lovingscience/chembl-v37-raw-activities huggingface dataset:
Compound (SMILES): C#CCn1c(=O)c2c(nc3n2CCCN3CCc2ccccc2)n(C)c1=O
InChIKey: JPWWLARJGBYSLT-UHFFFAOYSA-N
Target: Adenosine receptor A3 (SINGLE PROTEIN), Homo sapiens
UniProt: P0DMS8
Assay: Displacement of [3H]PSB-11 from human adenosine A3 receptor expressed in CHO cells
Measurement: Ki > 1000 nM (pChEMBL 6)
Descriptors: MW 363.42, ALogP 0.98, HBA 7, HBD 0, PSA 65.06, QED 0.65
Compound (SMILES): C#CCn1c(=O)c2c(nc3n2CCCN3CCc2ccc(O)cc2)n(C)c1=O
InChIKey: WXFOODWTBXEZGF-UHFFFAOYSA-N
Target: Adenosine receptor A3 (SINGLE PROTEIN), Homo sapiens
UniProt: P0DMS8
Assay: Displacement of [3H]PSB-11 from human adenosine A3 receptor expressed in CHO cells
Measurement: Ki > 10000 nM (pChEMBL 5)
Descriptors: MW 379.42, ALogP 0.69, HBA 8, HBD 1, PSA 85.29, QED 0.67
Compound (SMILES): C#CCn1c(=O)c2c(nc3n2CCCN3CCc2ccc(OC)cc2)n(C)c1=O
InChIKey: POSAETBGNVHIOB-UHFFFAOYSA-N
Target: Adenosine receptor A3 (SINGLE PROTEIN), Homo sapiens
UniProt: P0DMS8
Assay: Displacement of [3H]PSB-11 from human adenosine A3 receptor expressed in CHO cells
Measurement: Ki > 1000 nM (pChEMBL 6)
Descriptors: MW 393.45, ALogP 0.99, HBA 8, HBD 0, PSA 74.29, QED 0.6
Compound (SMILES): C#CCn1c(=O)c2c(nc3n2CCCN3CCc2cc(OC)c(OC)c(OC)c2)n(C)c1=O
InChIKey: MBNOCJYUIBWAQP-UHFFFAOYSA-N
Target: Adenosine receptor A3 (SINGLE PROTEIN), Homo sapiens
UniProt: P0DMS8
Assay: Displacement of [3H]PSB-11 from human adenosine A3 receptor expressed in CHO cells
Measurement: Ki > 1000 nM (pChEMBL 6)
Descriptors: MW 453.5, ALogP 1.01, HBA 10, HBD 0, PSA 92.75, QED 0.49
Compound (SMILES): C#CCn1c(=O)c2c(nc3n2CCCN3CCc2cccs2)n(C)c1=O
InChIKey: ITEITABOOPXFSB-UHFFFAOYSA-N
Target: Adenosine receptor A3 (SINGLE PROTEIN), Homo sapiens
UniProt: P0DMS8
Assay: Displacement of [3H]PSB-11 from human adenosine A3 receptor expressed in CHO cells
Measurement: Ki > 1000 nM (pChEMBL 6)
Descriptors: MW 369.45, ALogP 1.04, HBA 8, HBD 0, PSA 65.06, QED 0.64
Compound (SMILES): C#CCn1c(=O)c2c(nc3n2CCCN3C2CCC2)n(C)c1=O
InChIKey: VIELPDBTJAVHAX-UHFFFAOYSA-N
Target: Adenosine receptor A3 (SINGLE PROTEIN), Homo sapiens
UniProt: P0DMS8
Assay: Displacement of [3H]PSB-11 from human adenosine A3 receptor expressed in CHO cells
Measurement: Ki > 10000 nM (pChEMBL 5)
Descriptors: MW 313.36, ALogP 0.29, HBA 7, HBD 0, PSA 65.06, QED 0.75
Compound (SMILES): C#CCn1c(=O)c2c(nc3n2CCCN3C2CCCCC2)n(C)c1=O
InChIKey: LSVIGDGSTBSSRY-UHFFFAOYSA-N
Target: Adenosine receptor A3 (SINGLE PROTEIN), Homo sapiens
UniProt: P0DMS8
Assay: Displacement of [3H]PSB-11 from human adenosine A3 receptor expressed in CHO cells
Measurement: Ki > 10000 nM (pChEMBL 5)
Descriptors: MW 341.42, ALogP 1.07, HBA 7, HBD 0, PSA 65.06, QED 0.77
Compound (SMILES): C#CCn1c(=O)c2c(nc3n2CCCN3CC2CCCO2)n(C)c1=O
InChIKey: WQKHTVIZZFNQSY-UHFFFAOYSA-N
Target: Adenosine receptor A3 (SINGLE PROTEIN), Homo sapiens
UniProt: P0DMS8
Assay: Displacement of [3H]PSB-11 from human adenosine A3 receptor expressed in CHO cells
Measurement: Ki > 10000 nM (pChEMBL 5)
Descriptors: MW 343.39, ALogP -0.08, HBA 8, HBD 0, PSA 74.29, QED 0.73
Compound (SMILES): C#CCn1c(=O)c2c(nc3n2CCCN3CC2CCCCC2)n(C)c1=O
InChIKey: JGAXLZVTNMDVRB-UHFFFAOYSA-N
Target: Adenosine receptor A3 (SINGLE PROTEIN), Homo sapiens
UniProt: P0DMS8
Assay: Displacement of [3H]PSB-11 from human adenosine A3 receptor expressed in CHO cells
Measurement: Ki > 100 nM (pChEMBL 7)
Descriptors: MW 355.44, ALogP 1.32, HBA 7, HBD 0, PSA 65.06, QED 0.78
Compound (SMILES): C#CCn1c(=O)c2c(nc3n2CCCN3C2CCN(Cc3ccccc3)CC2)n(C)c1=O
InChIKey: ZGNSJTKYFPAARE-UHFFFAOYSA-N
Target: Adenosine receptor A3 (SINGLE PROTEIN), Homo sapiens
UniProt: P0DMS8
Assay: Displacement of [3H]PSB-11 from human adenosine A3 receptor expressed in CHO cells
Measurement: Ki > 1000 nM (pChEMBL 6)
Descriptors: MW 432.53, ALogP 1.4, HBA 8, HBD 0, PSA 68.3, QED 0.58
Compound (SMILES): CCn1c(=O)c2c(nc3n2CCCN3c2ccc(F)cc2)n(CC)c1=O
InChIKey: ODHTZSWVQCWNPJ-UHFFFAOYSA-N
Target: Adenosine receptor A3 (SINGLE PROTEIN), Homo sapiens
UniProt: P0DMS8
Assay: Displacement of [3H]PSB-11 from human adenosine A3 receptor expressed in CHO cells
Measurement: Ki > 10000 nM (pChEMBL 5)
Descriptors: MW 357.39, ALogP 2.08, HBA 7, HBD 0, PSA 65.06, QED 0.72
Compound (SMILES): CCn1c(=O)c2c(nc3n2CCCN3c2ccc(O)cc2)n(CC)c1=O
InChIKey: QXTXSAISAPWLPF-UHFFFAOYSA-N
Target: Amine oxidase [flavin-containing] A (SINGLE PROTEIN), Homo sapiens
UniProt: P21397
Assay: Inhibition of human MAO-A
Measurement: IC50 > 10000 nM (pChEMBL 5)
Descriptors: MW 355.4, ALogP 1.65, HBA 8, HBD 1, PSA 85.29, QED 0.77
