUWSZ-UHFFFAOYSA-N
Target: Sodium channel protein type 9 subunit alpha (SINGLE PROTEIN), Homo sapiens
UniProt: Q15858
Assay: Inhibition of NaV1.7 ion channel (unknown origin)
Measurement: IC50 = 70 nM (pChEMBL 7.159999847412109)
Descriptors: MW 437.51, ALogP 4.01, HBA 8, HBD 1, PSA 109.9, QED 0.49
Compound (SMILES): Cn1nccc1-c1cc(Cl)ccc1Oc1ccc(S(=O)(=O)Nc2ncc(F)s2)cc1F
InChIKey: DXOBCGUJEVYYCT-UHFFFAOYSA-N
Target: Sodium channel protein type 9 subunit alpha (SINGLE PROTEIN), Homo sapiens
UniProt: Q15858
Assay: Inhibition of NaV1.7 ion channel (unknown origin)
Measurement: IC50 = 70 nM (pChEMBL 7.159999847412109)
Descriptors: MW 482.92, ALogP 5.07, HBA 7, HBD 1, PSA 86.11, QED 0.41
Compound (SMILES): CC(C)(C)n1nc(C(F)(F)F)cc1-c1ccc(Oc2ccc(S(=O)(=O)Nc3nccs3)cc2C#N)cc1
InChIKey: YNKZXKSQZMDGKD-UHFFFAOYSA-N
Target: Sodium channel protein type 9 subunit alpha (SINGLE PROTEIN), Homo sapiens
UniProt: Q15858
Assay: Inhibition of NaV1.7 ion channel (unknown origin)
Measurement: IC50 = 70 nM (pChEMBL 7.159999847412109)
Descriptors: MW 547.58, ALogP 6.25, HBA 8, HBD 1, PSA 109.9, QED 0.31
Compound (SMILES): N#Cc1cc(S(=O)(=O)Nc2nccs2)ccc1Oc1ccc(-c2cc(C(F)(F)F)nn2CCCF)cc1F
InChIKey: SDWQWJHMZVEATC-UHFFFAOYSA-N
Target: Sodium channel protein type 9 subunit alpha (SINGLE PROTEIN), Homo sapiens
UniProt: Q15858
Assay: Inhibition of NaV1.7 ion channel (unknown origin)
Measurement: IC50 = 71.01 nM (pChEMBL 7.150000095367432)
Descriptors: MW 569.54, ALogP 5.99, HBA 8, HBD 1, PSA 109.9, QED 0.25
Compound (SMILES): O=S(=O)(Nc1ncccn1)c1cc(Cl)c(Oc2ccc(Cl)cc2-c2ccnnc2)cc1F
InChIKey: FGAAKBMALGIOKP-UHFFFAOYSA-N
Target: Sodium channel protein type 9 subunit alpha (SINGLE PROTEIN), Homo sapiens
UniProt: Q15858
Assay: Inhibition of NaV1.7 ion channel (unknown origin)
Measurement: IC50 = 71.99 nM (pChEMBL 7.139999866485596)
Descriptors: MW 492.32, ALogP 4.97, HBA 7, HBD 1, PSA 106.96, QED 0.4
Compound (SMILES): CCn1nc(C(F)(F)F)cc1-c1ccc(Oc2ccc(S(=O)(=O)Nc3ncns3)cc2Cl)cc1
InChIKey: NZHIBENTKILBAZ-UHFFFAOYSA-N
Target: Sodium channel protein type 9 subunit alpha (SINGLE PROTEIN), Homo sapiens
UniProt: Q15858
Assay: Inhibition of NaV1.7 ion channel (unknown origin)
Measurement: IC50 = 71.99 nM (pChEMBL 7.139999866485596)
Descriptors: MW 529.95, ALogP 5.69, HBA 8, HBD 1, PSA 99, QED 0.33
Compound (SMILES): N#Cc1cc(S(=O)(=O)Nc2ncc(Cl)s2)ccc1Oc1ccc(OC(F)(F)F)cc1-c1cn[nH]c1
InChIKey: XCMSTLCXHLZGTN-UHFFFAOYSA-N
Target: Sodium channel protein type 9 subunit alpha (SINGLE PROTEIN), Homo sapiens
UniProt: Q15858
Assay: Inhibition of NaV1.7 ion channel (unknown origin)
Measurement: IC50 = 73 nM (pChEMBL 7.139999866485596)
Descriptors: MW 541.92, ALogP 5.55, HBA 8, HBD 2, PSA 129.99, QED 0.31
Compound (SMILES): O=S(=O)(Nc1nncs1)c1cc(Cl)c(Oc2ccc(OC(F)(F)F)cc2-c2ccnnc2)cc1F
InChIKey: YSJQANUVCAUEMF-UHFFFAOYSA-N
Target: Sodium channel protein type 9 subunit alpha (SINGLE PROTEIN), Homo sapiens
UniProt: Q15858
Assay: Inhibition of NaV1.7 ion channel (unknown origin)
Measurement: IC50 = 75.01 nM (pChEMBL 7.119999885559082)
Descriptors: MW 547.9, ALogP 5.28, HBA 9, HBD 1, PSA 116.19, QED 0.31
Compound (SMILES): Cn1nccc1-c1cc(F)ccc1Oc1cc(F)c(S(=O)(=O)Nc2ncns2)cc1Cl
InChIKey: XUOKLXLEFAVUEM-UHFFFAOYSA-N
Target: Sodium channel protein type 9 subunit alpha (SINGLE PROTEIN), Homo sapiens
UniProt: Q15858
Assay: Inhibition of NaV1.7 ion channel (unknown origin)
Measurement: IC50 = 75.01 nM (pChEMBL 7.119999885559082)
Descriptors: MW 483.91, ALogP 4.46, HBA 8, HBD 1, PSA 99, QED 0.43
Compound (SMILES): Cn1nccc1-c1cc(Cl)ccc1Oc1ccc(S(=O)(=O)Nc2ncccn2)cc1Cl
InChIKey: OHDNZYDCRFMTRY-UHFFFAOYSA-N
Target: Sodium channel protein type 9 subunit alpha (SINGLE PROTEIN), Homo sapiens
UniProt: Q15858
Assay: Inhibition of NaV1.7 ion channel (unknown origin)
Measurement: IC50 = 76 nM (pChEMBL 7.119999885559082)
Descriptors: MW 476.35, ALogP 4.78, HBA 7, HBD 1, PSA 99, QED 0.43
Compound (SMILES): Cc1cc(S(=O)(=O)Nc2nncs2)c(F)cc1Oc1ccc(Cl)cc1-c1ccnnc1
InChIKey: FBRWQMJWMLNFLS-UHFFFAOYSA-N
Target: Sodium channel protein type 9 subunit alpha (SINGLE PROTEIN), Homo sapiens
UniProt: Q15858
Assay: Inhibition of NaV1.7 ion channel (unknown origin)
Measurement: IC50 = 77 nM (pChEMBL 7.110000133514404)
Descriptors: MW 477.93, ALogP 4.69, HBA 8, HBD 1, PSA 106.96, QED 0.43
Compound (SMILES): N#Cc1cc(S(=O)(=O)Nc2ncns2)ccc1Oc1ccc(Cl)cc1-c1ccnn1C(F)F
InChIKey: WEVQVAPPFUMBKM-UHFFFAOYSA-N
Target: Sodium channel protein type 9 subunit alpha (SINGLE PROTEIN), Homo sapiens
UniProt: Q15858
Assay: Inhibition of NaV1.7 ion channel (unknown origin)
Measurement: IC50 = 77 nM (pChEMBL 7.110000133514404)
Descriptors: MW 508.92, ALogP 4.91, HBA 9, HBD 1, PSA 122.79, QED 0.38
Compound (SMILES): O=S(=O)(Nc1cscn1)c1cc(Cl)c(Oc2ccc(Cl)cc2-c2cn[nH]c2)cc1F
InChIKey: ZGUXNXIMDOZLHW-UHFFFAOYSA-N
Target: Sodium channel protein type 9 subunit alpha (SINGLE PROTEIN), Homo sapiens
UniProt: Q15858
Assay: Inhibition of NaV1.7 ion channel (unknown origin)
Measurement: IC50 = 77 nM (pChEMBL 7.110000133514404)
Descriptors: MW 485.35, ALogP 5.57, HBA 6, HBD 2, PSA 96.97, QED 0.37
Compound (SMILES): O=S(=O)(Nc1ccncn1)c1cc(Cl)c(Oc2ccc(Cl)cc2C2CCNCC2)cc1F
InChIKey: STNIYZPFOAOQAO-UHFFFAOYSA-N
Target: Sodium channel protein type 9 subunit alpha (SINGLE PROTEIN), Homo sapiens
UniProt: Q15858
Assay: Inhibition of NaV1.7 ion channel (unknown origin)
Measurement: IC50 = 78 nM (pChEMBL 7.110000133514404)
