lovingscience/chembl-v37-raw-activities huggingface dataset:
Compound (SMILES): Nc1nc(-c2ccc3c(N)n[nH]c3c2)cc(N2CCCCC2)n1
InChIKey: YVFNRXBPVWUZRV-UHFFFAOYSA-N
Target: Aurora kinase A (SINGLE PROTEIN), Homo sapiens
UniProt: O14965
Assay: Inhibition of aurora A
Measurement: IC50 > 10000 nM (pChEMBL 5)
Descriptors: MW 309.38, ALogP 2.17, HBA 6, HBD 3, PSA 109.74, QED 0.67
Compound (SMILES): CCOc1ccc(/C=C2\SC(c3ccccc3)=NC2=O)cc1
InChIKey: MTEMDBANNKNPMC-VBKFSLOCSA-N
Target: Polyunsaturated fatty acid 5-lipoxygenase (SINGLE PROTEIN), Homo sapiens
UniProt: P09917
Assay: Inhibition of 5-lipoxygenase in human polymorphonuclear leukocytes assessed as inhibition of (5(S)-hydroperoxy-6-trans-8,11,14-cis-eicosatetraenoic acid production preincubated for 15 mins measured after 10 mins by HPLC method
Measurement: IC50 = 2000 nM (pChEMBL 5.699999809265137)
Descriptors: MW 309.39, ALogP 4.15, HBA 3, HBD 0, PSA 38.66, QED 0.8
Compound (SMILES): Cc1ccc(C2=NC(=O)/C(=C/c3cccc(Cl)c3)S2)cc1
InChIKey: HDAMYDZDGGOCEE-GDNBJRDFSA-N
Target: Polyunsaturated fatty acid 5-lipoxygenase (SINGLE PROTEIN), Homo sapiens
UniProt: P09917
Assay: Inhibition of 5-lipoxygenase in human polymorphonuclear leukocytes assessed as inhibition of (5(S)-hydroperoxy-6-trans-8,11,14-cis-eicosatetraenoic acid production preincubated for 15 mins measured after 10 mins by HPLC method
Measurement: IC50 = 580 nM (pChEMBL 6.239999771118164)
Descriptors: MW 313.81, ALogP 4.71, HBA 2, HBD 0, PSA 29.43, QED 0.75
Compound (SMILES): COc1cc(Cl)cc(/C=C2\SC(c3ccccc3)=NC2=O)c1O
InChIKey: GLHVXTUPIGWXRE-ZSOIEALJSA-N
Target: Polyunsaturated fatty acid 5-lipoxygenase (SINGLE PROTEIN), Homo sapiens
UniProt: P09917
Assay: Inhibition of 5-lipoxygenase in human polymorphonuclear leukocytes assessed as inhibition of (5(S)-hydroperoxy-6-trans-8,11,14-cis-eicosatetraenoic acid production preincubated for 15 mins measured after 10 mins by HPLC method
Measurement: IC50 = 650 nM (pChEMBL 6.190000057220459)
Descriptors: MW 345.81, ALogP 4.12, HBA 4, HBD 1, PSA 58.89, QED 0.85
Compound (SMILES): COc1cccc(/C=C2\SC(c3ccccc3)=NC2=O)c1O
InChIKey: CVOOZMVRMIQHQN-UVTDQMKNSA-N
Target: Polyunsaturated fatty acid 5-lipoxygenase (SINGLE PROTEIN), Homo sapiens
UniProt: P09917
Assay: Inhibition of 5-lipoxygenase in human polymorphonuclear leukocytes assessed as inhibition of (5(S)-hydroperoxy-6-trans-8,11,14-cis-eicosatetraenoic acid production preincubated for 15 mins measured after 10 mins by HPLC method
Measurement: IC50 = 480 nM (pChEMBL 6.320000171661377)
Descriptors: MW 311.36, ALogP 3.46, HBA 4, HBD 1, PSA 58.89, QED 0.88
Compound (SMILES): COc1cc(/C=C2\SC(c3ccccc3)=NC2=O)cc([N+](=O)[O-])c1O
InChIKey: XBTFLDWDXOUUKS-ZROIWOOFSA-N
Target: Polyunsaturated fatty acid 5-lipoxygenase (SINGLE PROTEIN), Homo sapiens
UniProt: P09917
Assay: Inhibition of 5-lipoxygenase in human polymorphonuclear leukocytes assessed as inhibition of (5(S)-hydroperoxy-6-trans-8,11,14-cis-eicosatetraenoic acid production preincubated for 15 mins measured after 10 mins by HPLC method
Measurement: IC50 = 4400 nM (pChEMBL 5.360000133514404)
Descriptors: MW 356.36, ALogP 3.37, HBA 6, HBD 1, PSA 102.03, QED 0.51
Compound (SMILES): COc1ccc(/C=C2\SC(c3ccc(C)cc3)=NC2=O)cc1
InChIKey: MPJWONVAQZMDCG-WJDWOHSUSA-N
Target: Polyunsaturated fatty acid 5-lipoxygenase (SINGLE PROTEIN), Homo sapiens
UniProt: P09917
Assay: Inhibition of 5-lipoxygenase in human polymorphonuclear leukocytes assessed as inhibition of (5(S)-hydroperoxy-6-trans-8,11,14-cis-eicosatetraenoic acid production preincubated for 15 mins measured after 10 mins by HPLC method
Measurement: IC50 = 660 nM (pChEMBL 6.179999828338623)
Descriptors: MW 309.39, ALogP 4.06, HBA 3, HBD 0, PSA 38.66, QED 0.8
Compound (SMILES): COc1ccc(OC)c(/C=C2\SC(c3ccc(C)cc3)=NC2=O)c1
InChIKey: CYVSPICIGBHXOG-BOPFTXTBSA-N
Target: Polyunsaturated fatty acid 5-lipoxygenase (SINGLE PROTEIN), Homo sapiens
UniProt: P09917
Assay: Inhibition of 5-lipoxygenase in human polymorphonuclear leukocytes assessed as inhibition of (5(S)-hydroperoxy-6-trans-8,11,14-cis-eicosatetraenoic acid production preincubated for 15 mins measured after 10 mins by HPLC method
Measurement: IC50 = 350 nM (pChEMBL 6.460000038146973)
Descriptors: MW 339.42, ALogP 4.07, HBA 4, HBD 0, PSA 47.89, QED 0.79
Compound (SMILES): COc1ccc(/C=C2\SC(c3ccc(C)cc3)=NC2=O)c(OC)c1OC
InChIKey: AIEJJDMHTCBYGT-WJDWOHSUSA-N
Target: Polyunsaturated fatty acid 5-lipoxygenase (SINGLE PROTEIN), Homo sapiens
UniProt: P09917
Assay: Inhibition of 5-lipoxygenase in human polymorphonuclear leukocytes assessed as inhibition of (5(S)-hydroperoxy-6-trans-8,11,14-cis-eicosatetraenoic acid production preincubated for 15 mins measured after 10 mins by HPLC method
Measurement: IC50 = 2450 nM (pChEMBL 5.610000133514404)
Descriptors: MW 369.44, ALogP 4.08, HBA 5, HBD 0, PSA 57.12, QED 0.74
Compound (SMILES): COc1ccc(/C=C2\SC(c3ccc(C)cc3)=NC2=O)c(OC)c1
InChIKey: LXQFANHJSZJDED-YVLHZVERSA-N
Target: Polyunsaturated fatty acid 5-lipoxygenase (SINGLE PROTEIN), Homo sapiens
UniProt: P09917
Assay: Inhibition of 5-lipoxygenase in human polymorphonuclear leukocytes assessed as inhibition of (5(S)-hydroperoxy-6-trans-8,11,14-cis-eicosatetraenoic acid production preincubated for 15 mins measured after 10 mins by HPLC method
Measurement: IC50 = 2020 nM (pChEMBL 5.699999809265137)
Descriptors: MW 339.42, ALogP 4.07, HBA 4, HBD 0, PSA 47.89, QED 0.79
Compound (SMILES): COc1cccc(/C=C2\SC(c3ccc(C)cc3)=NC2=O)c1O
InChIKey: BCDMYTWXELVGAH-GDNBJRDFSA-N
Target: Polyunsaturated fatty acid 5-lipoxygenase (SINGLE PROTEIN), Homo sapiens
UniProt: P09917
Assay: Inhibition of 5-lipoxygenase in human polymorphonuclear leukocytes assessed as inhibition of (5(S)-hydroperoxy-6-trans-8,11,14-cis-eicosatetraenoic acid production preincubated for 15 mins measured after 10 mins by HPLC method
Measurement: IC50 = 800 nM (pChEMBL 6.099999904632568)
Descriptors: MW 325.39, ALogP 3.77, HBA 4, HBD 1, PSA 58.89, QED 0.87
Compound (SMILES): COc1cc(/C=C2\SC(c3ccc(C)cc3)=NC2=O)cc(Cl)c1O
InChIKey: IRODXHPFBGBFBR-DHDCSXOGSA-N
Target: Polyunsaturated fatty acid 5-lipoxygenase (SINGLE PROTEIN), Homo sapiens
UniProt: P09917