Compound (SMILES): Cn1c(=O)c2[nH]c([C@]34C[C@@H]5C[C@H](C[C@H]3C5)C4)nc2n(C)c1=O
InChIKey: JNILKZBFDIKTIT-IOOBAMJDSA-N
Target: Adenosine receptor A2a (SINGLE PROTEIN), Rattus norvegicus
UniProt: P30543
Assay: Binding affinity to rat adenosine A2A receptor
Measurement: Ki = 552 nM (pChEMBL 6.260000228881836)
Descriptors: MW 300.36, ALogP 1.04, HBA 5, HBD 1, PSA 72.68, QED 0.85
Compound (SMILES): Cn1c(=O)c2c(nc3n2CCCN3c2ccc(F)cc2)n(C)c1=O
InChIKey: XXGJQSLIDOPLEK-UHFFFAOYSA-N
Target: Adenosine receptor A2b (SINGLE PROTEIN), Homo sapiens
UniProt: P29275
Assay: Displacement of [3H]PSB-603 from human adenosine A2B receptor
Measurement: Ki = 10000 nM (pChEMBL 5)
Descriptors: MW 329.33, ALogP 1.11, HBA 7, HBD 0, PSA 65.06, QED 0.67
Compound (SMILES): C#CCn1c(=O)c2c(nc3n2CCCN3c2ccc(F)cc2)n(C)c1=O
InChIKey: DIUGFASVSFQUSJ-UHFFFAOYSA-N
Target: Adenosine receptor A3 (SINGLE PROTEIN), Homo sapiens
UniProt: P0DMS8
Assay: Displacement of [3H]PSB-11 from human adenosine A3 receptor expressed in CHO cells
Measurement: Ki > 10000 nM (pChEMBL 5)
Descriptors: MW 353.36, ALogP 1.21, HBA 7, HBD 0, PSA 65.06, QED 0.65
Compound (SMILES): C#CCn1c(=O)c2c(nc3n2CCCN3c2cccc(OC)c2)n(C)c1=O
InChIKey: LLHBPYMLCGCMOU-UHFFFAOYSA-N
Target: Adenosine receptor A3 (SINGLE PROTEIN), Homo sapiens
UniProt: P0DMS8
Assay: Displacement of [3H]PSB-11 from human adenosine A3 receptor expressed in CHO cells
Measurement: Ki > 1000 nM (pChEMBL 6)
Descriptors: MW 365.39, ALogP 1.08, HBA 8, HBD 0, PSA 74.29, QED 0.65
Compound (SMILES): C#CCn1c(=O)c2c(nc3n2CCCN3c2cccc(Br)c2)n(C)c1=O
InChIKey: QCNBBPGRAQMBJB-UHFFFAOYSA-N
Target: Adenosine receptor A3 (SINGLE PROTEIN), Homo sapiens
UniProt: P0DMS8
Assay: Displacement of [3H]PSB-11 from human adenosine A3 receptor expressed in CHO cells
Measurement: Ki > 10000 nM (pChEMBL 5)
Descriptors: MW 414.26, ALogP 1.83, HBA 7, HBD 0, PSA 65.06, QED 0.6
Compound (SMILES): C#CCn1c(=O)c2c(nc3n2CCCN3c2cc(OC)cc(OC)c2)n(C)c1=O
InChIKey: HDWCQZONLVDJQX-UHFFFAOYSA-N
Target: Adenosine receptor A3 (SINGLE PROTEIN), Homo sapiens
UniProt: P0DMS8
Assay: Displacement of [3H]PSB-11 from human adenosine A3 receptor expressed in CHO cells
Measurement: Ki > 1000 nM (pChEMBL 6)
Descriptors: MW 395.42, ALogP 1.09, HBA 9, HBD 0, PSA 83.52, QED 0.62
Compound (SMILES): C#CCn1c(=O)c2c(nc3n2CCCN3c2ccc(C(C)C)cc2)n(C)c1=O
InChIKey: JEAZQBXVMIQRBV-UHFFFAOYSA-N
Target: Amine oxidase [flavin-containing] A (SINGLE PROTEIN), Homo sapiens
UniProt: P21397
Assay: Inhibition of human MAO-A
Measurement: IC50 > 10000 nM (pChEMBL 5)
Descriptors: MW 377.45, ALogP 2.2, HBA 7, HBD 0, PSA 65.06, QED 0.66
Compound (SMILES): CCCCOc1c(OC)ccc2cc(C(=O)NCc3ccc([18F])cc3)c(=O)[nH]c12
InChIKey: JQYZYQKWXGNSIW-VNRZBHCFSA-N
Target: Cannabinoid receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P21554
Assay: Binding affinity to human cannabinoid CB1 receptor
Measurement: Ki > 10000 nM (pChEMBL 5)
Descriptors: MW 398.43, ALogP 3.78, HBA 4, HBD 2, PSA 80.42, QED 0.57
Compound (SMILES): COc1ccc(S(=O)(=O)c2ccc([C@H](C)NS(C)(=O)=O)cc2)c(S(=O)(=O)c2ccc(O[11CH3])cc2)c1
InChIKey: NXODIUKWAVUFGF-YHKMRCRZSA-N
Target: Cannabinoid receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P21554
Assay: Binding affinity to human cannabinoid CB1 receptor
Measurement: Ki = 79 nM (pChEMBL 7.099999904632568)
Descriptors: MW 539.65, ALogP 2.98, HBA 8, HBD 1, PSA 132.91, QED 0.44
Compound (SMILES): O=C(CCc1nc(-c2ccc(F)cc2Br)no1)Nc1ccc2c(c1)c1ccccc1n2CCCO
InChIKey: GUAJCLOVZCTWOJ-UHFFFAOYSA-N
Target: Cannabinoid receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P34972
Assay: Displacement of [3H]CP-55,940 from human recombinant cannabinoid CB2 receptor expressed in CHO cells
Measurement: Ki = 33 nM (pChEMBL 7.480000019073486)
Descriptors: MW 537.39, ALogP 5.7, HBA 6, HBD 2, PSA 93.18, QED 0.27
Compound (SMILES): O=C(CCc1nc(-c2ccc(F)cc2Br)no1)Nc1ccc2c(c1)c1ccccc1n2CCCCO
InChIKey: JWFYXZLYYOPUMO-UHFFFAOYSA-N
Target: Cannabinoid receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P34972
Assay: Displacement of [3H]CP-55,940 from human recombinant cannabinoid CB2 receptor expressed in CHO cells
Measurement: Ki = 96 nM (pChEMBL 7.019999980926514)
Descriptors: MW 551.42, ALogP 6.09, HBA 6, HBD 2, PSA 93.18, QED 0.22
Compound (SMILES): O=C(CCc1nc(-c2ccc(F)cc2Br)no1)Nc1ccc2c(c1)c1ccccc1n2CCF
InChIKey: LNYHVDOVNSAWJJ-UHFFFAOYSA-N
Target: Cannabinoid receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P34972
Assay: Displacement of [3H]CP-55,940 from human recombinant cannabinoid CB2 receptor expressed in CHO cells