Descriptors: MW 497.38, ALogP 4.98, HBA 6, HBD 2, PSA 93.21, QED 0.5
Compound (SMILES): N#Cc1cc(S(=O)(=O)Nc2nccs2)ccc1Oc1ccc(I)cc1-c1cn[nH]c1
InChIKey: MTCVLWQDCBNERA-UHFFFAOYSA-N
Target: Sodium channel protein type 9 subunit alpha (SINGLE PROTEIN), Homo sapiens
UniProt: Q15858
Assay: Inhibition of NaV1.7 ion channel (unknown origin)
Measurement: IC50 = 78 nM (pChEMBL 7.110000133514404)
Descriptors: MW 549.38, ALogP 4.6, HBA 7, HBD 2, PSA 120.76, QED 0.34
Compound (SMILES): N#Cc1ccc(-c2ccnnc2)c(Oc2cc(F)c(S(=O)(=O)Nc3ncns3)cc2Cl)c1
InChIKey: HTKQMDKIGCUUCM-UHFFFAOYSA-N
Target: Sodium channel protein type 9 subunit alpha (SINGLE PROTEIN), Homo sapiens
UniProt: Q15858
Assay: Inhibition of NaV1.7 ion channel (unknown origin)
Measurement: IC50 = 40 nM (pChEMBL 7.400000095367432)
Descriptors: MW 488.91, ALogP 4.25, HBA 9, HBD 1, PSA 130.75, QED 0.43
Compound (SMILES): O=S(=O)(Nc1nncs1)c1cc(Cl)c(Oc2cc(OC(F)(F)F)ccc2-c2ccnnc2)cc1F
InChIKey: LJVGPJFWWFDHNY-UHFFFAOYSA-N
Target: Sodium channel protein type 9 subunit alpha (SINGLE PROTEIN), Homo sapiens
UniProt: Q15858
Assay: Inhibition of NaV1.7 ion channel (unknown origin)
Measurement: IC50 = 40 nM (pChEMBL 7.400000095367432)
Descriptors: MW 547.9, ALogP 5.28, HBA 9, HBD 1, PSA 116.19, QED 0.31
Compound (SMILES): Cn1nccc1-c1cc(Br)ccc1Oc1ccc(S(=O)(=O)Nc2ncns2)cc1C#N
InChIKey: QLYGMWLMTOMGJO-UHFFFAOYSA-N
Target: Sodium channel protein type 9 subunit alpha (SINGLE PROTEIN), Homo sapiens
UniProt: Q15858
Assay: Inhibition of NaV1.7 ion channel (unknown origin)
Measurement: IC50 = 40 nM (pChEMBL 7.400000095367432)
Descriptors: MW 517.39, ALogP 4.17, HBA 9, HBD 1, PSA 122.79, QED 0.41
Compound (SMILES): N#Cc1cc(S(=O)(=O)Nc2nccs2)ccc1Oc1cc(Cl)ccc1-c1ccn[nH]1
InChIKey: LIHFREDPMOYTEI-UHFFFAOYSA-N
Target: Sodium channel protein type 9 subunit alpha (SINGLE PROTEIN), Homo sapiens
UniProt: Q15858
Assay: Inhibition of NaV1.7 ion channel (unknown origin)
Measurement: IC50 = 40 nM (pChEMBL 7.400000095367432)
Descriptors: MW 457.92, ALogP 4.65, HBA 7, HBD 2, PSA 120.76, QED 0.43
Compound (SMILES): N#Cc1cc(S(=O)(=O)Nc2ncc(Cl)s2)ccc1Oc1ccc(F)cc1-c1cn[nH]c1
InChIKey: ZKRUKKZCDGSWCH-UHFFFAOYSA-N
Target: Sodium channel protein type 9 subunit alpha (SINGLE PROTEIN), Homo sapiens
UniProt: Q15858
Assay: Inhibition of NaV1.7 ion channel (unknown origin)
Measurement: IC50 = 40 nM (pChEMBL 7.400000095367432)
Descriptors: MW 475.91, ALogP 4.79, HBA 7, HBD 2, PSA 120.76, QED 0.41
Compound (SMILES): O=S(=O)(Nc1cscn1)c1cc(Cl)c(Oc2ccc(Cl)cc2-c2ccnnc2)cc1F
InChIKey: QLCHUIFAUQJPHA-UHFFFAOYSA-N
Target: Sodium channel protein type 9 subunit alpha (SINGLE PROTEIN), Homo sapiens
UniProt: Q15858
Assay: Inhibition of NaV1.7 ion channel (unknown origin)
Measurement: IC50 = 41 nM (pChEMBL 7.389999866485596)
Descriptors: MW 497.36, ALogP 5.64, HBA 7, HBD 1, PSA 94.07, QED 0.37
Compound (SMILES): Cn1nc(C(F)(F)F)cc1-c1ccc(Oc2ccc(S(=O)(=O)Nc3nccs3)cc2C#N)c(C#N)c1
InChIKey: AWXGLEZAFWDVCI-UHFFFAOYSA-N
Target: Sodium channel protein type 9 subunit alpha (SINGLE PROTEIN), Homo sapiens
UniProt: Q15858
Assay: Inhibition of NaV1.7 ion channel (unknown origin)
Measurement: IC50 = 44 nM (pChEMBL 7.360000133514404)
Descriptors: MW 530.51, ALogP 4.9, HBA 9, HBD 1, PSA 133.69, QED 0.37
Compound (SMILES): CC(C)(C)n1nccc1-c1cc(Cl)ccc1Oc1ccc(S(=O)(=O)Nc2ncns2)cc1Cl
InChIKey: LXBNJIPMBMGHCT-UHFFFAOYSA-N
Target: Sodium channel protein type 9 subunit alpha (SINGLE PROTEIN), Homo sapiens
UniProt: Q15858
Assay: Inhibition of NaV1.7 ion channel (unknown origin)
Measurement: IC50 = 44 nM (pChEMBL 7.360000133514404)
Descriptors: MW 524.46, ALogP 6.06, HBA 8, HBD 1, PSA 99, QED 0.33
Compound (SMILES): O=S(=O)(Nc1ncns1)c1ccc(Oc2ccc(F)cc2-c2ccn[nH]2)c(Cl)c1
InChIKey: NACXACLLNMNXKW-UHFFFAOYSA-N
Target: Sodium channel protein type 9 subunit alpha (SINGLE PROTEIN), Homo sapiens
UniProt: Q15858
Assay: Inhibition of NaV1.7 ion channel (unknown origin)
Measurement: IC50 = 44 nM (pChEMBL 7.360000133514404)
Descriptors: MW 451.89, ALogP 4.31, HBA 7, HBD 2, PSA 109.86, QED 0.45
Compound (SMILES): O=S(=O)(Nc1ncns1)c1cc(Cl)c(Oc2ccc(Cl)cc2C2CNC2)cc1F
InChIKey: YJAPVNQINMVFQU-UHFFFAOYSA-N
Target: Sodium channel protein type 9 subunit alpha (SINGLE PROTEIN), Homo sapiens
UniProt: Q15858
Assay: Inhibition of NaV1.7 ion channel (unknown origin)
Measurement: IC50 = 45 nM (pChEMBL 7.349999904632568)
Descriptors: MW 475.35, ALogP 4.26, HBA 7, HBD 2, PSA 93.21, QED 0.55
Compound (SMILES): Cc1n[nH]cc1-c1cc(Cl)ccc1Oc1ccc(S(=O)(=O)Nc2nccs2)cc1F
InChIKey: MRTOCNWHVAXSLS-UHFFFAOYSA-N
Target: Sodium channel protein type 9 subunit alpha (SINGLE PROTEIN), Homo sapiens
UniProt: Q15858
Assay: Inhibition of NaV1.7 ion channel (unknown origin)
Measurement: IC50 = 45 nM (pChEMBL 7.349999904632568)
Descriptors: MW 464.93, ALogP 5.23, HBA 6, HBD 2, PSA 96.97, QED 0.41
Compound (SMILES): O=S(=O)(Nc1ccc(F)cn1)c1cc(Cl)c(Oc2ccc(Cl)cc2C2CCNCC2)cc1F
InChIKey: KFEQQQDAVHORNC-UHFFFAOYSA-N
Target: Sodium channel protein type 9 subunit alpha (SINGLE PROTEIN), Homo sapiens
UniProt: Q15858
Assay: Inhibition of NaV1.7 ion channel (unknown origin)
Measurement: IC50 = 46 nM (pChEMBL 7.340000152587891)
Descriptors: MW 514.38, ALogP 5.73, HBA 5, HBD 2, PSA 80.32, QED 0.44
Compound (SMILES): O=S(=O)(Nc1nncs1)c1cc(Cl)c(Oc2cc(C(F)(F)F)ccc2-c2ccnnc2)cc1F
InChIKey: HVVKJOPYVBNBKU-UHFFFAOYSA-N
Target: Sodium channel protein type 9 subunit alpha (SINGLE PROTEIN), Homo sapiens