Assay: Inhibition of 5-lipoxygenase in human polymorphonuclear leukocytes assessed as inhibition of (5(S)-hydroperoxy-6-trans-8,11,14-cis-eicosatetraenoic acid production preincubated for 15 mins measured after 10 mins by HPLC method
Measurement: IC50 > 10000 nM (pChEMBL 5)
Descriptors: MW 359.83, ALogP 4.42, HBA 4, HBD 1, PSA 58.89, QED 0.82
Compound (SMILES): CCOc1cc(/C=C2\SC(c3ccc(C)cc3)=NC2=O)cc(Cl)c1O
InChIKey: SUBMRWBVOYVTQQ-YBEGLDIGSA-N
Target: Polyunsaturated fatty acid 5-lipoxygenase (SINGLE PROTEIN), Homo sapiens
UniProt: P09917
Assay: Inhibition of 5-lipoxygenase in human polymorphonuclear leukocytes assessed as inhibition of (5(S)-hydroperoxy-6-trans-8,11,14-cis-eicosatetraenoic acid production preincubated for 15 mins measured after 10 mins by HPLC method
Measurement: IC50 = 2900 nM (pChEMBL 5.539999961853027)
Descriptors: MW 373.86, ALogP 4.81, HBA 4, HBD 1, PSA 58.89, QED 0.78
Compound (SMILES): Cc1ccc(C2=NC(=O)/C(=C/c3ccccc3)S2)cc1
InChIKey: GTPGSIOJZRDYST-PTNGSMBKSA-N
Target: Polyunsaturated fatty acid 5-lipoxygenase (SINGLE PROTEIN), Homo sapiens
UniProt: P09917
Assay: Inhibition of 5-lipoxygenase in human polymorphonuclear leukocytes assessed as inhibition of (5(S)-hydroperoxy-6-trans-8,11,14-cis-eicosatetraenoic acid production preincubated for 15 mins measured after 10 mins by HPLC method
Measurement: IC50 = 730 nM (pChEMBL 6.139999866485596)
Descriptors: MW 279.36, ALogP 4.06, HBA 2, HBD 0, PSA 29.43, QED 0.78
Compound (SMILES): Cc1ccc(C2=NC(=O)/C(=C/C=C/c3ccccc3)S2)cc1
InChIKey: BAKHDDVKDAHLFX-WIXUPIFPSA-N
Target: Polyunsaturated fatty acid 5-lipoxygenase (SINGLE PROTEIN), Homo sapiens
UniProt: P09917
Assay: Inhibition of 5-lipoxygenase in human polymorphonuclear leukocytes assessed as inhibition of (5(S)-hydroperoxy-6-trans-8,11,14-cis-eicosatetraenoic acid production preincubated for 15 mins measured after 10 mins by HPLC method
Measurement: IC50 = 400 nM (pChEMBL 6.400000095367432)
Descriptors: MW 305.4, ALogP 4.61, HBA 2, HBD 0, PSA 29.43, QED 0.77
Compound (SMILES): CC(C)(C)c1ccc(/C=C2\SC(c3ccccc3)=NC2=O)cc1
InChIKey: NGAUPBHNVKFBMN-LGMDPLHJSA-N
Target: Polyunsaturated fatty acid 5-lipoxygenase (SINGLE PROTEIN), Homo sapiens
UniProt: P09917
Assay: Inhibition of 5-lipoxygenase in human polymorphonuclear leukocytes assessed as inhibition of (5(S)-hydroperoxy-6-trans-8,11,14-cis-eicosatetraenoic acid production preincubated for 15 mins measured after 10 mins by HPLC method
Measurement: IC50 = 910 nM (pChEMBL 6.039999961853027)
Descriptors: MW 321.45, ALogP 5.05, HBA 2, HBD 0, PSA 29.43, QED 0.72
Compound (SMILES): O=C1N=C(c2ccccc2)S/C1=C\c1c2ccccc2cc2ccccc12
InChIKey: MHCUXQRUZHKYGN-JCMHNJIXSA-N
Target: Polyunsaturated fatty acid 5-lipoxygenase (SINGLE PROTEIN), Homo sapiens
UniProt: P09917
Assay: Inhibition of 5-lipoxygenase in human polymorphonuclear leukocytes assessed as inhibition of (5(S)-hydroperoxy-6-trans-8,11,14-cis-eicosatetraenoic acid production preincubated for 15 mins measured after 10 mins by HPLC method
Measurement: IC50 = 4300 nM (pChEMBL 5.369999885559082)
Descriptors: MW 365.46, ALogP 6.05, HBA 2, HBD 0, PSA 29.43, QED 0.32
Compound (SMILES): COc1ccc(/C=C2\SC(c3ccc(Cl)cc3)=NC2=O)cc1
InChIKey: BYPSEBXZQCBFIP-GDNBJRDFSA-N
Target: Polyunsaturated fatty acid 5-lipoxygenase (SINGLE PROTEIN), Homo sapiens
UniProt: P09917
Assay: Inhibition of 5-lipoxygenase in human polymorphonuclear leukocytes assessed as inhibition of (5(S)-hydroperoxy-6-trans-8,11,14-cis-eicosatetraenoic acid production preincubated for 15 mins measured after 10 mins by HPLC method
Measurement: IC50 = 280 nM (pChEMBL 6.550000190734863)
Descriptors: MW 329.81, ALogP 4.41, HBA 3, HBD 0, PSA 38.66, QED 0.78
Compound (SMILES): COc1ccc(/C=C2\SC(c3ccccc3)=NC2=O)cc1
InChIKey: XJDDNBQXWPCSCW-PTNGSMBKSA-N
Target: Polyunsaturated fatty acid 5-lipoxygenase (SINGLE PROTEIN), Homo sapiens
UniProt: P09917
Assay: Inhibition of 5-lipoxygenase in human polymorphonuclear leukocytes assessed as inhibition of (5(S)-hydroperoxy-6-trans-8,11,14-cis-eicosatetraenoic acid production preincubated for 15 mins measured after 10 mins by HPLC method
Measurement: IC50 = 530 nM (pChEMBL 6.28000020980835)
Descriptors: MW 295.36, ALogP 3.76, HBA 3, HBD 0, PSA 38.66, QED 0.81
Compound (SMILES): COC(=O)COc1ccc(/C=C2\SC(c3ccc(C)cc3)=NC2=O)cc1
InChIKey: CYHJKSMJJUKKSB-BOPFTXTBSA-N
Target: Polyunsaturated fatty acid 5-lipoxygenase (SINGLE PROTEIN), Homo sapiens
UniProt: P09917
Assay: Inhibition of 5-lipoxygenase in human polymorphonuclear leukocytes assessed as inhibition of (5(S)-hydroperoxy-6-trans-8,11,14-cis-eicosatetraenoic acid production preincubated for 15 mins measured after 10 mins by HPLC method
Measurement: IC50 = 2110 nM (pChEMBL 5.679999828338623)
Descriptors: MW 367.43, ALogP 3.61, HBA 5, HBD 0, PSA 64.96, QED 0.6
Compound (SMILES): COC(=O)COc1ccc(C2=NC(=O)/C(=C/c3ccc(OC)cc3)S2)cc1
InChIKey: HCIAIPCMYHDJDP-BOPFTXTBSA-N
Target: Polyunsaturated fatty acid 5-lipoxygenase (SINGLE PROTEIN), Homo sapiens
UniProt: P09917
Assay: Inhibition of 5-lipoxygenase in human polymorphonuclear leukocytes assessed as inhibition of (5(S)-hydroperoxy-6-trans-8,11,14-cis-eicosatetraenoic acid production preincubated for 15 mins measured after 10 mins by HPLC method
Measurement: IC50 = 860 nM (pChEMBL 6.070000171661377)
Descriptors: MW 383.43, ALogP 3.31, HBA 6, HBD 0, PSA 74.19, QED 0.56
Compound (SMILES): COc1ccc(/C=C2\SC(c3ccc(O)cc3)=NC2=O)cc1
InChIKey: ZXRNAFCCXNZJIC-GDNBJRDFSA-N
Target: Polyunsaturated fatty acid 5-lipoxygenase (SINGLE PROTEIN), Homo sapiens
UniProt: P09917
Assay: Inhibition of 5-lipoxygenase in human polymorphonuclear leukocytes assessed as inhibition of (5(S)-hydroperoxy-6-trans-8,11,14-cis-eicosatetraenoic acid production preincubated for 15 mins measured after 10 mins by HPLC method
Measurement: IC50 = 1690 nM (pChEMBL 5.769999980926514)
Descriptors: MW 311.36, ALogP 3.46, HBA 4, HBD 1, PSA 58.89, QED 0.88
Compound (SMILES): COc1ccc(/C=C2\SC(c3ccc(OC)cc3)=NC2=O)cc1
InChIKey: YLMMKMOIJVMZTL-WJDWOHSUSA-N
Target: Polyunsaturated fatty acid 5-lipoxygenase (SINGLE PROTEIN), Homo sapiens
UniProt: P09917