Measurement: Ki = 5.8 nM (pChEMBL 8.239999771118164)
Descriptors: MW 525.35, ALogP 6.29, HBA 5, HBD 1, PSA 72.95, QED 0.27
Compound (SMILES): O=C(CCc1nc(-c2ccc(F)cc2)no1)Nc1ccc2c(c1)c1ccccc1n2CCF
InChIKey: JOOWQDRRSLVPOP-UHFFFAOYSA-N
Target: Cannabinoid receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P34972
Assay: Displacement of [3H]CP-55,940 from human recombinant cannabinoid CB2 receptor expressed in CHO cells
Measurement: Ki = 41 nM (pChEMBL 7.389999866485596)
Descriptors: MW 446.46, ALogP 5.52, HBA 5, HBD 1, PSA 72.95, QED 0.36
Compound (SMILES): N#Cc1cc(F)ccc1-c1noc(CCC(=O)Nc2ccc3c(c2)c2ccccc2n3CCF)n1
InChIKey: NXZXPZLVPNFNQN-UHFFFAOYSA-N
Target: Cannabinoid receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P34972
Assay: Displacement of [3H]CP-55,940 from human recombinant cannabinoid CB2 receptor expressed in CHO cells
Measurement: Ki = 858 nM (pChEMBL 6.070000171661377)
Descriptors: MW 471.47, ALogP 5.4, HBA 6, HBD 1, PSA 96.74, QED 0.34
Compound (SMILES): CCCCO[C@H]1CCN(c2ccc(C(F)(F)F)cc2C(=O)O)C1
InChIKey: ZJERTTHVMYYXMT-LBPRGKRZSA-N
Target: Lipoprotein lipase (SINGLE PROTEIN), Homo sapiens
UniProt: P06858
Assay: Inhibition of recombinant human lipoprotein lipase using bis-BODIPY-FL C11-PC as substrate preincubated for 30 mins followed by substrate addition by FELA method
Measurement: IC50 > 100000 nM (pChEMBL 4)
Descriptors: MW 331.33, ALogP 3.8, HBA 3, HBD 1, PSA 49.77, QED 0.81
Compound (SMILES): O=C(O)c1cc(C(F)(F)F)ccc1N1CC[C@H](OCc2ccccn2)C1
InChIKey: NBGRERFNOKZQLO-AWEZNQCLSA-N
Target: Endothelial lipase (SINGLE PROTEIN), Homo sapiens
UniProt: Q9Y5X9
Assay: Inhibition of human endothelial lipase using HDL as substrate assessed as release of free fatty acids preincubated for 30 mins followed by substrate addition measured after 2 hrs
Measurement: IC50 = 110 nM (pChEMBL 6.960000038146973)
Descriptors: MW 366.34, ALogP 3.59, HBA 4, HBD 1, PSA 62.66, QED 0.88
Compound (SMILES): O=C(O)c1cc(C(F)(F)F)ccc1N1CC[C@H](OCc2ccc(F)cn2)C1
InChIKey: JQJOSZDFOQAZBZ-AWEZNQCLSA-N
Target: Hepatic triacylglycerol lipase (SINGLE PROTEIN), Homo sapiens
UniProt: P11150
Assay: Inhibition of recombinant human hepatic lipase using bis-BODIPY-FL C11-PC as substrate preincubated for 30 mins followed by substrate addition by FELA method
Measurement: IC50 = 16920 nM (pChEMBL 4.769999980926514)
Descriptors: MW 384.33, ALogP 3.73, HBA 4, HBD 1, PSA 62.66, QED 0.8
Compound (SMILES): O=C(O)c1cc(C(F)(F)F)ccc1N1CC[C@H](OCc2ncccc2F)C1
InChIKey: CSXBQYDHJOFYLI-LBPRGKRZSA-N
Target: Hepatic triacylglycerol lipase (SINGLE PROTEIN), Homo sapiens
UniProt: P11150
Assay: Inhibition of recombinant human hepatic lipase using bis-BODIPY-FL C11-PC as substrate preincubated for 30 mins followed by substrate addition by FELA method
Measurement: IC50 = 19500 nM (pChEMBL 4.710000038146973)
Descriptors: MW 384.33, ALogP 3.73, HBA 4, HBD 1, PSA 62.66, QED 0.8
Compound (SMILES): O=C(O)c1cc(C(F)(F)F)ccc1N1CC[C@H](OCc2cncc(F)c2)C1
InChIKey: JZCMITUYTDQFCX-AWEZNQCLSA-N
Target: Hepatic triacylglycerol lipase (SINGLE PROTEIN), Homo sapiens
UniProt: P11150
Assay: Inhibition of recombinant human hepatic lipase using bis-BODIPY-FL C11-PC as substrate preincubated for 30 mins followed by substrate addition by FELA method
Measurement: IC50 = 23300 nM (pChEMBL 4.630000114440918)
Descriptors: MW 384.33, ALogP 3.73, HBA 4, HBD 1, PSA 62.66, QED 0.8
Compound (SMILES): O=C(O)c1cc(C(F)(F)F)ccc1N1CC[C@H](OCCOCc2ccccc2)C1
InChIKey: AAPFSKSRMZARSC-KRWDZBQOSA-N
Target: Endothelial lipase (SINGLE PROTEIN), Homo sapiens
UniProt: Q9Y5X9
Assay: Inhibition of recombinant human endothelial lipase using bis-BODIPY-FL C11-PC as substrate preincubated for 30 mins followed by substrate addition by FELA method
Measurement: IC50 = 88 nM (pChEMBL 7.059999942779541)
Descriptors: MW 409.4, ALogP 4.22, HBA 4, HBD 1, PSA 59, QED 0.66
Compound (SMILES): CCOCCO[C@H]1CCN(c2ccc(C(F)(F)F)cc2C(=O)O)C1
InChIKey: DXHFGNCUBPELBX-LBPRGKRZSA-N
Target: Endothelial lipase (SINGLE PROTEIN), Homo sapiens
UniProt: Q9Y5X9
Assay: Inhibition of recombinant human endothelial lipase using bis-BODIPY-FL C11-PC as substrate preincubated for 30 mins followed by substrate addition by FELA method
Measurement: IC50 = 499 nM (pChEMBL 6.300000190734863)
Descriptors: MW 347.33, ALogP 3.04, HBA 4, HBD 1, PSA 59, QED 0.77
Compound (SMILES): COCCOCCO[C@H]1CCN(c2ccc(C(F)(F)F)cc2C(=O)O)C1
InChIKey: UOYAVLSPLZCKSU-ZDUSSCGKSA-N
Target: Lipoprotein lipase (SINGLE PROTEIN), Homo sapiens
UniProt: P06858