UniProt: Q15858
Assay: Inhibition of NaV1.7 ion channel (unknown origin)
Measurement: IC50 = 48 nM (pChEMBL 7.320000171661377)
Descriptors: MW 531.9, ALogP 5.4, HBA 8, HBD 1, PSA 106.96, QED 0.33
Compound (SMILES): O=S(=O)(Nc1cscn1)c1cc(Cl)c(Oc2ccc(Cl)cc2C2CCNCC2)cc1F
InChIKey: WQGCPTNLXCGCEO-UHFFFAOYSA-N
Target: Sodium channel protein type 9 subunit alpha (SINGLE PROTEIN), Homo sapiens
UniProt: Q15858
Assay: Inhibition of NaV1.7 ion channel (unknown origin)
Measurement: IC50 = 49 nM (pChEMBL 7.309999942779541)
Descriptors: MW 502.42, ALogP 5.65, HBA 6, HBD 2, PSA 80.32, QED 0.46
Compound (SMILES): N#Cc1cc(S(=O)(=O)Nc2ncns2)ccc1Oc1ccc(Cl)cc1-c1cc(N2CCNCC2)ncn1
InChIKey: TXSDAZJMTAIJMY-UHFFFAOYSA-N
Target: Sodium channel protein type 9 subunit alpha (SINGLE PROTEIN), Homo sapiens
UniProt: Q15858
Assay: Inhibition of NaV1.7 ion channel (unknown origin)
Measurement: IC50 = 50 nM (pChEMBL 7.300000190734863)
Descriptors: MW 555.05, ALogP 3.52, HBA 11, HBD 2, PSA 146.02, QED 0.35
Compound (SMILES): COc1ccc(-c2cc(F)ccc2Oc2ccc(S(=O)(=O)Nc3nccs3)cc2C#N)cn1
InChIKey: IPYCVSIXTVHHLE-UHFFFAOYSA-N
Target: Sodium channel protein type 9 subunit alpha (SINGLE PROTEIN), Homo sapiens
UniProt: Q15858
Assay: Inhibition of NaV1.7 ion channel (unknown origin)
Measurement: IC50 = 50 nM (pChEMBL 7.300000190734863)
Descriptors: MW 482.52, ALogP 4.82, HBA 8, HBD 1, PSA 114.2, QED 0.4
Compound (SMILES): Fc1ccc(C2=NO[C@H](Cc3ccccc3)C2)cc1
InChIKey: VJUFXEQLCPXMHG-OAHLLOKOSA-N
Target: Luciferin 4-monooxygenase (SINGLE PROTEIN), Photinus pyralis
UniProt: P08659
Assay: Inhibition of recombinant firefly luciferase after 20 mins by luminescence assay
Measurement: IC50 = 0.309 nM (pChEMBL 9.510000228881836)
Descriptors: MW 255.29, ALogP 3.56, HBA 2, HBD 0, PSA 21.59, QED 0.82
Compound (SMILES): Fc1ccc(C2=NO[C@@H](Cc3ccccc3)C2)cc1
InChIKey: VJUFXEQLCPXMHG-HNNXBMFYSA-N
Target: Luciferin 4-monooxygenase (SINGLE PROTEIN), Photinus pyralis
UniProt: P08659
Assay: Inhibition of recombinant firefly luciferase after 20 mins by luminescence assay
Measurement: IC50 = 741.31 nM (pChEMBL 6.130000114440918)
Descriptors: MW 255.29, ALogP 3.56, HBA 2, HBD 0, PSA 21.59, QED 0.82
Compound (SMILES): Clc1ccccc1C1=NOC(Cc2ccccc2)C1
InChIKey: TUPGRBNYOYIRSN-UHFFFAOYSA-N
Target: Luciferin 4-monooxygenase (SINGLE PROTEIN), Photinus pyralis
UniProt: P08659
Assay: Inhibition of recombinant firefly luciferase after 20 mins by luminescence assay
Measurement: IC50 = 0.9333 nM (pChEMBL 9.029999732971191)
Descriptors: MW 271.75, ALogP 4.08, HBA 2, HBD 0, PSA 21.59, QED 0.82
Compound (SMILES): Clc1ccccc1C1=NOC(Cc2ccccc2)O1
InChIKey: WPHUJJLETUARHF-UHFFFAOYSA-N
Target: Luciferin 4-monooxygenase (SINGLE PROTEIN), Photinus pyralis
UniProt: P08659
Assay: Inhibition of recombinant firefly luciferase after 20 mins by luminescence assay
Measurement: IC50 = 0.5248 nM (pChEMBL 9.279999732971191)
Descriptors: MW 273.72, ALogP 3.62, HBA 3, HBD 0, PSA 30.82, QED 0.86
Compound (SMILES): Clc1cccc(C2=NOC(Cc3ccccc3)C2)c1
InChIKey: OCROEUNWBHNYPH-UHFFFAOYSA-N
Target: Luciferin 4-monooxygenase (SINGLE PROTEIN), Photinus pyralis
UniProt: P08659
Assay: Inhibition of recombinant firefly luciferase after 20 mins by luminescence assay
Measurement: IC50 = 15.14 nM (pChEMBL 7.820000171661377)
Descriptors: MW 271.75, ALogP 4.08, HBA 2, HBD 0, PSA 21.59, QED 0.82
Compound (SMILES): Clc1ccc(C2=NO[C@H](Cc3ccccc3)C2)cc1
InChIKey: VKNZADDJHLWOFO-OAHLLOKOSA-N
Target: Luciferin 4-monooxygenase (SINGLE PROTEIN), Photinus pyralis
UniProt: P08659
Assay: Inhibition of recombinant firefly luciferase after 20 mins by luminescence assay
Measurement: IC50 = 0.257 nM (pChEMBL 9.59000015258789)
Descriptors: MW 271.75, ALogP 4.08, HBA 2, HBD 0, PSA 21.59, QED 0.82
Compound (SMILES): Clc1ccc(C2=NO[C@@H](Cc3ccccc3)C2)cc1
InChIKey: VKNZADDJHLWOFO-HNNXBMFYSA-N
Target: Luciferin 4-monooxygenase (SINGLE PROTEIN), Photinus pyralis
UniProt: P08659
Assay: Inhibition of recombinant firefly luciferase after 20 mins by luminescence assay
Measurement: IC50 = 416.87 nM (pChEMBL 6.380000114440918)
Descriptors: MW 271.75, ALogP 4.08, HBA 2, HBD 0, PSA 21.59, QED 0.82
Compound (SMILES): Clc1ccc(C2=NOC(CCc3ccccc3)C2)cc1
InChIKey: AQQRVFBEZJLZEI-UHFFFAOYSA-N
Target: Luciferin 4-monooxygenase (SINGLE PROTEIN), Photinus pyralis
UniProt: P08659
Assay: Inhibition of recombinant firefly luciferase after 20 mins by luminescence assay
Measurement: IC50 = 3235.94 nM (pChEMBL 5.489999771118164)
Descriptors: MW 285.77, ALogP 4.47, HBA 2, HBD 0, PSA 21.59, QED 0.81
Compound (SMILES): CC1(Cc2ccccc2)CC(c2ccc(Cl)cc2)=NO1
InChIKey: VQZLZKMDVOHZKK-UHFFFAOYSA-N
Target: Luciferin 4-monooxygenase (SINGLE PROTEIN), Photinus pyralis
UniProt: P08659
Assay: Inhibition of recombinant firefly luciferase after 20 mins by luminescence assay
Measurement: IC50 = 32.36 nM (pChEMBL 7.489999771118164)
Descriptors: MW 285.77, ALogP 4.47, HBA 2, HBD 0, PSA 21.59, QED 0.82
Compound (SMILES): N#Cc1ccc(C2=NO[C@H](Cc3ccccc3)C2)cc1
InChIKey: PXLRIDIOCCNJAD-MRXNPFEDSA-N
Target: Luciferin 4-monooxygenase (SINGLE PROTEIN), Photinus pyralis
UniProt: P08659
Assay: Inhibition of recombinant firefly luciferase after 20 mins by luminescence assay
Measurement: IC50 = 0.8913 nM (pChEMBL 9.050000190734863)
Descriptors: MW 262.31, ALogP 3.29, HBA 3, HBD 0, PSA 45.38, QED 0.85
Compound (SMILES): N#Cc1ccc(C2=NO[C@@H](Cc3ccccc3)C2)cc1