Assay: Inhibition of 5-lipoxygenase in human polymorphonuclear leukocytes assessed as inhibition of (5(S)-hydroperoxy-6-trans-8,11,14-cis-eicosatetraenoic acid production preincubated for 15 mins measured after 10 mins by HPLC method
Measurement: IC50 = 320 nM (pChEMBL 6.5)
Descriptors: MW 325.39, ALogP 3.76, HBA 4, HBD 0, PSA 47.89, QED 0.8
Compound (SMILES): COc1ccc(/C=C2\SC(c3ccc(N)cc3)=NC2=O)cc1
InChIKey: SMKUWLPJDRLBCV-GDNBJRDFSA-N
Target: Polyunsaturated fatty acid 5-lipoxygenase (SINGLE PROTEIN), Homo sapiens
UniProt: P09917
Assay: Inhibition of 5-lipoxygenase in human polymorphonuclear leukocytes assessed as inhibition of (5(S)-hydroperoxy-6-trans-8,11,14-cis-eicosatetraenoic acid production preincubated for 15 mins measured after 10 mins by HPLC method
Measurement: IC50 = 1930 nM (pChEMBL 5.710000038146973)
Descriptors: MW 310.38, ALogP 3.34, HBA 4, HBD 1, PSA 64.68, QED 0.7
Compound (SMILES): COc1ccc(/C=C2\SC(c3ccc(C(C)=O)cc3)=NC2=O)cc1
InChIKey: MILVTQPQJYSNHS-BOPFTXTBSA-N
Target: Polyunsaturated fatty acid 5-lipoxygenase (SINGLE PROTEIN), Homo sapiens
UniProt: P09917
Assay: Inhibition of 5-lipoxygenase in human polymorphonuclear leukocytes assessed as inhibition of (5(S)-hydroperoxy-6-trans-8,11,14-cis-eicosatetraenoic acid production preincubated for 15 mins measured after 10 mins by HPLC method
Measurement: IC50 = 550 nM (pChEMBL 6.260000228881836)
Descriptors: MW 337.4, ALogP 3.96, HBA 4, HBD 0, PSA 55.73, QED 0.63
Compound (SMILES): COc1ccc(/C=C2\SC(c3cccc(C(C)=O)c3)=NC2=O)cc1
InChIKey: YEZORZFUHQGQBP-YVLHZVERSA-N
Target: Polyunsaturated fatty acid 5-lipoxygenase (SINGLE PROTEIN), Homo sapiens
UniProt: P09917
Assay: Inhibition of 5-lipoxygenase in human polymorphonuclear leukocytes assessed as inhibition of (5(S)-hydroperoxy-6-trans-8,11,14-cis-eicosatetraenoic acid production preincubated for 15 mins measured after 10 mins by HPLC method
Measurement: IC50 = 380 nM (pChEMBL 6.420000076293945)
Descriptors: MW 337.4, ALogP 3.96, HBA 4, HBD 0, PSA 55.73, QED 0.63
Compound (SMILES): COc1ccc(/C=C2\SC(c3cccc(F)c3)=NC2=O)cc1
InChIKey: HJPRUBRUVXSWSI-DHDCSXOGSA-N
Target: Polyunsaturated fatty acid 5-lipoxygenase (SINGLE PROTEIN), Homo sapiens
UniProt: P09917
Assay: Inhibition of 5-lipoxygenase in human polymorphonuclear leukocytes assessed as inhibition of (5(S)-hydroperoxy-6-trans-8,11,14-cis-eicosatetraenoic acid production preincubated for 15 mins measured after 10 mins by HPLC method
Measurement: IC50 = 240 nM (pChEMBL 6.619999885559082)
Descriptors: MW 313.35, ALogP 3.9, HBA 3, HBD 0, PSA 38.66, QED 0.81
Compound (SMILES): O=C1N=C(c2ccc(Cl)cc2)S/C1=C\c1ccc(O)cc1
InChIKey: KKACZNLFAPBMCS-ZROIWOOFSA-N
Target: Polyunsaturated fatty acid 5-lipoxygenase (SINGLE PROTEIN), Homo sapiens
UniProt: P09917
Assay: Inhibition of 5-lipoxygenase in human polymorphonuclear leukocytes assessed as inhibition of (5(S)-hydroperoxy-6-trans-8,11,14-cis-eicosatetraenoic acid production preincubated for 15 mins measured after 10 mins by HPLC method
Measurement: IC50 = 400 nM (pChEMBL 6.400000095367432)
Descriptors: MW 315.78, ALogP 4.11, HBA 3, HBD 1, PSA 49.66, QED 0.85
Compound (SMILES): Cc1ccc(/C=C2\SC(Nc3ccc4ccccc4c3)=NC2=O)cc1
InChIKey: STMONKONLHGOSP-UNOMPAQXSA-N
Target: Polyunsaturated fatty acid 5-lipoxygenase (SINGLE PROTEIN), Homo sapiens
UniProt: P09917
Assay: Inhibition of 5-lipoxygenase in human polymorphonuclear leukocytes assessed as inhibition of (5(S)-hydroperoxy-6-trans-8,11,14-cis-eicosatetraenoic acid production preincubated for 15 mins measured after 10 mins by HPLC method
Measurement: IC50 > 30000 nM (pChEMBL 4.5229997634887695)
Descriptors: MW 344.44, ALogP 5.23, HBA 3, HBD 1, PSA 41.46, QED 0.65
Compound (SMILES): COc1ccc(/C=C2\SC(N3CCCC3)=NC2=O)cc1
InChIKey: SQTYFQKACUMXOM-RAXLEYEMSA-N
Target: Polyunsaturated fatty acid 5-lipoxygenase (SINGLE PROTEIN), Homo sapiens
UniProt: P09917
Assay: Inhibition of 5-lipoxygenase in human polymorphonuclear leukocytes assessed as inhibition of (5(S)-hydroperoxy-6-trans-8,11,14-cis-eicosatetraenoic acid production preincubated for 15 mins measured after 10 mins by HPLC method
Measurement: IC50 > 30000 nM (pChEMBL 4.5229997634887695)
Descriptors: MW 288.37, ALogP 2.76, HBA 4, HBD 0, PSA 41.9, QED 0.78
Compound (SMILES): CCCOc1ccc(/C=C2\SC(N3CCCCCC3)=NC2=O)cc1
InChIKey: HBCNJRMMCMPHMP-VKAVYKQESA-N
Target: Polyunsaturated fatty acid 5-lipoxygenase (SINGLE PROTEIN), Homo sapiens
UniProt: P09917
Assay: Inhibition of 5-lipoxygenase in human polymorphonuclear leukocytes assessed as inhibition of (5(S)-hydroperoxy-6-trans-8,11,14-cis-eicosatetraenoic acid production preincubated for 15 mins measured after 10 mins by HPLC method
Measurement: IC50 = 12000 nM (pChEMBL 4.920000076293945)
Descriptors: MW 344.48, ALogP 4.32, HBA 4, HBD 0, PSA 41.9, QED 0.76
Compound (SMILES): CCCCCCC1=C(c2ccccc2)[C@]2(OCC)CCC[C@@H]2C1
InChIKey: DTLDZNVFJVINHS-IRLDBZIGSA-N
Target: Nuclear receptor subfamily 5 group A member 2 (SINGLE PROTEIN), Homo sapiens
UniProt: O00482
Assay: Agonist activity at human LRH-1 receptor assessed as TIF2 737-757 peptide recruitment by TR-FRET assay relative to control
Measurement: EC50 = 2511.89 nM (pChEMBL 5.599999904632568)
Descriptors: MW 312.5, ALogP 6.39, HBA 1, HBD 0, PSA 9.23, QED 0.51
Compound (SMILES): CCCCCCC1=C(c2ccccc2)[C@]2(OCCC)CCC[C@@H]2C1
InChIKey: GEPHZVSZKVIRFK-GGAORHGYSA-N
Target: Nuclear receptor subfamily 5 group A member 2 (SINGLE PROTEIN), Homo sapiens
UniProt: O00482
Assay: Agonist activity at human LRH-1 receptor assessed as TIF2 737-757 peptide recruitment by TR-FRET assay relative to control
Measurement: EC50 = 2511.89 nM (pChEMBL 5.599999904632568)
Descriptors: MW 326.52, ALogP 6.78, HBA 1, HBD 0, PSA 9.23, QED 0.45
Compound (SMILES): CCCCCCC1=C(c2ccccc2)[C@]2(OC(C)C)CCC[C@@H]2C1
InChIKey: NQIPLFBDRHOKAC-GGAORHGYSA-N
Target: Nuclear receptor subfamily 5 group A member 2 (SINGLE PROTEIN), Homo sapiens
UniProt: O00482
Assay: Agonist activity at human LRH-1 receptor assessed as TIF2 737-757 peptide recruitment by TR-FRET assay relative to control
Measurement: EC50 = 3162.28 nM (pChEMBL 5.5)
Descriptors: MW 326.52, ALogP 6.78, HBA 1, HBD 0, PSA 9.23, QED 0.48
Compound (SMILES): CCCCCCC1=C(c2ccccc2)[C@]2(OCCCC)CCC[C@@H]2C1
InChIKey: UYFAJLJRTFUEAR-VWNXMTODSA-N