Assay: Inhibition of recombinant human lipoprotein lipase using bis-BODIPY-FL C11-PC as substrate preincubated for 30 mins followed by substrate addition by FELA method
Measurement: IC50 > 100000 nM (pChEMBL 4)
Descriptors: MW 377.36, ALogP 2.66, HBA 5, HBD 1, PSA 68.23, QED 0.67
Compound (SMILES): O=C(O)c1cc(C(F)(F)F)ccc1NCC1CC1
InChIKey: GGTFFEIEMYKYNU-UHFFFAOYSA-N
Target: Lipoprotein lipase (SINGLE PROTEIN), Homo sapiens
UniProt: P06858
Assay: Inhibition of recombinant human lipoprotein lipase using bis-BODIPY-FL C11-PC as substrate preincubated for 30 mins followed by substrate addition by FELA method
Measurement: IC50 > 10000 nM (pChEMBL 5)
Descriptors: MW 259.23, ALogP 3.23, HBA 2, HBD 2, PSA 49.33, QED 0.87
Compound (SMILES): CC(Cc1c[nH]c2ccccc12)NS(=O)(=O)c1c(N)cc(Cl)cc1Cl
InChIKey: MKBMFZOEUDKVGZ-UHFFFAOYSA-N
Target: Mineralocorticoid receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08235
Assay: Binding affinity to mineralocorticoid receptor (unknown origin) by fluorescence polarization competitive binding assay
Measurement: IC50 = 510 nM (pChEMBL 6.289999961853027)
Descriptors: MW 398.32, ALogP 3.97, HBA 3, HBD 3, PSA 87.98, QED 0.57
Compound (SMILES): Nc1cc(Cl)cc(Cl)c1S(=O)(=O)NC(Cc1c[nH]c2ccccc12)C(F)(F)F
InChIKey: DCRMRSLJFCGKKG-UHFFFAOYSA-N
Target: Mineralocorticoid receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08235
Assay: Binding affinity to mineralocorticoid receptor (unknown origin) by fluorescence polarization competitive binding assay
Measurement: IC50 = 270 nM (pChEMBL 6.570000171661377)
Descriptors: MW 452.29, ALogP 4.51, HBA 3, HBD 3, PSA 87.98, QED 0.5
Compound (SMILES): O=S(=O)(NC(Cc1c[nH]c2ccccc12)C(F)(F)F)c1c(Cl)cc(Cl)cc1Cl
InChIKey: XYFAXIKXGILQET-UHFFFAOYSA-N
Target: Progesterone receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P06401
Assay: Displacement of TAMRA-labeled mifepristone from progesterone receptor (unknown origin) by fluorescence polarization competitive binding assay
Measurement: IC50 = 3500 nM (pChEMBL 5.460000038146973)
Descriptors: MW 471.71, ALogP 5.58, HBA 2, HBD 2, PSA 61.96, QED 0.51
Compound (SMILES): Cc1cc(C)c(S(=O)(=O)NC(Cc2c[nH]c3ccccc23)C(F)(F)F)c(C)c1
InChIKey: RBUVZQPMAIWWCG-UHFFFAOYSA-N
Target: Progesterone receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P06401
Assay: Displacement of TAMRA-labeled mifepristone from progesterone receptor (unknown origin) by fluorescence polarization competitive binding assay
Measurement: IC50 = 3600 nM (pChEMBL 5.440000057220459)
Descriptors: MW 410.46, ALogP 4.55, HBA 2, HBD 2, PSA 61.96, QED 0.65
Compound (SMILES): CC(C)(Cc1c[nH]c2ccccc12)NS(=O)(=O)c1c(N)cc(Cl)cc1Cl
InChIKey: FGWOYLFOCSKTSC-UHFFFAOYSA-N
Target: Progesterone receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P06401
Assay: Displacement of TAMRA-labeled mifepristone from progesterone receptor (unknown origin) by fluorescence polarization competitive binding assay
Measurement: IC50 = 5300 nM (pChEMBL 5.28000020980835)
Descriptors: MW 412.34, ALogP 4.36, HBA 3, HBD 3, PSA 87.98, QED 0.54
Compound (SMILES): Cc1cc(C)c(S(=O)(=O)NC(Cc2c[nH]c3cccc(C)c23)C(F)(F)F)c(C)c1
InChIKey: OWWJZAKLVDXCMD-UHFFFAOYSA-N
Target: Progesterone receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P06401
Assay: Displacement of TAMRA-labeled mifepristone from progesterone receptor (unknown origin) by fluorescence polarization competitive binding assay
Measurement: IC50 > 2000 nM (pChEMBL 5.698999881744385)
Descriptors: MW 424.49, ALogP 4.85, HBA 2, HBD 2, PSA 61.96, QED 0.61
Compound (SMILES): Cc1cc(C)c(S(=O)(=O)NC(Cc2c[nH]c3ccc(C)cc23)C(F)(F)F)c(C)c1
InChIKey: UDQPQRQPOLSCKG-UHFFFAOYSA-N
Target: Glucocorticoid receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P04150
Assay: Agonist activity at glucocorticoid receptor in HFF assessed as inhibition of IL-1-induced IL-6 production after 24 hrs
Measurement: IC50 = 210 nM (pChEMBL 6.679999828338623)
Descriptors: MW 424.49, ALogP 4.85, HBA 2, HBD 2, PSA 61.96, QED 0.61
Compound (SMILES): Cc1cc(C)c(S(=O)(=O)NC(Cc2c[nH]c3cc(C)ccc23)C(F)(F)F)c(C)c1
InChIKey: CVFDJBVNXZCLBL-UHFFFAOYSA-N
Target: Progesterone receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P06401
Assay: Displacement of TAMRA-labeled mifepristone from progesterone receptor (unknown origin) by fluorescence polarization competitive binding assay
Measurement: IC50 > 2000 nM (pChEMBL 5.698999881744385)
Descriptors: MW 424.49, ALogP 4.85, HBA 2, HBD 2, PSA 61.96, QED 0.61
Compound (SMILES): Cc1cc(C)c(S(=O)(=O)NC(Cc2c[nH]c3c(C)cccc23)C(F)(F)F)c(C)c1
InChIKey: HMYGXGUMESBWOB-UHFFFAOYSA-N
Target: Progesterone receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P06401