InChIKey: PXLRIDIOCCNJAD-INIZCTEOSA-N
Target: Luciferin 4-monooxygenase (SINGLE PROTEIN), Photinus pyralis
UniProt: P08659
Assay: Inhibition of recombinant firefly luciferase after 20 mins by luminescence assay
Measurement: IC50 = 331.13 nM (pChEMBL 6.480000019073486)
Descriptors: MW 262.31, ALogP 3.29, HBA 3, HBD 0, PSA 45.38, QED 0.85
Compound (SMILES): O=[N+]([O-])c1ccc(C2=NOC(Cc3ccccc3)C2)cc1
InChIKey: IISSBZMWJYMUSP-UHFFFAOYSA-N
Target: Luciferin 4-monooxygenase (SINGLE PROTEIN), Photinus pyralis
UniProt: P08659
Assay: Inhibition of recombinant firefly luciferase after 20 mins by luminescence assay
Measurement: IC50 = 0.7413 nM (pChEMBL 9.130000114440918)
Descriptors: MW 282.3, ALogP 3.33, HBA 4, HBD 0, PSA 64.73, QED 0.64
Compound (SMILES): COc1ccc(C2=NO[C@H](Cc3ccc(F)cc3)C2)cc1
InChIKey: LOVBMYYUFCPNPO-MRXNPFEDSA-N
Target: Luciferin 4-monooxygenase (SINGLE PROTEIN), Photinus pyralis
UniProt: P08659
Assay: Inhibition of recombinant firefly luciferase after 20 mins by luminescence assay
Measurement: IC50 = 10.47 nM (pChEMBL 7.980000019073486)
Descriptors: MW 285.32, ALogP 3.57, HBA 3, HBD 0, PSA 30.82, QED 0.86
Compound (SMILES): COc1ccc(C2=NO[C@@H](Cc3ccc(F)cc3)C2)cc1
InChIKey: LOVBMYYUFCPNPO-INIZCTEOSA-N
Target: Luciferin 4-monooxygenase (SINGLE PROTEIN), Photinus pyralis
UniProt: P08659
Assay: Inhibition of recombinant firefly luciferase after 20 mins by luminescence assay
Measurement: IC50 < 10000 nM (pChEMBL 5)
Descriptors: MW 285.32, ALogP 3.57, HBA 3, HBD 0, PSA 30.82, QED 0.86
Compound (SMILES): COc1ccc(C2=NO[C@H](Cc3ccccc3OC)C2)cc1
InChIKey: BXAXHAGYLNMKGT-MRXNPFEDSA-N
Target: Luciferin 4-monooxygenase (SINGLE PROTEIN), Photinus pyralis
UniProt: P08659
Assay: Inhibition of recombinant firefly luciferase after 20 mins by luminescence assay
Measurement: IC50 = 1.82 nM (pChEMBL 8.739999771118164)
Descriptors: MW 297.35, ALogP 3.44, HBA 4, HBD 0, PSA 40.05, QED 0.85
Compound (SMILES): COc1ccc(C2=NO[C@@H](Cc3ccccc3OC)C2)cc1
InChIKey: BXAXHAGYLNMKGT-INIZCTEOSA-N
Target: Luciferin 4-monooxygenase (SINGLE PROTEIN), Photinus pyralis
UniProt: P08659
Assay: Inhibition of recombinant firefly luciferase after 20 mins by luminescence assay
Measurement: IC50 = 2187.76 nM (pChEMBL 5.659999847412109)
Descriptors: MW 297.35, ALogP 3.44, HBA 4, HBD 0, PSA 40.05, QED 0.85
Compound (SMILES): COc1ccc(C2=NO[C@H](Cc3cccc(OC)c3)C2)cc1
InChIKey: LXJOFWNQXUFYOB-QGZVFWFLSA-N
Target: Luciferin 4-monooxygenase (SINGLE PROTEIN), Photinus pyralis
UniProt: P08659
Assay: Inhibition of recombinant firefly luciferase after 20 mins by luminescence assay
Measurement: IC50 = 1.175 nM (pChEMBL 8.930000305175781)
Descriptors: MW 297.35, ALogP 3.44, HBA 4, HBD 0, PSA 40.05, QED 0.85
Compound (SMILES): COc1ccc(C2=NO[C@@H](Cc3cccc(OC)c3)C2)cc1
InChIKey: LXJOFWNQXUFYOB-KRWDZBQOSA-N
Target: Luciferin 4-monooxygenase (SINGLE PROTEIN), Photinus pyralis
UniProt: P08659
Assay: Inhibition of recombinant firefly luciferase after 20 mins by luminescence assay
Measurement: IC50 < 10000 nM (pChEMBL 5)
Descriptors: MW 297.35, ALogP 3.44, HBA 4, HBD 0, PSA 40.05, QED 0.85
Compound (SMILES): COc1ccc(C[C@@H]2CC(c3ccc(OC)cc3)=NO2)cc1
InChIKey: LPLNQOFPLCZJRQ-QGZVFWFLSA-N
Target: Luciferin 4-monooxygenase (SINGLE PROTEIN), Photinus pyralis
UniProt: P08659
Assay: Inhibition of recombinant firefly luciferase after 20 mins by luminescence assay
Measurement: IC50 < 10000 nM (pChEMBL 5)
Descriptors: MW 297.35, ALogP 3.44, HBA 4, HBD 0, PSA 40.05, QED 0.85
Compound (SMILES): COc1ccccc1CC1CC(c2ccc(Cl)cc2)=NO1
InChIKey: PHQNCHUAWHYQDV-UHFFFAOYSA-N
Target: Luciferin 4-monooxygenase (SINGLE PROTEIN), Photinus pyralis
UniProt: P08659
Assay: Inhibition of recombinant firefly luciferase after 20 mins by luminescence assay
Measurement: IC50 = 16.22 nM (pChEMBL 7.789999961853027)
Descriptors: MW 301.77, ALogP 4.08, HBA 3, HBD 0, PSA 30.82, QED 0.85
Compound (SMILES): COc1cccc(C[C@@H]2CC(c3ccc(Cl)cc3)=NO2)c1
InChIKey: AQEUWVNTAXBFFJ-MRXNPFEDSA-N
Target: Luciferin 4-monooxygenase (SINGLE PROTEIN), Photinus pyralis
UniProt: P08659
Assay: Inhibition of recombinant firefly luciferase after 20 mins by luminescence assay
Measurement: IC50 = 16.98 nM (pChEMBL 7.769999980926514)
Descriptors: MW 301.77, ALogP 4.08, HBA 3, HBD 0, PSA 30.82, QED 0.85
Compound (SMILES): COc1cccc(C[C@H]2CC(c3ccc(Cl)cc3)=NO2)c1
InChIKey: AQEUWVNTAXBFFJ-INIZCTEOSA-N
Target: Luciferin 4-monooxygenase (SINGLE PROTEIN), Photinus pyralis
UniProt: P08659
Assay: Inhibition of recombinant firefly luciferase after 20 mins by luminescence assay
Measurement: IC50 < 10000 nM (pChEMBL 5)
Descriptors: MW 301.77, ALogP 4.08, HBA 3, HBD 0, PSA 30.82, QED 0.85
Compound (SMILES): COc1ccc(C[C@@H]2CC(c3ccc(Cl)cc3)=NO2)cc1
InChIKey: FLTUIXXSGMDNES-MRXNPFEDSA-N
Target: Luciferin 4-monooxygenase (SINGLE PROTEIN), Photinus pyralis
UniProt: P08659
Assay: Inhibition of recombinant firefly luciferase after 20 mins by luminescence assay
Measurement: IC50 < 10000 nM (pChEMBL 5)
Descriptors: MW 301.77, ALogP 4.08, HBA 3, HBD 0, PSA 30.82, QED 0.85
Compound (SMILES): Fc1ccc(C[C@@H]2CC(c3ccc(Cl)cc3)=NO2)cc1
InChIKey: WPXJXMALVRCFPX-OAHLLOKOSA-N
Target: Luciferin 4-monooxygenase (SINGLE PROTEIN), Photinus pyralis
UniProt: P08659
Assay: Inhibition of recombinant firefly luciferase after 20 mins by luminescence assay
Measurement: IC50 = 0.871 nM (pChEMBL 9.0600004196167)