Target: Nuclear receptor subfamily 5 group A member 2 (SINGLE PROTEIN), Homo sapiens
UniProt: O00482
Assay: Agonist activity at human LRH-1 receptor assessed as TIF2 737-757 peptide recruitment by TR-FRET assay relative to control
Measurement: EC50 = 5011.87 nM (pChEMBL 5.300000190734863)
Descriptors: MW 340.55, ALogP 7.17, HBA 1, HBD 0, PSA 9.23, QED 0.41
Compound (SMILES): CCCCCCC1=C(c2ccccc2)[C@]2(OCC(C)CC)CCC[C@@H]2C1
InChIKey: RMTGTFVDFHBPQH-CSGRTZOKSA-N
Target: Nuclear receptor subfamily 5 group A member 2 (SINGLE PROTEIN), Homo sapiens
UniProt: O00482
Assay: Agonist activity at human LRH-1 receptor assessed as TIF2 737-757 peptide recruitment by TR-FRET assay relative to control
Measurement: EC50 = 2511.89 nM (pChEMBL 5.599999904632568)
Descriptors: MW 354.58, ALogP 7.42, HBA 1, HBD 0, PSA 9.23, QED 0.4
Compound (SMILES): CCCCCCC1=C(c2ccccc2)[C@]2(OC3CCCCC3)CCC[C@@H]2C1
InChIKey: OJGKQCGEXWAXEK-BVAGGSTKSA-N
Target: Nuclear receptor subfamily 5 group A member 2 (SINGLE PROTEIN), Homo sapiens
UniProt: O00482
Assay: Agonist activity at human LRH-1 receptor assessed as TIF2 737-757 peptide recruitment by TR-FRET assay relative to control
Measurement: EC50 = 794.33 nM (pChEMBL 6.099999904632568)
Descriptors: MW 366.59, ALogP 7.7, HBA 1, HBD 0, PSA 9.23, QED 0.43
Compound (SMILES): C=C(c1ccccc1)[C@@]12CCC[C@@H]1CC(CCCCCC)=C2c1ccccc1
InChIKey: JJRWSTJALNLTQY-IAPPQJPRSA-N
Target: Nuclear receptor subfamily 5 group A member 2 (SINGLE PROTEIN), Homo sapiens
UniProt: O00482
Assay: Agonist activity at human LRH-1 receptor assessed as TIF2 737-757 peptide recruitment by TR-FRET assay relative to control
Measurement: EC50 = 251.19 nM (pChEMBL 6.599999904632568)
Descriptors: MW 370.58, ALogP 8.31, HBA 0, HBD 0, PSA 0, QED 0.41
Compound (SMILES): C=C(c1cccc(OC)c1)[C@@]12CCC[C@@H]1CC(CCCCCC)=C2c1ccccc1
InChIKey: SPSJDFGNORLEBO-UHSQPCAPSA-N
Target: Nuclear receptor subfamily 5 group A member 2 (SINGLE PROTEIN), Homo sapiens
UniProt: O00482
Assay: Agonist activity at human LRH-1 receptor assessed as TIF2 737-757 peptide recruitment by TR-FRET assay relative to control
Measurement: EC50 = 316.23 nM (pChEMBL 6.5)
Descriptors: MW 400.61, ALogP 8.32, HBA 1, HBD 0, PSA 9.23, QED 0.38
Compound (SMILES): C=C(c1ccc(C)cc1)[C@@]12CCC[C@@H]1CC(CCCCCC)=C2c1ccccc1
InChIKey: FYEYHWGWDCIOKG-PXJZQJOASA-N
Target: Nuclear receptor subfamily 5 group A member 2 (SINGLE PROTEIN), Homo sapiens
UniProt: O00482
Assay: Agonist activity at human LRH-1 receptor assessed as TIF2 737-757 peptide recruitment by TR-FRET assay relative to control
Measurement: EC50 = 1995.26 nM (pChEMBL 5.699999809265137)
Descriptors: MW 384.61, ALogP 8.62, HBA 0, HBD 0, PSA 0, QED 0.4
Compound (SMILES): CC1(C)C(/C=C/C=C/C=C/C=C2/N(CCC(=O)N[C@H]3CSSC[C@@H](C(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC3=O)c3ccc4ccccc4c3C2(C)C)=[N+](CCC(=O)O)c2ccc3ccccc3c21
InChIKey: IKOXJFTVLXNVJZ-IWWWZYECSA-O
Target: Integrin alpha-V/beta-3 (PROTEIN COMPLEX), Homo sapiens
UniProt: P05106
Assay: Displacement of [125I]echistatin from human integrin alpha5beta3 expressed in human A549 cells by binding assay
Measurement: IC50 = 4600 nM (pChEMBL 5.340000152587891)
Descriptors: MW 1157.41
Compound (SMILES): CC1(C)C(/C=C/C=C/C=C/C=C2/N(CCC(=O)NCCCC[C@@H]3NC(=O)[C@@H](Cc4ccccc4)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC3=O)c3ccc4ccccc4c3C2(C)C)=[N+](CCC(=O)O)c2ccc3ccccc3c21
InChIKey: HVDDJMWVUNHMDN-LJXIWWHMSA-O
Target: Integrin alpha-V/beta-3 (PROTEIN COMPLEX), Homo sapiens
UniProt: P05106
Assay: Displacement of [125I]echistatin from human integrin alpha5beta3 expressed in human A549 cells by binding assay
Measurement: IC50 = 720 nM (pChEMBL 6.139999866485596)
Descriptors: MW 1211.45
Compound (SMILES): CC1(C)C(/C=C/C=C/C=C/C=C2/N(CCC(=O)N[C@H]3CSSC[C@@H](C(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]4CCCN4C(=O)[C@H](CCCNC(=N)N)NC3=O)c3ccc4ccccc4c3C2(C)C)=[N+](CCC(=O)O)c2ccc3ccccc3c21
InChIKey: GNTSHRQIGPPODG-GANWNZNHSA-O
Target: Integrin alpha-V/beta-3 (PROTEIN COMPLEX), Homo sapiens
UniProt: P05106
Assay: Displacement of [125I]echistatin from human integrin alpha5beta3 expressed in human A549 cells by binding assay
Measurement: IC50 > 10000 nM (pChEMBL 5)
Descriptors: MW 1197.47
Compound (SMILES): CC(C)[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)CCN2/C(=C/C=C/C=C/C=C/C3=[N+](CCC(=O)O)c4ccc5ccccc5c4C3(C)C)C(C)(C)c3c2ccc2ccccc32)CSSC[C@@H](C(N)=O)NC(=O)[C@H](CC(=O)O)NC1=O
InChIKey: JMHWWTGNPIQPJF-NKKYLYSISA-O
Target: Integrin alpha-V/beta-3 (PROTEIN COMPLEX), Homo sapiens
UniProt: P05106
Assay: Displacement of [125I]echistatin from human integrin alpha5beta3 expressed in human A549 cells by binding assay
Measurement: IC50 > 10000 nM (pChEMBL 5)
Descriptors: MW 1199.49
Compound (SMILES): CC1(C)C(/C=C/C=C/C=C/C=C2/N(CCC(=O)N[C@H]3CSSC[C@@H](C(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc4ccc(O)cc4)NC(=O)[C@H](CCCNC(=N)N)NC3=O)c3ccc4ccccc4c3C2(C)C)=[N+](CCC(=O)O)c2ccc3ccccc3c21
InChIKey: FVYWZMUBQQPKDB-SAVBYNOOSA-O
Target: Integrin alpha-V/beta-3 (PROTEIN COMPLEX), Homo sapiens
UniProt: P05106
Assay: Displacement of [125I]echistatin from human integrin alpha5beta3 expressed in human A549 cells by binding assay
Measurement: IC50 > 10000 nM (pChEMBL 5)
Descriptors: MW 1263.53
Compound (SMILES): COCCCc1cc(CN(C(=O)[C@H]2CNCC[C@@H]2c2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)C2CC2)cc(OC[C@H]2C[C@@H]2C(=O)NS(C)(=O)=O)c1
InChIKey: GVPWTNYUPQDJAS-QYSAAILDSA-N
Target: Voltage-gated inwardly rectifying potassium channel KCNH2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q12809
Assay: Binding affinity to human ERG
Measurement: Ki = 500 nM (pChEMBL 6.300000190734863)
Descriptors: MW 816.84, ALogP 6.31, HBA 9, HBD 2, PSA 132.5, QED 0.13
Compound (SMILES): COCCCc1cc(CN(C(=O)[C@H]2CNCC[C@@H]2c2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)C2CC2)cc(OCC2(Cc3nn[nH]n3)CC2)c1
InChIKey: UQAYVLAYSNHNRH-GPOMZPHUSA-N
Target: Voltage-gated inwardly rectifying potassium channel KCNH2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q12809
Assay: Binding affinity to human ERG
Measurement: Ki = 500 nM (pChEMBL 6.300000190734863)
Descriptors: MW 777.79, ALogP 7.14, HBA 9, HBD 2, PSA 123.72, QED 0.1