Assay: Displacement of TAMRA-labeled mifepristone from progesterone receptor (unknown origin) by fluorescence polarization competitive binding assay
Measurement: IC50 = 5900 nM (pChEMBL 5.230000019073486)
Descriptors: MW 424.49, ALogP 4.85, HBA 2, HBD 2, PSA 61.96, QED 0.61
Compound (SMILES): Cc1cc(C)c(S(=O)(=O)NC(Cc2c[nH]c3cccc(C#N)c23)C(F)(F)F)c(C)c1
InChIKey: BSXOBLQQSALHLR-UHFFFAOYSA-N
Target: Progesterone receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P06401
Assay: Displacement of TAMRA-labeled mifepristone from progesterone receptor (unknown origin) by fluorescence polarization competitive binding assay
Measurement: IC50 > 10000 nM (pChEMBL 5)
Descriptors: MW 435.47, ALogP 4.42, HBA 3, HBD 2, PSA 85.75, QED 0.62
Compound (SMILES): Cc1cc(C)c(S(=O)(=O)NC(Cc2c[nH]c3ccc(C#N)cc23)C(F)(F)F)c(C)c1
InChIKey: JKBQDIAWGDKQHW-UHFFFAOYSA-N
Target: Progesterone receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P06401
Assay: Displacement of TAMRA-labeled mifepristone from progesterone receptor (unknown origin) by fluorescence polarization competitive binding assay
Measurement: IC50 > 10000 nM (pChEMBL 5)
Descriptors: MW 435.47, ALogP 4.42, HBA 3, HBD 2, PSA 85.75, QED 0.62
Compound (SMILES): Cc1cc(C)c(S(=O)(=O)NC(Cc2c[nH]c3cc(C#N)ccc23)C(F)(F)F)c(C)c1
InChIKey: FDMHMFIRHWCKNN-UHFFFAOYSA-N
Target: Progesterone receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P06401
Assay: Displacement of TAMRA-labeled mifepristone from progesterone receptor (unknown origin) by fluorescence polarization competitive binding assay
Measurement: IC50 = 2000 nM (pChEMBL 5.699999809265137)
Descriptors: MW 435.47, ALogP 4.42, HBA 3, HBD 2, PSA 85.75, QED 0.62
Compound (SMILES): Cc1cc(C)c(S(=O)(=O)NC(Cc2c[nH]c3c(C#N)cccc23)C(F)(F)F)c(C)c1
InChIKey: NHIKVVXPLBWTNX-UHFFFAOYSA-N
Target: Mineralocorticoid receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08235
Assay: Binding affinity to mineralocorticoid receptor (unknown origin) by fluorescence polarization competitive binding assay
Measurement: IC50 = 70 nM (pChEMBL 7.159999847412109)
Descriptors: MW 435.47, ALogP 4.42, HBA 3, HBD 2, PSA 85.75, QED 0.62
Compound (SMILES): Cc1cc(C)c(S(=O)(=O)NC(Cc2c[nH]c3c(C#N)cc(C)cc23)C(F)(F)F)c(C)c1
InChIKey: CEOIQIXVRWVLBN-UHFFFAOYSA-N
Target: Mineralocorticoid receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08235
Assay: Binding affinity to mineralocorticoid receptor (unknown origin) by fluorescence polarization competitive binding assay
Measurement: IC50 = 110 nM (pChEMBL 6.960000038146973)
Descriptors: MW 449.5, ALogP 4.73, HBA 3, HBD 2, PSA 85.75, QED 0.59
Compound (SMILES): Cc1cc(C)c(S(=O)(=O)NC(Cn2ccc3ccccc32)C(F)(F)F)c(C)c1
InChIKey: NXRVYSZNJVQSEI-UHFFFAOYSA-N
Target: Progesterone receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P06401
Assay: Displacement of TAMRA-labeled mifepristone from progesterone receptor (unknown origin) by fluorescence polarization competitive binding assay
Measurement: IC50 = 2400 nM (pChEMBL 5.619999885559082)
Descriptors: MW 410.46, ALogP 4.48, HBA 3, HBD 1, PSA 51.1, QED 0.67
Compound (SMILES): Cc1cc(C)c(S(=O)(=O)NC(Cn2ccc3ncccc32)C(F)(F)F)c(C)c1
InChIKey: DGELEWLFMTZTAW-UHFFFAOYSA-N
Target: Progesterone receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P06401
Assay: Displacement of TAMRA-labeled mifepristone from progesterone receptor (unknown origin) by fluorescence polarization competitive binding assay
Measurement: IC50 > 10000 nM (pChEMBL 5)
Descriptors: MW 411.45, ALogP 3.87, HBA 4, HBD 1, PSA 63.99, QED 0.69
Compound (SMILES): Cc1cc(C)c(S(=O)(=O)NC(Cn2cc(C#N)c3ccccc32)C(F)(F)F)c(C)c1
InChIKey: CPXLOFOGNURDFC-UHFFFAOYSA-N
Target: Progesterone receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P06401
Assay: Displacement of TAMRA-labeled mifepristone from progesterone receptor (unknown origin) by fluorescence polarization competitive binding assay
Measurement: IC50 = 530 nM (pChEMBL 6.28000020980835)
Descriptors: MW 435.47, ALogP 4.35, HBA 4, HBD 1, PSA 74.89, QED 0.65
Compound (SMILES): Cc1cc(C)c(S(=O)(=O)NC(Cn2ccc3c(C#N)cccc32)C(F)(F)F)c(C)c1
InChIKey: DUZBBWARHFOMBJ-UHFFFAOYSA-N
Target: Progesterone receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P06401
Assay: Displacement of TAMRA-labeled mifepristone from progesterone receptor (unknown origin) by fluorescence polarization competitive binding assay
Measurement: IC50 = 700 nM (pChEMBL 6.159999847412109)
Descriptors: MW 435.47, ALogP 4.35, HBA 4, HBD 1, PSA 74.89, QED 0.65
Compound (SMILES): Cc1cc(C)c(S(=O)(=O)NC(CNc2ccccc2)C(F)(F)F)c(C)c1