Descriptors: MW 289.74, ALogP 4.21, HBA 2, HBD 0, PSA 21.59, QED 0.83
Compound (SMILES): Fc1ccc(C[C@H]2CC(c3ccc(Cl)cc3)=NO2)cc1
InChIKey: WPXJXMALVRCFPX-HNNXBMFYSA-N
Target: Luciferin 4-monooxygenase (SINGLE PROTEIN), Photinus pyralis
UniProt: P08659
Assay: Inhibition of recombinant firefly luciferase after 20 mins by luminescence assay
Measurement: IC50 = 602.56 nM (pChEMBL 6.21999979019165)
Descriptors: MW 289.74, ALogP 4.21, HBA 2, HBD 0, PSA 21.59, QED 0.83
Compound (SMILES): CCc1ccc(C[C@@H]2CC(c3ccc(Cl)cc3)=NO2)cc1
InChIKey: MZEHOLWKLPPFPK-QGZVFWFLSA-N
Target: Luciferin 4-monooxygenase (SINGLE PROTEIN), Photinus pyralis
UniProt: P08659
Assay: Inhibition of recombinant firefly luciferase after 20 mins by luminescence assay
Measurement: IC50 < 10000 nM (pChEMBL 5)
Descriptors: MW 299.8, ALogP 4.64, HBA 2, HBD 0, PSA 21.59, QED 0.81
Compound (SMILES): CCc1ccc(C[C@H]2CC(c3ccc(Cl)cc3)=NO2)cc1
InChIKey: MZEHOLWKLPPFPK-KRWDZBQOSA-N
Target: Luciferin 4-monooxygenase (SINGLE PROTEIN), Photinus pyralis
UniProt: P08659
Assay: Inhibition of recombinant firefly luciferase after 20 mins by luminescence assay
Measurement: IC50 = 8709.64 nM (pChEMBL 5.059999942779541)
Descriptors: MW 299.8, ALogP 4.64, HBA 2, HBD 0, PSA 21.59, QED 0.81
Compound (SMILES): CC(C)c1ccc(C[C@H]2CC(c3ccc(Cl)cc3)=NO2)cc1
InChIKey: GESZJAMUIKPUAS-SFHVURJKSA-N
Target: Luciferin 4-monooxygenase (SINGLE PROTEIN), Photinus pyralis
UniProt: P08659
Assay: Inhibition of recombinant firefly luciferase after 20 mins by luminescence assay
Measurement: IC50 < 10000 nM (pChEMBL 5)
Descriptors: MW 313.83, ALogP 5.2, HBA 2, HBD 0, PSA 21.59, QED 0.76
Compound (SMILES): Clc1ccc(C2=NO[C@H](Cc3cccc4ccccc34)C2)cc1
InChIKey: NXAAHUOVYRPXQH-GOSISDBHSA-N
Target: Luciferin 4-monooxygenase (SINGLE PROTEIN), Photinus pyralis
UniProt: P08659
Assay: Inhibition of recombinant firefly luciferase after 20 mins by luminescence assay
Measurement: IC50 < 10000 nM (pChEMBL 5)
Descriptors: MW 321.81, ALogP 5.23, HBA 2, HBD 0, PSA 21.59, QED 0.65
Compound (SMILES): Clc1ccc(C2=NO[C@@H](Cc3cccc4ccccc34)C2)cc1
InChIKey: NXAAHUOVYRPXQH-SFHVURJKSA-N
Target: Luciferin 4-monooxygenase (SINGLE PROTEIN), Photinus pyralis
UniProt: P08659
Assay: Inhibition of recombinant firefly luciferase after 20 mins by luminescence assay
Measurement: IC50 < 10000 nM (pChEMBL 5)
Descriptors: MW 321.81, ALogP 5.23, HBA 2, HBD 0, PSA 21.59, QED 0.65
Compound (SMILES): c1ccc(C[C@@H]2CC(c3ccccc3)=NO2)cc1
InChIKey: IMTGFFLRCGPYTN-OAHLLOKOSA-N
Target: Luciferin 4-monooxygenase (SINGLE PROTEIN), Photinus pyralis
UniProt: P08659
Assay: Inhibition of recombinant firefly luciferase after 20 mins by luminescence assay
Measurement: IC50 = 1.585 nM (pChEMBL 8.800000190734863)
Descriptors: MW 237.3, ALogP 3.42, HBA 2, HBD 0, PSA 21.59, QED 0.8
Compound (SMILES): c1ccc(C[C@H]2CC(c3ccccc3)=NO2)cc1
InChIKey: IMTGFFLRCGPYTN-HNNXBMFYSA-N
Target: Luciferin 4-monooxygenase (SINGLE PROTEIN), Photinus pyralis
UniProt: P08659
Assay: Inhibition of recombinant firefly luciferase after 20 mins by luminescence assay
Measurement: IC50 = 173.78 nM (pChEMBL 6.760000228881836)
Descriptors: MW 237.3, ALogP 3.42, HBA 2, HBD 0, PSA 21.59, QED 0.8
Compound (SMILES): c1ccc(C[C@@H]2CC(c3cccc4ccccc34)=NO2)cc1
InChIKey: DWCIROGGKBUHTA-QGZVFWFLSA-N
Target: Luciferin 4-monooxygenase (SINGLE PROTEIN), Photinus pyralis
UniProt: P08659
Assay: Inhibition of recombinant firefly luciferase after 20 mins by luminescence assay
Measurement: IC50 = 2511.89 nM (pChEMBL 5.599999904632568)
Descriptors: MW 287.36, ALogP 4.58, HBA 2, HBD 0, PSA 21.59, QED 0.69
Compound (SMILES): c1ccc(C[C@H]2CC(c3cccc4ccccc34)=NO2)cc1
InChIKey: DWCIROGGKBUHTA-KRWDZBQOSA-N
Target: Luciferin 4-monooxygenase (SINGLE PROTEIN), Photinus pyralis
UniProt: P08659
Assay: Inhibition of recombinant firefly luciferase after 20 mins by luminescence assay
Measurement: IC50 < 10000 nM (pChEMBL 5)
Descriptors: MW 287.36, ALogP 4.58, HBA 2, HBD 0, PSA 21.59, QED 0.69
Compound (SMILES): c1ccc(C[C@@H]2CC(c3ccc4ccccc4c3)=NO2)cc1
InChIKey: WDGWULAODUCZPZ-LJQANCHMSA-N
Target: Luciferin 4-monooxygenase (SINGLE PROTEIN), Photinus pyralis
UniProt: P08659
Assay: Inhibition of recombinant firefly luciferase after 20 mins by luminescence assay
Measurement: IC50 = 87.1 nM (pChEMBL 7.059999942779541)
Descriptors: MW 287.36, ALogP 4.58, HBA 2, HBD 0, PSA 21.59, QED 0.69
Compound (SMILES): c1ccc(C[C@H]2CC(c3ccc4ccccc4c3)=NO2)cc1
InChIKey: WDGWULAODUCZPZ-IBGZPJMESA-N
Target: Luciferin 4-monooxygenase (SINGLE PROTEIN), Photinus pyralis
UniProt: P08659
Assay: Inhibition of recombinant firefly luciferase after 20 mins by luminescence assay
Measurement: IC50 < 10000 nM (pChEMBL 5)
Descriptors: MW 287.36, ALogP 4.58, HBA 2, HBD 0, PSA 21.59, QED 0.69
Compound (SMILES): COc1ccccc1C1=NO[C@H](Cc2ccccc2)C1
InChIKey: VUHYZMJJAAWQIP-CQSZACIVSA-N
Target: Luciferin 4-monooxygenase (SINGLE PROTEIN), Photinus pyralis
UniProt: P08659
Assay: Inhibition of recombinant firefly luciferase after 20 mins by luminescence assay
Measurement: IC50 = 0.912 nM (pChEMBL 9.039999961853027)
Descriptors: MW 267.33, ALogP 3.43, HBA 3, HBD 0, PSA 30.82, QED 0.85
Compound (SMILES): COc1ccccc1C1=NO[C@@H](Cc2ccccc2)C1
InChIKey: VUHYZMJJAAWQIP-AWEZNQCLSA-N
Target: Luciferin 4-monooxygenase (SINGLE PROTEIN), Photinus pyralis
UniProt: P08659
Assay: Inhibition of recombinant firefly luciferase after 20 mins by luminescence assay