Compound (SMILES): CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@]2(C)C(C(C)=O)=CC[C@@H]32)C1
InChIKey: MZWRIOUCMXPLKV-RFOVXIPZSA-N
Target: Dipeptidyl peptidase 4 (SINGLE PROTEIN), Homo sapiens
UniProt: P27487
Assay: Inhibition of human DPP-4 assessed as cleavage of substrate using H-Gly-Pro-AMC chromogenic substrate after 10 mins by double beam spectrophotometer
Measurement: IC50 = 35600 nM (pChEMBL 4.449999809265137)
Descriptors: MW 356.51, ALogP 5.01, HBA 3, HBD 0, PSA 43.37, QED 0.52
Compound (SMILES): Nc1nc(Nc2cccnc2)sc1C(=O)c1ccccc1F
InChIKey: XHJMMMPXTUEBMQ-UHFFFAOYSA-N
Target: Microtubule-associated protein tau (SINGLE PROTEIN), Rattus norvegicus
UniProt: P19332
Assay: Inhibition of tau protein phosphorylation at Ser396 in rat brain cells at 0.5 to 50 uM after 4 hrs
Measurement: EC50 = 5500 nM (pChEMBL 5.260000228881836)
Descriptors: MW 314.35, ALogP 3.23, HBA 6, HBD 2, PSA 80.9, QED 0.72
Compound (SMILES): CC1COc2ccccc2N1C(=O)N1CCC(c2c[nH]cn2)CC1
InChIKey: IKCNXAIMXSHWAH-UHFFFAOYSA-N
Target: Cytochrome P450 3A4 (SINGLE PROTEIN), Homo sapiens
UniProt: P08684
Assay: Inhibition of CYP3A4
Measurement: IC50 < 1000 nM (pChEMBL 6)
Descriptors: MW 326.4, ALogP 3, HBA 3, HBD 1, PSA 61.46, QED 0.88
Compound (SMILES): O=C(N1CCC(c2c[nH]cn2)CC1)N1CCCc2ccccc21
InChIKey: UTSIHHDNMUZNMG-UHFFFAOYSA-N
Target: Cytochrome P450 3A4 (SINGLE PROTEIN), Homo sapiens
UniProt: P08684
Assay: Inhibition of CYP3A4
Measurement: IC50 < 1000 nM (pChEMBL 6)
Descriptors: MW 310.4, ALogP 3.16, HBA 2, HBD 1, PSA 52.23, QED 0.88
Compound (SMILES): O=C(N1CCC(c2cn[nH]c2)CC1)N1CCCc2ccccc21
InChIKey: XRXOWLSSJZUJBB-UHFFFAOYSA-N
Target: Cytochrome P450 3A4 (SINGLE PROTEIN), Homo sapiens
UniProt: P08684
Assay: Inhibition of CYP3A4
Measurement: IC50 > 10000 nM (pChEMBL 5)
Descriptors: MW 310.4, ALogP 3.16, HBA 2, HBD 1, PSA 52.23, QED 0.88
Compound (SMILES): COc1ccc(-c2cnc(N3CCN(C(=O)N4CCC(c5cn[nH]c5)C4)c4ccccc43)nc2)cc1
InChIKey: RHSTYEXBNNRSAD-UHFFFAOYSA-N
Target: 11-beta-hydroxysteroid dehydrogenase type 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P80365
Assay: Inhibition of human recombinant 11beta-HSD2
Measurement: IC50 > 10000 nM (pChEMBL 5)
Descriptors: MW 481.56, ALogP 4.44, HBA 6, HBD 1, PSA 90.48, QED 0.46
Compound (SMILES): C[C@@H]1CN(C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)N2CCC(C(=O)NC(C)(C)C)(C3CCCCC3)CC2)C[C@H](C)N1
InChIKey: IVOZSKOYXPHCOQ-QSEAXJEQSA-N
Target: Melanocortin receptor 4 (SINGLE PROTEIN), Homo sapiens
UniProt: P32245
Assay: Displacement of [125I]NDP-alpha-MSH from human MC4 receptor expressed in CHO cells
Measurement: IC50 = 4.9 nM (pChEMBL 8.3100004196167)
Descriptors: MW 571.78, ALogP 4.23, HBA 4, HBD 3, PSA 93.78, QED 0.48
Compound (SMILES): CC[C@@H]1CN(C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)N2CCC(C(=O)NC(C)(C)C)(C3CCCCC3)CC2)C[C@H](CC)N1
InChIKey: ZQDYFCAQLYEQJM-SSBOKUKZSA-N
Target: Melanocortin receptor 4 (SINGLE PROTEIN), Homo sapiens
UniProt: P32245
Assay: Displacement of [125I]NDP-alpha-MSH from human MC4 receptor expressed in CHO cells
Measurement: IC50 = 4.7 nM (pChEMBL 8.329999923706055)
Descriptors: MW 599.84, ALogP 5.01, HBA 4, HBD 3, PSA 93.78, QED 0.39
Compound (SMILES): C[C@@H]1CN(C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)N2CCC(C(=O)NC(C)(C)C)(C3CCCCC3)CC2)C[C@H](C)N1C
InChIKey: JMZSDACYKDRROH-FMGHJNRGSA-N
Target: Melanocortin receptor 4 (SINGLE PROTEIN), Homo sapiens
UniProt: P32245
Assay: Displacement of [125I]NDP-alpha-MSH from human MC4 receptor expressed in CHO cells
Measurement: IC50 = 16 nM (pChEMBL 7.800000190734863)
Descriptors: MW 585.81, ALogP 4.57, HBA 4, HBD 2, PSA 84.99, QED 0.51
Compound (SMILES): C[C@@H]1CN(C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)N2CCC(C(=O)NC(C)(C)C)(C3CCCCC3)CC2)C[C@@H](C)N1
InChIKey: IVOZSKOYXPHCOQ-AZSVPQILSA-N
Target: Melanocortin receptor 3 (SINGLE PROTEIN), Homo sapiens
UniProt: P41968
Assay: Displacement of [125I]NDP-alpha-MSH from human MC3 receptor expressed in CHO cells
Measurement: IC50 = 970 nM (pChEMBL 6.010000228881836)
Descriptors: MW 571.78, ALogP 4.23, HBA 4, HBD 3, PSA 93.78, QED 0.48
Compound (SMILES): C[C@H]1CN(C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)N2CCC(C(=O)NC(C)(C)C)(C3CCCCC3)CC2)C[C@H](C)N1
InChIKey: IVOZSKOYXPHCOQ-VMODYCNZSA-N
Target: Melanocortin receptor 4 (SINGLE PROTEIN), Homo sapiens
UniProt: P32245
Assay: Displacement of [125I]NDP-alpha-MSH from human MC4 receptor expressed in CHO cells
Measurement: IC50 = 12 nM (pChEMBL 7.920000076293945)
Descriptors: MW 571.78, ALogP 4.23, HBA 4, HBD 3, PSA 93.78, QED 0.48
Compound (SMILES): COc1cc2ncnc(Nc3ccc(NC(C)=O)cc3)c2cc1OC
InChIKey: VYDHNVNGKIOQFA-UHFFFAOYSA-N
Target: Dual specificity protein kinase CLK1 (SINGLE PROTEIN), Homo sapiens
UniProt: P49759
Assay: Inhibition of human recombinant GST-fused CLK1 expressed in Escherichia coli using GRSRSRSRSRSR as substrate
Measurement: IC50 > 10000 nM (pChEMBL 5)
Descriptors: MW 338.37, ALogP 3.35, HBA 6, HBD 2, PSA 85.37, QED 0.74
Compound (SMILES): [Br-].[Br-].c1ccc2c(c1)ccc[n+]2Cc1ccc2ccc(C[n+]3cccc4ccccc43)cc2c1
InChIKey: RLVIMVBYHWPKNP-UHFFFAOYSA-L
Target: Acetylcholinesterase (SINGLE PROTEIN), Homo sapiens
UniProt: P22303
Assay: Inhibition of human erythrocytes recombinant AChE assessed as dissociation constant for enzyme-inhibitor complex
Measurement: Ki = 2300 nM (pChEMBL 5.639999866485596)
Descriptors: MW 412.54, ALogP 5.82, HBA 0, HBD 0, PSA 7.76, QED 0.32
Compound (SMILES): CC[C@@H]1CN(C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)N2CCC(C(=O)NC(C)(C)C)(C3CCCCC3)CC2)C[C@@H](CC)N1
InChIKey: ZQDYFCAQLYEQJM-MPFGFTFXSA-N
Target: Melanocortin receptor 4 (SINGLE PROTEIN), Homo sapiens
UniProt: P32245
Assay: Displacement of [125I]NDP-alpha-MSH from human MC4 receptor expressed in CHO cells
Measurement: IC50 = 5.1 nM (pChEMBL 8.289999961853027)
Descriptors: MW 599.84, ALogP 5.01, HBA 4, HBD 3, PSA 93.78, QED 0.39
Compound (SMILES): C[C@@H]1CN(C(=O)N[C@H](Cc2ccc(Cl)cc2)C(=O)N2CCC(C(=O)NC(C)(C)C)(C3CCCCC3)CC2)C[C@H](C)N1
InChIKey: SZGSXARYIZZWDD-QSEAXJEQSA-N
Target: Melanocortin receptor 4 (SINGLE PROTEIN), Homo sapiens
UniProt: P32245