InChIKey: PVUYPBAPWIWFAJ-UHFFFAOYSA-N
Target: Progesterone receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P06401
Assay: Displacement of TAMRA-labeled mifepristone from progesterone receptor (unknown origin) by fluorescence polarization competitive binding assay
Measurement: IC50 = 3200 nM (pChEMBL 5.5)
Descriptors: MW 386.44, ALogP 3.93, HBA 3, HBD 2, PSA 58.2, QED 0.79
Compound (SMILES): Cc1cc(C)c(S(=O)(=O)NC(COc2ccccc2)C(F)(F)F)c(C)c1
InChIKey: IFNZOVIDIOXFMG-UHFFFAOYSA-N
Target: Progesterone receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P06401
Assay: Displacement of TAMRA-labeled mifepristone from progesterone receptor (unknown origin) by fluorescence polarization competitive binding assay
Measurement: IC50 = 6400 nM (pChEMBL 5.190000057220459)
Descriptors: MW 387.42, ALogP 3.9, HBA 3, HBD 1, PSA 55.4, QED 0.82
Compound (SMILES): Cc1cc(C)c(S(=O)(=O)NC(CSc2ccccc2)C(F)(F)F)c(C)c1
InChIKey: XZOCWBJVVFJEFU-UHFFFAOYSA-N
Target: Progesterone receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P06401
Assay: Displacement of TAMRA-labeled mifepristone from progesterone receptor (unknown origin) by fluorescence polarization competitive binding assay
Measurement: IC50 = 2000 nM (pChEMBL 5.699999809265137)
Descriptors: MW 403.49, ALogP 4.61, HBA 3, HBD 1, PSA 46.17, QED 0.72
Compound (SMILES): CC[C@@H](Cn1ccc2ccccc21)NS(=O)(=O)c1c(N)cc(Cl)cc1Cl
InChIKey: RXEIQMFFHIVGLD-AWEZNQCLSA-N
Target: Progesterone receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P06401
Assay: Displacement of TAMRA-labeled mifepristone from progesterone receptor (unknown origin) by fluorescence polarization competitive binding assay
Measurement: IC50 > 10000 nM (pChEMBL 5)
Descriptors: MW 412.34, ALogP 4.29, HBA 4, HBD 2, PSA 77.12, QED 0.59
Compound (SMILES): CC[C@@H](Cn1cc(C)c2ccccc21)NS(=O)(=O)c1c(N)cc(Cl)cc1Cl
InChIKey: HHJSGMINRSKVLO-AWEZNQCLSA-N
Target: Cytochrome P450 3A4 (SINGLE PROTEIN), Homo sapiens
UniProt: P08684
Assay: Inhibition of CYP3A4 (unknown origin) using 7-benzyloxy-4-trifluoromethylcoumarin as substrate
Measurement: IC50 = 940 nM (pChEMBL 6.03000020980835)
Descriptors: MW 426.37, ALogP 4.6, HBA 4, HBD 2, PSA 77.12, QED 0.57
Compound (SMILES): CC[C@@H](Cn1cc(C#N)c2ccccc21)NS(=O)(=O)c1c(N)cc(Cl)cc1Cl
InChIKey: KLTYQAJNDLZNSD-AWEZNQCLSA-N
Target: Progesterone receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P06401
Assay: Displacement of TAMRA-labeled mifepristone from progesterone receptor (unknown origin) by fluorescence polarization competitive binding assay
Measurement: IC50 = 1500 nM (pChEMBL 5.820000171661377)
Descriptors: MW 437.35, ALogP 4.16, HBA 5, HBD 2, PSA 100.91, QED 0.57
Compound (SMILES): Cc1ccc(C(=O)Nc2ccc(Oc3ccc4nc(NC(=O)C5CC5)cn4c3)c(F)c2)c(=O)n1-c1ccccc1.Cl
InChIKey: OJYDTTFFDHJUIB-UHFFFAOYSA-N
Target: Vascular endothelial growth factor receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P35968
Assay: Inhibition of N-terminal FLAG-tagged VEGFR2 cytoplasmic domain (790 to 1356) (unknown origin) expressed in baculovirus expression system using biotinylated poly-GluTyr (4:1) as substrate preincubated for 5 mins followed by 1000 uM of ATP addition measured after 10 mins by AlphaScreen assay
Measurement: IC50 = 9.6 nM (pChEMBL 8.020000457763672)
Descriptors: MW 537.55, ALogP 5.33, HBA 7, HBD 2, PSA 106.73, QED 0.29
Compound (SMILES): O=C(Nc1ccc(Oc2ccc3nc(NC(=O)C4CC4)cn3c2)c(F)c1)c1cccn(-c2ccccc2)c1=O
InChIKey: VKRRGKOVGYHCBL-UHFFFAOYSA-N
Target: Vascular endothelial growth factor receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P35968
Assay: Inhibition of N-terminal FLAG-tagged VEGFR2 cytoplasmic domain (790 to 1356) (unknown origin) expressed in baculovirus expression system using biotinylated poly-GluTyr (4:1) as substrate preincubated for 5 mins followed by 1000 uM of ATP addition measured after 10 mins by AlphaScreen assay
Measurement: IC50 = 1.3 nM (pChEMBL 8.890000343322754)
Descriptors: MW 523.52, ALogP 5.02, HBA 7, HBD 2, PSA 106.73, QED 0.31
Compound (SMILES): Cc1ccc(C(=O)Nc2ccc(Oc3ccc4nc(NC(=O)C5CC5)cn4n3)c(F)c2)c(=O)n1-c1ccccc1
InChIKey: UUDQJODJTHYBOX-UHFFFAOYSA-N
Target: Vascular endothelial growth factor receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P35968
Assay: Inhibition of N-terminal FLAG-tagged VEGFR2 cytoplasmic domain (790 to 1356) (unknown origin) expressed in baculovirus expression system using biotinylated poly-GluTyr (4:1) as substrate preincubated for 5 mins followed by 1000 uM of ATP addition measured after 10 mins by AlphaScreen assay
Measurement: IC50 = 7.5 nM (pChEMBL 8.119999885559082)