Measurement: IC50 = 6918.31 nM (pChEMBL 5.159999847412109)
Descriptors: MW 267.33, ALogP 3.43, HBA 3, HBD 0, PSA 30.82, QED 0.85
Compound (SMILES): COc1ccccc1C1=NO[C@H](Cc2ccccc2)O1
InChIKey: ARFUCNADGLSQKO-OAHLLOKOSA-N
Target: Luciferin 4-monooxygenase (SINGLE PROTEIN), Photinus pyralis
UniProt: P08659
Assay: Inhibition of recombinant firefly luciferase after 20 mins by luminescence assay
Measurement: IC50 = 2.138 nM (pChEMBL 8.670000076293945)
Descriptors: MW 269.3, ALogP 2.97, HBA 4, HBD 0, PSA 40.05, QED 0.86
Compound (SMILES): COc1ccccc1C1=NO[C@@H](Cc2ccccc2)O1
InChIKey: ARFUCNADGLSQKO-HNNXBMFYSA-N
Target: Luciferin 4-monooxygenase (SINGLE PROTEIN), Photinus pyralis
UniProt: P08659
Assay: Inhibition of recombinant firefly luciferase after 20 mins by luminescence assay
Measurement: IC50 = 4265.8 nM (pChEMBL 5.369999885559082)
Descriptors: MW 269.3, ALogP 2.97, HBA 4, HBD 0, PSA 40.05, QED 0.86
Compound (SMILES): COc1cccc(C2=NO[C@H](Cc3ccccc3)C2)c1
InChIKey: IWMQKWNKJDZOCX-MRXNPFEDSA-N
Target: Luciferin 4-monooxygenase (SINGLE PROTEIN), Photinus pyralis
UniProt: P08659
Assay: Inhibition of recombinant firefly luciferase after 20 mins by luminescence assay
Measurement: IC50 = 0.3981 nM (pChEMBL 9.399999618530273)
Descriptors: MW 267.33, ALogP 3.43, HBA 3, HBD 0, PSA 30.82, QED 0.85
Compound (SMILES): COc1cccc(C2=NO[C@@H](Cc3ccccc3)C2)c1
InChIKey: IWMQKWNKJDZOCX-INIZCTEOSA-N
Target: Luciferin 4-monooxygenase (SINGLE PROTEIN), Photinus pyralis
UniProt: P08659
Assay: Inhibition of recombinant firefly luciferase after 20 mins by luminescence assay
Measurement: IC50 = 1949.84 nM (pChEMBL 5.710000038146973)
Descriptors: MW 267.33, ALogP 3.43, HBA 3, HBD 0, PSA 30.82, QED 0.85
Compound (SMILES): COc1ccc(C2=NO[C@H](Cc3ccccc3)C2)cc1
InChIKey: FKBVNJUSEHGABZ-MRXNPFEDSA-N
Target: Luciferin 4-monooxygenase (SINGLE PROTEIN), Photinus pyralis
UniProt: P08659
Assay: Inhibition of recombinant firefly luciferase after 20 mins by luminescence assay
Measurement: IC50 = 0.2884 nM (pChEMBL 9.539999961853027)
Descriptors: MW 267.33, ALogP 3.43, HBA 3, HBD 0, PSA 30.82, QED 0.85
Compound (SMILES): COc1ccc(C2=NO[C@@H](Cc3ccccc3)C2)cc1
InChIKey: FKBVNJUSEHGABZ-INIZCTEOSA-N
Target: Luciferin 4-monooxygenase (SINGLE PROTEIN), Photinus pyralis
UniProt: P08659
Assay: Inhibition of recombinant firefly luciferase after 20 mins by luminescence assay
Measurement: IC50 = 2454.71 nM (pChEMBL 5.610000133514404)
Descriptors: MW 267.33, ALogP 3.43, HBA 3, HBD 0, PSA 30.82, QED 0.85
Compound (SMILES): COc1ccc(C2=NO[C@H](CCc3ccccc3)C2)cc1
InChIKey: HXWGKLYJZNNZHO-QGZVFWFLSA-N
Target: Luciferin 4-monooxygenase (SINGLE PROTEIN), Photinus pyralis
UniProt: P08659
Assay: Inhibition of recombinant firefly luciferase after 20 mins by luminescence assay
Measurement: IC50 = 13.8 nM (pChEMBL 7.860000133514404)
Descriptors: MW 281.36, ALogP 3.82, HBA 3, HBD 0, PSA 30.82, QED 0.83
Compound (SMILES): COc1ccc(C2=NO[C@H](Cc3ccccc3)O2)cc1
InChIKey: ICRXNHZHMHYBPV-OAHLLOKOSA-N
Target: Luciferin 4-monooxygenase (SINGLE PROTEIN), Photinus pyralis
UniProt: P08659
Assay: Inhibition of recombinant firefly luciferase after 20 mins by luminescence assay
Measurement: IC50 = 0.955 nM (pChEMBL 9.020000457763672)
Descriptors: MW 269.3, ALogP 2.97, HBA 4, HBD 0, PSA 40.05, QED 0.86
Compound (SMILES): COc1ccc(C2=NO[C@@H](Cc3ccccc3)O2)cc1
InChIKey: ICRXNHZHMHYBPV-HNNXBMFYSA-N
Target: Luciferin 4-monooxygenase (SINGLE PROTEIN), Photinus pyralis
UniProt: P08659
Assay: Inhibition of recombinant firefly luciferase after 20 mins by luminescence assay
Measurement: IC50 = 5.248 nM (pChEMBL 8.279999732971191)
Descriptors: MW 269.3, ALogP 2.97, HBA 4, HBD 0, PSA 40.05, QED 0.86
Compound (SMILES): COc1ccc(C2=NOC(C)(Cc3ccccc3)C2)cc1
InChIKey: JUGVDARENWRWOL-UHFFFAOYSA-N
Target: Luciferin 4-monooxygenase (SINGLE PROTEIN), Photinus pyralis
UniProt: P08659
Assay: Inhibition of recombinant firefly luciferase after 20 mins by luminescence assay
Measurement: IC50 = 21.88 nM (pChEMBL 7.659999847412109)
Descriptors: MW 281.36, ALogP 3.82, HBA 3, HBD 0, PSA 30.82, QED 0.85
Compound (SMILES): Oc1ccccc1C1=NO[C@H](Cc2ccccc2)C1
InChIKey: MWQGBKJABQWXCJ-CYBMUJFWSA-N
Target: Luciferin 4-monooxygenase (SINGLE PROTEIN), Photinus pyralis
UniProt: P08659
Assay: Inhibition of recombinant firefly luciferase after 20 mins by luminescence assay
Measurement: IC50 = 1.95 nM (pChEMBL 8.710000038146973)
Descriptors: MW 253.3, ALogP 3.13, HBA 3, HBD 1, PSA 41.82, QED 0.91
Compound (SMILES): Oc1ccccc1C1=NO[C@@H](Cc2ccccc2)C1
InChIKey: MWQGBKJABQWXCJ-ZDUSSCGKSA-N
Target: Luciferin 4-monooxygenase (SINGLE PROTEIN), Photinus pyralis
UniProt: P08659
Assay: Inhibition of recombinant firefly luciferase after 20 mins by luminescence assay
Measurement: IC50 = 1122.02 nM (pChEMBL 5.949999809265137)
Descriptors: MW 253.3, ALogP 3.13, HBA 3, HBD 1, PSA 41.82, QED 0.91
Compound (SMILES): Oc1cccc(C2=NO[C@H](Cc3ccccc3)C2)c1
InChIKey: CMZNXRVWBPGLJF-OAHLLOKOSA-N
Target: Luciferin 4-monooxygenase (SINGLE PROTEIN), Photinus pyralis
UniProt: P08659
Assay: Inhibition of recombinant firefly luciferase after 20 mins by luminescence assay
Measurement: IC50 = 0.8318 nM (pChEMBL 9.079999923706055)
Descriptors: MW 253.3, ALogP 3.13, HBA 3, HBD 1, PSA 41.82, QED 0.91
Compound (SMILES): Oc1cccc(C2=NO[C@@H](Cc3ccccc3)C2)c1
InChIKey: CMZNXRVWBPGLJF-HNNXBMFYSA-N