Assay: Displacement of [125I]NDP-alpha-MSH from human MC4 receptor expressed in CHO cells
Measurement: IC50 = 0.78 nM (pChEMBL 9.109999656677246)
Descriptors: MW 588.24, ALogP 4.75, HBA 4, HBD 3, PSA 93.78, QED 0.45
Compound (SMILES): CCOC(=O)CN1C(=O)C(=O)N(Cc2ccccc2)C1=O
InChIKey: GWNYBYFEIPDOHJ-UHFFFAOYSA-N
Target: Pyruvate carboxylase (SINGLE PROTEIN), Staphylococcus aureus (strain Mu50 / ATCC 700699)
UniProt: A0A0H3JRU9
Assay: Mixed type inhibition of Staphylococcus aureus pyruvate carboxylase assessed as inhibition constant pretreated with pyruvate followed by ATP, HCO3- and NADH addition by steady state kinetic analysis
Measurement: Ki = 580 nM (pChEMBL 6.239999771118164)
Descriptors: MW 290.28, ALogP 0.54, HBA 5, HBD 0, PSA 83.99, QED 0.45
Compound (SMILES): CC(=O)NC[C@H]1CC[C@H](c2nc(-c3cc4ccccc4[nH]3)c3c(N)nccn32)CC1
InChIKey: MKMYAVUUMSCFQQ-WKILWMFISA-N
Target: RAF proto-oncogene serine/threonine-protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: P04049
Assay: Inhibition of cRaf
Measurement: IC50 = 180 nM (pChEMBL 6.75)
Descriptors: MW 402.5, ALogP 3.87, HBA 5, HBD 3, PSA 101.1, QED 0.48
Compound (SMILES): CN(C)C(=O)N1CCC(c2nc(-c3cc4ccccc4[nH]3)c3c(N)nccn23)CC1
InChIKey: AMCOPXBOIWZWHG-UHFFFAOYSA-N
Target: RAF proto-oncogene serine/threonine-protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: P04049
Assay: Inhibition of cRaf
Measurement: IC50 = 1700 nM (pChEMBL 5.769999980926514)
Descriptors: MW 403.49, ALogP 3.32, HBA 5, HBD 2, PSA 95.55, QED 0.54
Compound (SMILES): COc1cc2c(-c3cc4cccnc4[nH]3)cn(C)c2cc1OC
InChIKey: GZRCWJUTTURNJO-UHFFFAOYSA-N
Target: Insulin-like growth factor 1 receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08069
Assay: Inhibition of IGF-induced autophosphosphorylation of GST-tagged human IGF1R expressed in baculovirus-SF21 cell system preincubated for 5 mins by time resolved-fluorescent assay
Measurement: IC50 = 34 nM (pChEMBL 7.46999979019165)
Descriptors: MW 307.35, ALogP 3.74, HBA 4, HBD 1, PSA 52.07, QED 0.63
Compound (SMILES): CC1(C)C(=O)N(c2ccc(SC(F)(F)F)cc2)C(=O)N1Cc1ccncc1
InChIKey: VZTJDCKYPWZRFM-UHFFFAOYSA-N
Target: Insulin-like growth factor 1 receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08069
Assay: Inhibition of IGF-induced autophosphosphorylation of GST-tagged human IGF1R expressed in SF21 cells after 10 mins by time resolved-fluorescent assay
Measurement: IC50 = 264 nM (pChEMBL 6.579999923706055)
Descriptors: MW 395.41, ALogP 4.44, HBA 4, HBD 0, PSA 53.51, QED 0.57
Compound (SMILES): CNc1cc(CN2C(=O)N(c3ccc(SC(F)(F)F)cc3)C(=O)C2(C)C)ccn1
InChIKey: JCQXXRQZZUXOPX-UHFFFAOYSA-N
Target: Insulin-like growth factor 1 receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08069
Assay: Inhibition of IGF-induced autophosphosphorylation of GST-tagged human IGF1R expressed in SF21 cells after 10 mins by time resolved-fluorescent assay
Measurement: IC50 = 202 nM (pChEMBL 6.699999809265137)
Descriptors: MW 424.45, ALogP 4.48, HBA 5, HBD 1, PSA 65.54, QED 0.57
Compound (SMILES): CCNc1cc(CN2C(=O)N(c3ccc(SC(F)(F)F)cc3)C(=O)C2(C)C)ccn1
InChIKey: VGMFSXIEWAKOFX-UHFFFAOYSA-N
Target: Insulin-like growth factor 1 receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08069
Assay: Inhibition of IGF-induced autophosphosphorylation of GST-tagged human IGF1R expressed in SF21 cells after 10 mins by time resolved-fluorescent assay
Measurement: IC50 = 154 nM (pChEMBL 6.809999942779541)
Descriptors: MW 438.48, ALogP 4.87, HBA 5, HBD 1, PSA 65.54, QED 0.51
Compound (SMILES): CC(=O)Nc1cc(CN2C(=O)N(c3ccc(SC(F)(F)F)cc3)C(=O)C2(C)C)ccn1
InChIKey: JXIZWVBNXZXRKO-UHFFFAOYSA-N
Target: Insulin-like growth factor 1 receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08069
Assay: Inhibition of IGF-induced autophosphosphorylation of GST-tagged human IGF1R expressed in SF21 cells after 10 mins by time resolved-fluorescent assay
Measurement: IC50 = 98 nM (pChEMBL 7.010000228881836)
Descriptors: MW 452.46, ALogP 4.4, HBA 5, HBD 1, PSA 82.61, QED 0.54
Compound (SMILES): CC1(C)C(=O)N(c2ccc(SC(F)(F)F)cc2)C(=O)N1Cc1ccnc(N)c1
InChIKey: SPKNFLLCBPBCIV-UHFFFAOYSA-N
Target: Insulin-like growth factor 1 receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08069
Assay: Inhibition of IGF-induced autophosphosphorylation of GST-tagged human IGF1R expressed in SF21 cells after 10 mins by time resolved-fluorescent assay
Measurement: IC50 = 92 nM (pChEMBL 7.039999961853027)
Descriptors: MW 410.42, ALogP 4.02, HBA 5, HBD 1, PSA 79.53, QED 0.61
Compound (SMILES): CC1(C)C/C(=N\OC(C)(C)C)c2c(cc(F)c(-c3cccc4cc[nH]c34)c2F)N1
InChIKey: WAFODAVLOMGAPN-OGLMXYFKSA-N
Target: Glucocorticoid receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P04150
Assay: Displacement of radiolabeled Dexamethasone from glucocorticoid receptor expressed in baculovirus
Measurement: Ki = 7 nM (pChEMBL 8.149999618530273)
Descriptors: MW 397.47, ALogP 6.23, HBA 3, HBD 2, PSA 49.41, QED 0.5
Compound (SMILES): Cc1c[nH]c2c(-c3c(F)cc4c(c3F)/C(=N/OC(C)(C)C)CC(C)(C)N4)cccc12
InChIKey: GDJKXOLGMVNOGF-RDRPBHBLSA-N
Target: Mineralocorticoid receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08235
Assay: Binding affinity to mineralocorticoid receptor
Measurement: Ki = 1600 nM (pChEMBL 5.800000190734863)
Descriptors: MW 411.5, ALogP 6.53, HBA 3, HBD 2, PSA 49.41, QED 0.47
Compound (SMILES): CC1(C)C/C(=N\OC(C)(C)C)c2c(cc(F)c(-c3cccc4c(Cl)c[nH]c34)c2F)N1
InChIKey: RGMOSYPQLNCAFJ-STBIYBPSSA-N
Target: Mineralocorticoid receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08235
Assay: Binding affinity to mineralocorticoid receptor
Measurement: Ki = 1040 nM (pChEMBL 5.980000019073486)
Descriptors: MW 431.91, ALogP 6.88, HBA 3, HBD 2, PSA 49.41, QED 0.43
Compound (SMILES): Cc1c[nH]c2c(-c3c(F)cc4c(c3F)/C(=N/OC(C)C)CC(C)(C)N4)cccc12
InChIKey: NLDACKJWSTTYSC-MTDXEUNCSA-N
Target: Mineralocorticoid receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08235
Assay: Binding affinity to mineralocorticoid receptor
Measurement: Ki = 2800 nM (pChEMBL 5.550000190734863)
Descriptors: MW 397.47, ALogP 6.14, HBA 3, HBD 2, PSA 49.41, QED 0.52
Compound (SMILES): Cc1c[nH]c2c(-c3c(F)cc4c(c3F)/C(=N/OC(C)(C)CO)CC(C)(C)N4)cccc12
InChIKey: SGSLRJUNARVKFS-RDRPBHBLSA-N