Descriptors: MW 538.54, ALogP 4.72, HBA 8, HBD 2, PSA 119.62, QED 0.31
Compound (SMILES): O=C(Nc1ccc(Oc2ccc3nc(NC(=O)C4CC4)cn3n2)c(F)c1)c1cccn(-c2ccccc2)c1=O
InChIKey: GVVAOKGDOGVPSI-UHFFFAOYSA-N
Target: Vascular endothelial growth factor receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P35968
Assay: Inhibition of N-terminal FLAG-tagged VEGFR2 cytoplasmic domain (790 to 1356) (unknown origin) expressed in baculovirus expression system using biotinylated poly-GluTyr (4:1) as substrate preincubated for 5 mins followed by 1000 uM of ATP addition measured after 10 mins by AlphaScreen assay
Measurement: IC50 = 5.2 nM (pChEMBL 8.279999732971191)
Descriptors: MW 524.51, ALogP 4.41, HBA 8, HBD 2, PSA 119.62, QED 0.33
Compound (SMILES): Cc1ccn(-c2ccccc2)c(=O)c1C(=O)Nc1ccc(Oc2ccc3nc(NC(=O)C4CC4)cn3n2)c(F)c1
InChIKey: GLHCZNFHZBSVML-UHFFFAOYSA-N
Target: Vascular endothelial growth factor receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P35968
Assay: Inhibition of N-terminal FLAG-tagged VEGFR2 cytoplasmic domain (790 to 1356) (unknown origin) expressed in baculovirus expression system using biotinylated poly-GluTyr (4:1) as substrate preincubated for 5 mins followed by 1000 uM of ATP addition measured after 10 mins by AlphaScreen assay
Measurement: IC50 = 9.7 nM (pChEMBL 8.010000228881836)
Descriptors: MW 538.54, ALogP 4.72, HBA 8, HBD 2, PSA 119.62, QED 0.31
Compound (SMILES): Cn1cc(C(=O)Nc2ccc(Oc3ccc4nc(NC(=O)C5CC5)cn4n3)c(F)c2)c(=O)n1-c1ccccc1
InChIKey: JFRXDVGOZQPQTN-UHFFFAOYSA-N
Target: Vascular endothelial growth factor receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P35968
Assay: Inhibition of N-terminal FLAG-tagged VEGFR2 cytoplasmic domain (790 to 1356) (unknown origin) expressed in baculovirus expression system using biotinylated poly-GluTyr (4:1) as substrate preincubated for 5 mins followed by 1000 uM of ATP addition measured after 10 mins by AlphaScreen assay
Measurement: IC50 = 28 nM (pChEMBL 7.550000190734863)
Descriptors: MW 527.52, ALogP 3.75, HBA 9, HBD 2, PSA 124.55, QED 0.33
Compound (SMILES): Cc1cc(C(=O)Nc2ccc(Oc3ccc4nc(NC(=O)C5CC5)cn4n3)cc2)nn1-c1ccccc1
InChIKey: MZTUKIVBKFNLSN-UHFFFAOYSA-N
Target: Hepatocyte growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08581
Assay: Inhibition of c-Met (unknown origin) using biotinylated poly-GluTyr (4:1) as substrate preincubated for 5 mins followed by 2 uM of ATP addition measured after 20 mins by AlphaScreen assay
Measurement: IC50 = 89 nM (pChEMBL 7.050000190734863)
Descriptors: MW 493.53, ALogP 4.62, HBA 8, HBD 2, PSA 115.44, QED 0.34
Compound (SMILES): Cn1cc(C(=O)Nc2ccc(Oc3ccc4nc(NC(=O)C5CC5)cn4n3)cc2)c(=O)n1-c1ccccc1
InChIKey: KMSULJIFXXDZAE-UHFFFAOYSA-N
Target: Vascular endothelial growth factor receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P35968
Assay: Inhibition of N-terminal FLAG-tagged VEGFR2 cytoplasmic domain (790 to 1356) (unknown origin) expressed in baculovirus expression system using biotinylated poly-GluTyr (4:1) as substrate preincubated for 5 mins followed by 1000 uM of ATP addition measured after 10 mins by AlphaScreen assay
Measurement: IC50 = 26 nM (pChEMBL 7.579999923706055)
Descriptors: MW 509.53, ALogP 3.61, HBA 9, HBD 2, PSA 124.55, QED 0.35
Compound (SMILES): Cc1cc(C(=O)Nc2ccc(Oc3ccc4nc(NC(=O)C5CC5)cn4n3)cc2)n(C)n1
InChIKey: QQRNMHAQOQJDCE-UHFFFAOYSA-N
Target: Hepatocyte growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08581
Assay: Inhibition of c-Met (unknown origin) using biotinylated poly-GluTyr (4:1) as substrate preincubated for 5 mins followed by 2 uM of ATP addition measured after 20 mins by AlphaScreen assay
Measurement: IC50 = 940 nM (pChEMBL 6.03000020980835)
Descriptors: MW 431.46, ALogP 3.16, HBA 8, HBD 2, PSA 115.44, QED 0.48
Compound (SMILES): O=C(O)Cc1cnc(C(=O)c2ccc(NC(=O)OCc3ccc(Cl)c(Cl)c3)cc2)c2ccccc12
InChIKey: UCSABLCUUXBNCX-UHFFFAOYSA-N
Target: Prostaglandin D2 receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9Y5Y4
Assay: Displacement of [3H]PGD2 from human CRTH2 transfected in CHO cells by liquid scintillation counting analysis
Measurement: IC50 = 6.7 nM (pChEMBL 8.170000076293945)
Descriptors: MW 509.35, ALogP 6.15, HBA 5, HBD 2, PSA 105.59, QED 0.29
Compound (SMILES): O=C(O)Cc1cnc(C(=O)c2ccc(C(=O)Nc3ccc(Cl)cc3)cc2)c2ccccc12
InChIKey: DQKKTKWQDFYPBA-UHFFFAOYSA-N
Target: Prostaglandin D2 receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9Y5Y4
Assay: Displacement of [3H]PGD2 from human CRTH2 transfected in CHO cells by liquid scintillation counting analysis
Measurement: IC50 = 8.2 nM (pChEMBL 8.09000015258789)