Target: Luciferin 4-monooxygenase (SINGLE PROTEIN), Photinus pyralis
UniProt: P08659
Assay: Inhibition of recombinant firefly luciferase after 20 mins by luminescence assay
Measurement: IC50 = 2187.76 nM (pChEMBL 5.659999847412109)
Descriptors: MW 253.3, ALogP 3.13, HBA 3, HBD 1, PSA 41.82, QED 0.91
Compound (SMILES): Oc1ccc(C2=NO[C@H](Cc3ccccc3)C2)cc1
InChIKey: VWGGYOJVUGYREV-OAHLLOKOSA-N
Target: Luciferin 4-monooxygenase (SINGLE PROTEIN), Photinus pyralis
UniProt: P08659
Assay: Inhibition of recombinant firefly luciferase after 20 mins by luminescence assay
Measurement: IC50 = 316.23 nM (pChEMBL 6.5)
Descriptors: MW 253.3, ALogP 3.13, HBA 3, HBD 1, PSA 41.82, QED 0.91
Compound (SMILES): Oc1ccc(C2=NO[C@@H](Cc3ccccc3)C2)cc1
InChIKey: VWGGYOJVUGYREV-HNNXBMFYSA-N
Target: Luciferin 4-monooxygenase (SINGLE PROTEIN), Photinus pyralis
UniProt: P08659
Assay: Inhibition of recombinant firefly luciferase after 20 mins by luminescence assay
Measurement: IC50 < 10000 nM (pChEMBL 5)
Descriptors: MW 253.3, ALogP 3.13, HBA 3, HBD 1, PSA 41.82, QED 0.91
Compound (SMILES): Fc1ccccc1C1=NO[C@H](Cc2ccccc2)C1
InChIKey: SINKLGMBHNVUNA-CYBMUJFWSA-N
Target: Luciferin 4-monooxygenase (SINGLE PROTEIN), Photinus pyralis
UniProt: P08659
Assay: Inhibition of recombinant firefly luciferase after 20 mins by luminescence assay
Measurement: IC50 = 0.955 nM (pChEMBL 9.020000457763672)
Descriptors: MW 255.29, ALogP 3.56, HBA 2, HBD 0, PSA 21.59, QED 0.82
Compound (SMILES): Fc1ccccc1C1=NO[C@@H](Cc2ccccc2)C1
InChIKey: SINKLGMBHNVUNA-ZDUSSCGKSA-N
Target: Luciferin 4-monooxygenase (SINGLE PROTEIN), Photinus pyralis
UniProt: P08659
Assay: Inhibition of recombinant firefly luciferase after 20 mins by luminescence assay
Measurement: IC50 = 1023.29 nM (pChEMBL 5.989999771118164)
Descriptors: MW 255.29, ALogP 3.56, HBA 2, HBD 0, PSA 21.59, QED 0.82
Compound (SMILES): Fc1ccccc1C1=NOC(Cc2ccccc2)O1
InChIKey: DHOKDAQOBRLGDA-UHFFFAOYSA-N
Target: Luciferin 4-monooxygenase (SINGLE PROTEIN), Photinus pyralis
UniProt: P08659
Assay: Inhibition of recombinant firefly luciferase after 20 mins by luminescence assay
Measurement: IC50 = 2.818 nM (pChEMBL 8.550000190734863)
Descriptors: MW 257.26, ALogP 3.1, HBA 3, HBD 0, PSA 30.82, QED 0.85
Compound (SMILES): Fc1cccc(C2=NO[C@H](Cc3ccccc3)C2)c1
InChIKey: BIJSWCRELIGYBA-OAHLLOKOSA-N
Target: Luciferin 4-monooxygenase (SINGLE PROTEIN), Photinus pyralis
UniProt: P08659
Assay: Inhibition of recombinant firefly luciferase after 20 mins by luminescence assay
Measurement: IC50 = 0.955 nM (pChEMBL 9.020000457763672)
Descriptors: MW 255.29, ALogP 3.56, HBA 2, HBD 0, PSA 21.59, QED 0.82
Compound (SMILES): Fc1cccc(C2=NO[C@@H](Cc3ccccc3)C2)c1
InChIKey: BIJSWCRELIGYBA-HNNXBMFYSA-N
Target: Luciferin 4-monooxygenase (SINGLE PROTEIN), Photinus pyralis
UniProt: P08659
Assay: Inhibition of recombinant firefly luciferase after 20 mins by luminescence assay
Measurement: IC50 = 1000 nM (pChEMBL 6)
Descriptors: MW 255.29, ALogP 3.56, HBA 2, HBD 0, PSA 21.59, QED 0.82
Compound (SMILES): Cn1cc(-c2cnc3ccc4ccc(CC(=O)Nc5ccccc5)cc4c(=O)c3c2)cn1
InChIKey: ACUVOYJESJNPMD-UHFFFAOYSA-N
Target: Hepatocyte growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08581
Assay: Inhibition of c-MET (unknown origin)-catalyzed N-biotinylated EQEDEPEGDYFEWLECONH2 phosphorylation by TR-FRET assay
Measurement: IC50 = 3691 nM (pChEMBL 5.429999828338623)
Descriptors: MW 420.47, ALogP 4.33, HBA 5, HBD 1, PSA 76.88, QED 0.47
Compound (SMILES): Cn1cc(-c2cnc3ccc4ccc(CC(=O)NCc5ccccc5)cc4c(=O)c3c2)cn1
InChIKey: DAOPPXODFZKNTO-UHFFFAOYSA-N
Target: Macrophage-stimulating protein receptor (SINGLE PROTEIN), Homo sapiens
UniProt: Q04912
Assay: Inhibition of RON (unknown origin) by TR-FRET assay
Measurement: IC50 = 2293 nM (pChEMBL 5.639999866485596)
Descriptors: MW 434.5, ALogP 4.01, HBA 5, HBD 1, PSA 76.88, QED 0.45
Compound (SMILES): CN(CC1COCCO1)C(=O)Cc1ccc2ccc3ncc(-c4cnn(C)c4)cc3c(=O)c2c1
InChIKey: UIQYIYNZQLDTDH-UHFFFAOYSA-N
Target: Hepatocyte growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08581
Assay: Inhibition of c-MET (unknown origin)-catalyzed N-biotinylated EQEDEPEGDYFEWLECONH2 phosphorylation by TR-FRET assay
Measurement: IC50 = 3191 nM (pChEMBL 5.5)
Descriptors: MW 458.52, ALogP 2.56, HBA 7, HBD 0, PSA 86.55, QED 0.46
Compound (SMILES): Cn1cc(-c2cnc3ccc4ccc(CC(=O)NCc5ccccn5)cc4c(=O)c3c2)cn1
InChIKey: FSWZFTVJPPJUJY-UHFFFAOYSA-N
Target: Hepatocyte growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08581
Assay: Inhibition of c-MET (unknown origin)-catalyzed N-biotinylated EQEDEPEGDYFEWLECONH2 phosphorylation by TR-FRET assay
Measurement: IC50 = 1368 nM (pChEMBL 5.860000133514404)
Descriptors: MW 435.49, ALogP 3.4, HBA 6, HBD 1, PSA 89.77, QED 0.46
Compound (SMILES): CC(C(N)=O)c1ccc2ccc3ncc(-c4cnn(C)c4)cc3c(=O)c2c1
InChIKey: NTHLVSPRDLDFRH-UHFFFAOYSA-N
Target: Macrophage-stimulating protein receptor (SINGLE PROTEIN), Homo sapiens
UniProt: Q04912
Assay: Inhibition of RON (unknown origin) by TR-FRET assay
Measurement: IC50 = 912 nM (pChEMBL 6.039999961853027)
Descriptors: MW 358.4, ALogP 2.74, HBA 5, HBD 1, PSA 90.87, QED 0.61
Compound (SMILES): Cn1cc(-c2cnc3ccc4ccc(C(O)C(N)=O)cc4c(=O)c3c2)cn1
InChIKey: NPKHYQHLPSZNHP-UHFFFAOYSA-N
Target: Macrophage-stimulating protein receptor (SINGLE PROTEIN), Homo sapiens
UniProt: Q04912
Assay: Inhibition of RON (unknown origin) by TR-FRET assay
Measurement: IC50 = 403 nM (pChEMBL 6.389999866485596)