Target: Mineralocorticoid receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08235
Assay: Binding affinity to mineralocorticoid receptor
Measurement: Ki = 2700 nM (pChEMBL 5.570000171661377)
Descriptors: MW 427.5, ALogP 5.51, HBA 4, HBD 3, PSA 69.64, QED 0.48
Compound (SMILES): CO/N=C1/c2c(cc(F)c(-c3cccc4c(C)c[nH]c34)c2F)NC(C)(C)C1O
InChIKey: IDOKWANEHDNOLY-XHPQRKPJSA-N
Target: Mineralocorticoid receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08235
Assay: Binding affinity to mineralocorticoid receptor
Measurement: Ki = 1700 nM (pChEMBL 5.769999980926514)
Descriptors: MW 385.41, ALogP 4.34, HBA 4, HBD 3, PSA 69.64, QED 0.58
Compound (SMILES): CCO/N=C1/c2c(cc(F)c(-c3cccc4c(C)c[nH]c34)c2F)NC(C)(C)C1O
InChIKey: NMIXBOUDRDWICA-OOAXWGSJSA-N
Target: Mineralocorticoid receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08235
Assay: Binding affinity to mineralocorticoid receptor
Measurement: Ki > 10000 nM (pChEMBL 5)
Descriptors: MW 399.44, ALogP 4.73, HBA 4, HBD 3, PSA 69.64, QED 0.56
Compound (SMILES): CO/N=C1/c2c(cc(F)c(-c3cccc4c(Cl)c[nH]c34)c2F)NC(C)(C)C1O
InChIKey: HIEURQCNSGIVBQ-ITYLOYPMSA-N
Target: Glucocorticoid receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P04150
Assay: Displacement of radiolabeled Dexamethasone from glucocorticoid receptor expressed in baculovirus
Measurement: Ki = 0.7 nM (pChEMBL 9.149999618530273)
Descriptors: MW 405.83, ALogP 4.68, HBA 4, HBD 3, PSA 69.64, QED 0.54
Compound (SMILES): O=C1C=CCO[C@@H]1n1cc(F)c(O)nc1=O
InChIKey: SEVHTONQYXGODI-QMMMGPOBSA-N
Target: Thymidylate synthase (SINGLE PROTEIN), Mus musculus
UniProt: P07607
Assay: Inhibition of thymidylate synthase in mouse L1210 cells assessed as inhibition of tritium release from [5-3H]deoxyuridine after preincubation for 24 hrs by liquid scintillation counting
Measurement: IC50 = 63 nM (pChEMBL 7.199999809265137)
Descriptors: MW 226.16, ALogP -0.26, HBA 6, HBD 1, PSA 81.42, QED 0.71
Compound (SMILES): C=C1C=CCO[C@@H]1n1cc(F)c(O)nc1=O
InChIKey: VZTRXSLJCSNNPV-VIFPVBQESA-N
Target: Thymidylate synthase (SINGLE PROTEIN), Mus musculus
UniProt: P07607
Assay: Inhibition of thymidylate synthase in mouse L1210 cells assessed as inhibition of tritium release from [5-3H]deoxyuridine after preincubation for 24 hrs by liquid scintillation counting
Measurement: IC50 = 430 nM (pChEMBL 6.369999885559082)
Descriptors: MW 224.19, ALogP 0.73, HBA 5, HBD 1, PSA 64.35, QED 0.76
Compound (SMILES): C=C1[C@H](O)[C@H](O)CO[C@@H]1n1cc(F)c(O)nc1=O
InChIKey: UXYOZHSRSIIWTB-FJXKBIBVSA-N
Target: Thymidylate synthase (SINGLE PROTEIN), Mus musculus
UniProt: P07607
Assay: Inhibition of thymidylate synthase in mouse L1210 cells assessed as inhibition of tritium release from [5-3H]deoxyuridine after preincubation for 24 hrs by liquid scintillation counting
Measurement: IC50 = 570 nM (pChEMBL 6.239999771118164)
Descriptors: MW 258.2, ALogP -1.11, HBA 7, HBD 3, PSA 104.81, QED 0.55
Compound (SMILES): CC(C)NC(=O)NS(=O)(=O)c1cnccc1N[C@@H]1C[C@H]2CC[C@@H]1C2
InChIKey: KUUDCXGUWLYZPK-OUCADQQQSA-N
Target: Bombesin receptor subtype-3 (SINGLE PROTEIN), Mus musculus
UniProt: O54798
Assay: Agonist activity at mouse BRS3 by functional assay
Measurement: EC50 = 86 nM (pChEMBL 7.070000171661377)
Descriptors: MW 352.46, ALogP 2.08, HBA 5, HBD 3, PSA 100.19, QED 0.75
Compound (SMILES): CC(C)NC(=O)NS(=O)(=O)c1cnccc1N[C@H]1C[C@H]2CC[C@@H]1C2
InChIKey: KUUDCXGUWLYZPK-SCRDCRAPSA-N
Target: Bombesin receptor subtype-3 (SINGLE PROTEIN), Mus musculus
UniProt: O54798
Assay: Agonist activity at mouse BRS3 by functional assay
Measurement: EC50 = 98 nM (pChEMBL 7.010000228881836)
Descriptors: MW 352.46, ALogP 2.08, HBA 5, HBD 3, PSA 100.19, QED 0.75
Compound (SMILES): CC(C)(C)NC(=O)NS(=O)(=O)c1cnccc1N[C@@H]1C[C@H]2CC[C@@H]1C2
InChIKey: SGJNLUHSLLRODE-OUCADQQQSA-N
Target: Bombesin receptor subtype-3 (SINGLE PROTEIN), Homo sapiens
UniProt: P32247
Assay: Agonist activity at human BRS3 by functional assay
Measurement: EC50 = 81 nM (pChEMBL 7.090000152587891)
Descriptors: MW 366.49, ALogP 2.47, HBA 5, HBD 3, PSA 100.19, QED 0.76
Compound (SMILES): CC(C)(C)NC(=O)NS(=O)(=O)c1cnccc1N[C@H]1C[C@H]2CC[C@@H]1C2
InChIKey: SGJNLUHSLLRODE-SCRDCRAPSA-N
Target: Bombesin receptor subtype-3 (SINGLE PROTEIN), Mus musculus
UniProt: O54798
Assay: Agonist activity at mouse BRS3 by functional assay
Measurement: EC50 = 49 nM (pChEMBL 7.309999942779541)
Descriptors: MW 366.49, ALogP 2.47, HBA 5, HBD 3, PSA 100.19, QED 0.76
Compound (SMILES): CC(C)(C)NC(=O)NS(=O)(=O)c1cnccc1N[C@H]1C[C@@H]2CC[C@H]1C2
InChIKey: SGJNLUHSLLRODE-DYEKYZERSA-N
Target: Bombesin receptor subtype-3 (SINGLE PROTEIN), Mus musculus
UniProt: O54798
Assay: Agonist activity at mouse BRS3 by functional assay
Measurement: EC50 = 110 nM (pChEMBL 6.960000038146973)
Descriptors: MW 366.49, ALogP 2.47, HBA 5, HBD 3, PSA 100.19, QED 0.76
Compound (SMILES): CCC(C)(C)NC(=O)NS(=O)(=O)c1cnccc1N[C@@H]1C[C@H]2CC[C@@H]1C2
InChIKey: GLDQUPKNVVPTGP-GZBFAFLISA-N
Target: Bombesin receptor subtype-3 (SINGLE PROTEIN), Mus musculus
UniProt: O54798
Assay: Agonist activity at mouse BRS3 by functional assay
Measurement: EC50 = 13 nM (pChEMBL 7.889999866485596)
Descriptors: MW 380.51, ALogP 2.86, HBA 5, HBD 3, PSA 100.19, QED 0.7
Compound (SMILES): CC(C)(C)CC(C)(C)NC(=O)NS(=O)(=O)c1cnccc1N[C@@H]1C[C@H]2CC[C@@H]1C2
InChIKey: QOXLHCAPRYUQAH-ZMSDIMECSA-N
Target: Bombesin receptor subtype-3 (SINGLE PROTEIN), Mus musculus
UniProt: O54798
Assay: Agonist activity at mouse BRS3 by functional assay
Measurement: EC50 = 100 nM (pChEMBL 7)
Descriptors: MW 422.6, ALogP 3.88, HBA 5, HBD 3, PSA 100.19, QED 0.65
Compound (SMILES): O=C(NC12CC3CC(CC(C3)C1)C2)NS(=O)(=O)c1cnccc1N[C@@H]1C[C@H]2CC[C@@H]1C2
InChIKey: JWRIWXMEJYFPGI-AVDPDVQASA-N
Target: Bombesin receptor subtype-3 (SINGLE PROTEIN), Mus musculus
UniProt: O54798
Assay: Agonist activity at mouse BRS3 by functional assay
Measurement: EC50 = 39 nM (pChEMBL 7.409999847412109)
Descriptors: MW 444.6, ALogP 3.64, HBA 5, HBD 3, PSA 100.19, QED 0.64
Compound (SMILES): CC(C)(C)NC(=O)NS(=O)(=O)c1cnccc1NC1CCCCC1
InChIKey: YBLZQYNHOUGJIW-UHFFFAOYSA-N
Target: Bombesin receptor subtype-3 (SINGLE PROTEIN), Mus musculus
UniProt: O54798
Assay: Agonist activity at mouse BRS3 by functional assay
Measurement: EC50 = 260 nM (pChEMBL 6.579999923706055)
Descriptors: MW 354.48, ALogP 2.61, HBA 5, HBD 3, PSA 100.19, QED 0.77
Compound (SMILES): CC(C)(C)NC(=O)NS(=O)(=O)c1cnccc1N[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C
InChIKey: SKRHDNAURICTLH-AUJRIZCKSA-N
Target: Bombesin receptor subtype-3 (SINGLE PROTEIN), Mus musculus
UniProt: O54798
Assay: Agonist activity at mouse BRS3 by functional assay
Measurement: EC50 = 90 nM (pChEMBL 7.050000190734863)
Descriptors: MW 408.57, ALogP 3.49, HBA 5, HBD 3, PSA 100.19, QED 0.71
Compound (SMILES): CC(C)(C)NC(=O)NS(=O)(=O)c1cnccc1N[C@H]1C[C@H]2CC[C@]1(C)C2(C)C
InChIKey: SKRHDNAURICTLH-PSGMQZRDSA-N
Target: Bombesin receptor subtype-3 (SINGLE PROTEIN), Mus musculus
UniProt: O54798
Assay: Agonist activity at mouse BRS3 by functional assay
Measurement: EC50 = 33 nM (pChEMBL 7.480000019073486)
Descriptors: MW 408.57, ALogP 3.49, HBA 5, HBD 3, PSA 100.19, QED 0.71
Compound (SMILES): CC(C)(C)NC(=O)NS(=O)(=O)c1cnccc1N[C@H]1CN2CCC1CC2
InChIKey: LSMLUMRJVVLATC-AWEZNQCLSA-N
Target: Bombesin receptor subtype-3 (SINGLE PROTEIN), Mus musculus
UniProt: O54798
Assay: Agonist activity at mouse BRS3 by functional assay
Measurement: EC50 > 10000 nM (pChEMBL 5)
Descriptors: MW 381.5, ALogP 1.37, HBA 6, HBD 3, PSA 103.43, QED 0.73
Compound (SMILES): CC(C)(C)NC(=O)NS(=O)(=O)c1cnccc1NCc1ccccc1
InChIKey: CCBRPMFCKGSWFQ-UHFFFAOYSA-N
Target: Bombesin receptor subtype-3 (SINGLE PROTEIN), Mus musculus
UniProt: O54798
Assay: Agonist activity at mouse BRS3 by functional assay
Measurement: EC50 = 6900 nM (pChEMBL 5.159999847412109)
Descriptors: MW 362.46, ALogP 2.48, HBA 5, HBD 3, PSA 100.19, QED 0.76
Compound (SMILES): CC(C)(C)NC(=O)NS(=O)(=O)c1cnccc1NC(C)(C)c1ccccc1
InChIKey: SVACBJJCDKJNBI-UHFFFAOYSA-N
Target: Bombesin receptor subtype-3 (SINGLE PROTEIN), Mus musculus
UniProt: O54798
Assay: Agonist activity at mouse BRS3 by functional assay
Measurement: EC50 = 4300 nM (pChEMBL 5.369999885559082)
Descriptors: MW 390.51, ALogP 3.22, HBA 5, HBD 3, PSA 100.19, QED 0.73
Compound (SMILES): CC(C)(C)NC(=O)NS(=O)(=O)c1cnccc1NC1CCc2ccccc21
InChIKey: GHEZILJZCGFHBE-UHFFFAOYSA-N
Target: Bombesin receptor subtype-3 (SINGLE PROTEIN), Mus musculus
UniProt: O54798
Assay: Agonist activity at mouse BRS3 by functional assay
Measurement: EC50 = 1300 nM (pChEMBL 5.889999866485596)
Descriptors: MW 388.49, ALogP 2.97, HBA 5, HBD 3, PSA 100.19, QED 0.75
Compound (SMILES): CC(C)(C)NC(=O)NS(=O)(=O)c1cnccc1NN1CCCC1
InChIKey: KBATXOWEPOXWPL-UHFFFAOYSA-N
Target: Bombesin receptor subtype-3 (SINGLE PROTEIN), Mus musculus
UniProt: O54798
Assay: Agonist activity at mouse BRS3 by functional assay
Measurement: EC50 > 10000 nM (pChEMBL 5)
Descriptors: MW 341.44, ALogP 1.29, HBA 6, HBD 3, PSA 103.43, QED 0.76
Compound (SMILES): CC(C)(C)NC(=O)NS(=O)(=O)c1cnccc1O[C@@H]1C[C@H]2CC[C@@H]1C2
InChIKey: TZLHDNGXJDMGEW-OUCADQQQSA-N
Target: Bombesin receptor subtype-3 (SINGLE PROTEIN), Mus musculus
UniProt: O54798
Assay: Agonist activity at mouse BRS3 by functional assay
Measurement: EC50 = 320 nM (pChEMBL 6.5)
Descriptors: MW 367.47, ALogP 2.44, HBA 5, HBD 2, PSA 97.39, QED 0.85
Compound (SMILES): CC(C)(C)NC(=O)NS(=O)(=O)c1cnccc1O[C@@H]1C[C@@H]2CC[C@H]1C2
InChIKey: TZLHDNGXJDMGEW-MBNYWOFBSA-N
Target: Bombesin receptor subtype-3 (SINGLE PROTEIN), Mus musculus
UniProt: O54798
Assay: Agonist activity at mouse BRS3 by functional assay
Measurement: EC50 = 320 nM (pChEMBL 6.5)
Descriptors: MW 367.47, ALogP 2.44, HBA 5, HBD 2, PSA 97.39, QED 0.85
Compound (SMILES): CC(C)(C)NC(=O)NS(=O)(=O)c1ccccc1N[C@@H]1C[C@H]2CC[C@@H]1C2
InChIKey: XCVYWQFNBIOPIX-GZBFAFLISA-N
Target: Bombesin receptor subtype-3 (SINGLE PROTEIN), Mus musculus
UniProt: O54798
Assay: Agonist activity at mouse BRS3 by functional assay
Measurement: EC50 = 340 nM (pChEMBL 6.46999979019165)
Descriptors: MW 365.5, ALogP 3.07, HBA 4, HBD 3, PSA 87.3, QED 0.77
Compound (SMILES): CC(C)(C)CC(=O)NS(=O)(=O)c1cnccc1N[C@@H]1C[C@H]2CC[C@@H]1C2
InChIKey: PNKQHCZNJVAYFX-GZBFAFLISA-N
Target: Bombesin receptor subtype-3 (SINGLE PROTEIN), Mus musculus
UniProt: O54798
Assay: Agonist activity at mouse BRS3 by functional assay
Measurement: EC50 = 4900 nM (pChEMBL 5.309999942779541)
Descriptors: MW 365.5, ALogP 2.92, HBA 5, HBD 2, PSA 88.16, QED 0.84
Compound (SMILES): CC(C)(C)OC(=O)NS(=O)(=O)c1cnccc1N[C@@H]1C[C@H]2CC[C@@H]1C2
InChIKey: JUQIWAFSXRWLSO-OUCADQQQSA-N
Target: Bombesin receptor subtype-3 (SINGLE PROTEIN), Mus musculus
UniProt: O54798
Assay: Agonist activity at mouse BRS3 by functional assay
Measurement: EC50 = 590 nM (pChEMBL 6.230000019073486)
Descriptors: MW 367.47, ALogP 2.9, HBA 6, HBD 2, PSA 97.39, QED 0.85
Compound (SMILES): CN(C(=O)NS(=O)(=O)c1cnccc1N[C@@H]1C[C@H]2CC[C@@H]1C2)C(C)(C)C
InChIKey: WFIFDHFKQCORMM-GZBFAFLISA-N
Target: Bombesin receptor subtype-3 (SINGLE PROTEIN), Mus musculus
UniProt: O54798
Assay: Agonist activity at mouse BRS3 by functional assay
Measurement: EC50 = 180 nM (pChEMBL 6.75)
Descriptors: MW 380.51, ALogP 2.81, HBA 5, HBD 2, PSA 91.4, QED 0.84
Compound (SMILES): CC(C)(C)NC(=N)NS(=O)(=O)c1cnccc1N[C@@H]1C[C@H]2CC[C@@H]1C2
InChIKey: WPHJCHOAAXVXAQ-OUCADQQQSA-N
Target: Bombesin receptor subtype-3 (SINGLE PROTEIN), Mus musculus
UniProt: O54798
Assay: Agonist activity at mouse BRS3 by functional assay
Measurement: EC50 = 7000 nM (pChEMBL 5.159999847412109)
Descriptors: MW 365.5, ALogP 2.28, HBA 5, HBD 4, PSA 106.97, QED 0.48
Compound (SMILES): CN(C(=O)NC(C)(C)C)S(=O)(=O)c1cnccc1N[C@@H]1C[C@H]2CC[C@@H]1C2
InChIKey: DTNIFHDQESVTDC-GZBFAFLISA-N
Target: Bombesin receptor subtype-3 (SINGLE PROTEIN), Mus musculus
UniProt: O54798
Assay: Agonist activity at mouse BRS3 by functional assay
Measurement: EC50 = 6500 nM (pChEMBL 5.190000057220459)
Descriptors: MW 380.51, ALogP 2.81, HBA 5, HBD 2, PSA 91.4, QED 0.84
Compound (SMILES): CC(C)(C)c1cccc(NS(=O)(=O)c2cnccc2N[C@@H]2C[C@H]3CC[C@@H]2C3)c1
InChIKey: PMMPJWFJIJZLTB-RZQQEMMASA-N
Target: Bombesin receptor subtype-3 (SINGLE PROTEIN), Mus musculus
UniProt: O54798
Assay: Agonist activity at mouse BRS3 by functional assay
Measurement: EC50 = 160 nM (pChEMBL 6.800000190734863)
Descriptors: MW 399.56, ALogP 4.78, HBA 4, HBD 2, PSA 71.09, QED 0.76