Descriptors: MW 360.37, ALogP 1.67, HBA 6, HBD 2, PSA 111.1, QED 0.58
Compound (SMILES): Cn1cc(-c2cnc3ccc4ccc(CS(N)(=O)=O)cc4c(=O)c3c2)cn1
InChIKey: PWDDBMQBJMTVPY-UHFFFAOYSA-N
Target: Hepatocyte growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08581
Assay: Inhibition of c-MET (unknown origin)-catalyzed N-biotinylated EQEDEPEGDYFEWLECONH2 phosphorylation by TR-FRET assay
Measurement: IC50 = 98 nM (pChEMBL 7.010000228881836)
Descriptors: MW 380.43, ALogP 1.94, HBA 6, HBD 1, PSA 107.94, QED 0.58
Compound (SMILES): CNS(=O)(=O)Cc1ccc2ccc3ncc(-c4cnn(C)c4)cc3c(=O)c2c1
InChIKey: ZITHNZLUOTWYFR-UHFFFAOYSA-N
Target: Hepatocyte growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08581
Assay: Inhibition of c-MET (unknown origin)-catalyzed N-biotinylated EQEDEPEGDYFEWLECONH2 phosphorylation by TR-FRET assay
Measurement: IC50 = 163 nM (pChEMBL 6.789999961853027)
Descriptors: MW 394.46, ALogP 2.2, HBA 6, HBD 1, PSA 93.95, QED 0.57
Compound (SMILES): CN(C)S(=O)(=O)Cc1ccc2ccc3ncc(-c4cnn(C)c4)cc3c(=O)c2c1
InChIKey: WNCZEVIAAFYSTI-UHFFFAOYSA-N
Target: Hepatocyte growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08581
Assay: Inhibition of c-MET (unknown origin)-catalyzed N-biotinylated EQEDEPEGDYFEWLECONH2 phosphorylation by TR-FRET assay
Measurement: IC50 = 2294 nM (pChEMBL 5.639999866485596)
Descriptors: MW 408.48, ALogP 2.54, HBA 6, HBD 0, PSA 85.16, QED 0.52
Compound (SMILES): CCCNS(=O)(=O)Cc1ccc2ccc3ncc(-c4cnn(C)c4)cc3c(=O)c2c1
InChIKey: XYCXQEBQLMVGIP-UHFFFAOYSA-N
Target: Hepatocyte growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08581
Assay: Inhibition of c-MET (unknown origin)-catalyzed N-biotinylated EQEDEPEGDYFEWLECONH2 phosphorylation by TR-FRET assay
Measurement: IC50 = 42 nM (pChEMBL 7.380000114440918)
Descriptors: MW 422.51, ALogP 2.98, HBA 6, HBD 1, PSA 93.95, QED 0.52
Compound (SMILES): Cn1cc(-c2cnc3ccc4ccc(CS(=O)(=O)NCC5COCCO5)cc4c(=O)c3c2)cn1
InChIKey: MQYWAVQWSXEFBN-UHFFFAOYSA-N
Target: Hepatocyte growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08581
Assay: Inhibition of c-MET (unknown origin)-catalyzed N-biotinylated EQEDEPEGDYFEWLECONH2 phosphorylation by TR-FRET assay
Measurement: IC50 = 45 nM (pChEMBL 7.349999904632568)
Descriptors: MW 480.55, ALogP 1.98, HBA 8, HBD 1, PSA 112.41, QED 0.45
Compound (SMILES): Cn1cc(-c2cnc3ccc4ccc(CS(=O)(=O)N[C@@H]5CCCC[C@@H]5N)cc4c(=O)c3c2)cn1
InChIKey: JBTWERFHEITGTI-LADGPHEKSA-N
Target: Hepatocyte growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08581
Assay: Inhibition of c-MET (unknown origin)-catalyzed N-biotinylated EQEDEPEGDYFEWLECONH2 phosphorylation by TR-FRET assay
Measurement: IC50 = 53 nM (pChEMBL 7.28000020980835)
Descriptors: MW 477.59, ALogP 2.84, HBA 7, HBD 2, PSA 119.97, QED 0.46
Compound (SMILES): Cn1cc(-c2cnc3ccc4ccc(CS(=O)(=O)N[C@@H]5CCCC[C@H]5N)cc4c(=O)c3c2)cn1
InChIKey: JBTWERFHEITGTI-ISKFKSNPSA-N
Target: Hepatocyte growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08581
Assay: Inhibition of c-MET (unknown origin)-catalyzed N-biotinylated EQEDEPEGDYFEWLECONH2 phosphorylation by TR-FRET assay
Measurement: IC50 = 14 nM (pChEMBL 7.849999904632568)
Descriptors: MW 477.59, ALogP 2.84, HBA 7, HBD 2, PSA 119.97, QED 0.46
Compound (SMILES): Cn1cc(-c2cnc3ccc4ccc(CS(=O)(=O)Nc5ccccc5)cc4c(=O)c3c2)cn1
InChIKey: KCVUBAFCQUOASV-UHFFFAOYSA-N
Target: Hepatocyte growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08581
Assay: Inhibition of c-MET (unknown origin)-catalyzed N-biotinylated EQEDEPEGDYFEWLECONH2 phosphorylation by TR-FRET assay
Measurement: IC50 = 33 nM (pChEMBL 7.480000019073486)
Descriptors: MW 456.53, ALogP 4.09, HBA 6, HBD 1, PSA 93.95, QED 0.43
Compound (SMILES): Cn1cc(-c2cnc3ccc4ccc(CS(=O)(=O)NCc5ccccc5)cc4c(=O)c3c2)cn1
InChIKey: RNCJZICHSLSZBP-UHFFFAOYSA-N
Target: Hepatocyte growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08581
Assay: Inhibition of c-MET (unknown origin)-catalyzed N-biotinylated EQEDEPEGDYFEWLECONH2 phosphorylation by TR-FRET assay
Measurement: IC50 = 11 nM (pChEMBL 7.960000038146973)
Descriptors: MW 470.55, ALogP 3.77, HBA 6, HBD 1, PSA 93.95, QED 0.41
Compound (SMILES): CC(NS(=O)(=O)Cc1ccc2ccc3ncc(-c4cnn(C)c4)cc3c(=O)c2c1)c1ccccc1
InChIKey: UVVNHLGXPBGUMO-UHFFFAOYSA-N
Target: Hepatocyte growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08581
Assay: Inhibition of c-MET (unknown origin)-catalyzed N-biotinylated EQEDEPEGDYFEWLECONH2 phosphorylation by TR-FRET assay
Measurement: IC50 = 52 nM (pChEMBL 7.28000020980835)
Descriptors: MW 484.58, ALogP 4.33, HBA 6, HBD 1, PSA 93.95, QED 0.39
Compound (SMILES): Cn1cc(-c2cnc3ccc4ccc(CS(=O)(=O)NCc5ccc(F)cc5F)cc4c(=O)c3c2)cn1
InChIKey: XUAMHBUZXXVHOS-UHFFFAOYSA-N
Target: Hepatocyte growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08581
Assay: Inhibition of c-MET (unknown origin)-catalyzed N-biotinylated EQEDEPEGDYFEWLECONH2 phosphorylation by TR-FRET assay
Measurement: IC50 = 6 nM (pChEMBL 8.220000267028809)
Descriptors: MW 506.53, ALogP 4.05, HBA 6, HBD 1, PSA 93.95, QED 0.38
Compound (SMILES): Cn1cc(-c2cnc3ccc4ccc(CC(N)=O)cc4c(=O)c3c2)cn1
InChIKey: UAYZHKCXTSZNKM-UHFFFAOYSA-N
Target: Macrophage-stimulating protein receptor (SINGLE PROTEIN), Homo sapiens
UniProt: Q04912
Assay: Inhibition of RON (unknown origin) by TR-FRET assay
Measurement: IC50 = 861 nM (pChEMBL 6.070000171661377)
Descriptors: MW 344.37, ALogP 2.18, HBA 5, HBD 1, PSA 90.87, QED 0.62