Descriptors: MW 444.87, ALogP 5, HBA 4, HBD 2, PSA 96.36, QED 0.41
Compound (SMILES): O=C(O)Cc1cnc(C(=O)c2ccc(C(=O)NCCc3ccc(Cl)c(Cl)c3)cc2)c2ccccc12
InChIKey: DEKAJKZBTSPPSU-UHFFFAOYSA-N
Target: Prostaglandin D2 receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9Y5Y4
Assay: Displacement of [3H]PGD2 from human CRTH2 transfected in CHO cells by liquid scintillation counting analysis
Measurement: IC50 = 3.7 nM (pChEMBL 8.430000305175781)
Descriptors: MW 507.37, ALogP 5.37, HBA 4, HBD 2, PSA 96.36, QED 0.31
Compound (SMILES): O=C(O)Cc1cnc(C(=O)c2ccc(OCCc3ccc(Cl)cc3)cc2)c2ccccc12
InChIKey: ZVMBMVWWCVFFCS-UHFFFAOYSA-N
Target: Prostaglandin D2 receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9Y5Y4
Assay: Displacement of [3H]PGD2 from human CRTH2 transfected in CHO cells by liquid scintillation counting analysis
Measurement: IC50 = 12 nM (pChEMBL 7.920000076293945)
Descriptors: MW 445.9, ALogP 5.37, HBA 4, HBD 1, PSA 76.49, QED 0.37
Compound (SMILES): O=C(O)Cc1cnc(C(=O)c2ccc(OCCCc3ccc(Cl)cc3)cc2)c2ccccc12
InChIKey: CBLRMZZMUYVXFX-UHFFFAOYSA-N
Target: Prostaglandin D2 receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9Y5Y4
Assay: Displacement of [3H]PGD2 from human CRTH2 transfected in CHO cells by liquid scintillation counting analysis
Measurement: IC50 = 11 nM (pChEMBL 7.960000038146973)
Descriptors: MW 459.93, ALogP 5.76, HBA 4, HBD 1, PSA 76.49, QED 0.25
Compound (SMILES): Cc1ccc(C(=O)Nc2ccc(C(=O)c3ncc(CC(=O)O)c4ccccc34)cc2)cc1
InChIKey: PUEXEOLLMWCZSK-UHFFFAOYSA-N
Target: Prostaglandin D2 receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9Y5Y4
Assay: Displacement of [3H]PGD2 from human CRTH2 transfected in CHO cells by liquid scintillation counting analysis
Measurement: IC50 = 5.2 nM (pChEMBL 8.279999732971191)
Descriptors: MW 424.46, ALogP 4.65, HBA 4, HBD 2, PSA 96.36, QED 0.44
Compound (SMILES): O=C(O)Cc1cnc(C(=O)c2ccc(NC(=O)c3ccc(OC(F)(F)F)cc3)cc2)c2ccccc12
InChIKey: MSZLUFWXFPFMMY-UHFFFAOYSA-N
Target: Prostaglandin D2 receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9Y5Y4
Assay: Displacement of [3H]PGD2 from human CRTH2 transfected in CHO cells by liquid scintillation counting analysis
Measurement: IC50 = 11 nM (pChEMBL 7.960000038146973)
Descriptors: MW 494.43, ALogP 5.24, HBA 5, HBD 2, PSA 105.59, QED 0.34
Compound (SMILES): N#Cc1ccc(C(=O)Nc2ccc(C(=O)c3ncc(CC(=O)O)c4ccccc34)cc2)cc1
InChIKey: GAEQJPJHECZHRW-UHFFFAOYSA-N
Target: Prostaglandin D2 receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9Y5Y4
Assay: Displacement of [3H]PGD2 from human CRTH2 transfected in CHO cells by liquid scintillation counting analysis
Measurement: IC50 = 7.8 nM (pChEMBL 8.109999656677246)
Descriptors: MW 435.44, ALogP 4.22, HBA 5, HBD 2, PSA 120.15, QED 0.44
Compound (SMILES): O=C(O)Cc1cnc(C(=O)c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3)cc2)c2ccccc12
InChIKey: HPRQSGVOCWVPDG-UHFFFAOYSA-N
Target: Prostaglandin D2 receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9Y5Y4
Assay: Displacement of [3H]PGD2 from human CRTH2 transfected in CHO cells by liquid scintillation counting analysis
Measurement: IC50 = 9.9 nM (pChEMBL 8)
Descriptors: MW 455.43, ALogP 4.25, HBA 6, HBD 2, PSA 139.5, QED 0.24
Compound (SMILES): CN(C)c1ccc(C(=O)Nc2ccc(C(=O)c3ncc(CC(=O)O)c4ccccc34)cc2)cc1
InChIKey: KOUCLTRRCYOAMK-UHFFFAOYSA-N
Target: Prostaglandin D2 receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9Y5Y4
Assay: Displacement of [3H]PGD2 from human CRTH2 transfected in CHO cells by liquid scintillation counting analysis
Measurement: IC50 = 6.2 nM (pChEMBL 8.210000038146973)
Descriptors: MW 453.5, ALogP 4.41, HBA 5, HBD 2, PSA 99.6, QED 0.4
Compound (SMILES): O=C(O)Cc1cnc(C(=O)c2ccc(NC(=O)c3ccc(-c4ccccc4)cc3)cc2)c2ccccc12
InChIKey: AHQUTLSTXAUDDC-UHFFFAOYSA-N
Target: Prostaglandin D2 receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9Y5Y4
Assay: Displacement of [3H]PGD2 from human CRTH2 transfected in CHO cells by liquid scintillation counting analysis
Measurement: IC50 = 18 nM (pChEMBL 7.75)
Descriptors: MW 486.53, ALogP 6.01, HBA 4, HBD 2, PSA 96.36, QED 0.27
Compound (SMILES): O=C(O)Cc1cnc(C(=O)c2ccc(NC(=O)c3ccc(Oc4ccccc4)cc3)cc2)c2ccccc12
InChIKey: GPNIPRWDFASVEP-UHFFFAOYSA-N
Target: Prostaglandin D2 receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9Y5Y4
Assay: Displacement of [3H]PGD2 from human CRTH2 transfected in CHO cells by liquid scintillation counting analysis
Measurement: IC50 = 14 nM (pChEMBL 7.849999904632568)
Descriptors: MW 502.53, ALogP 6.14, HBA 5, HBD 2, PSA 105.59, QED 0.25
Compound (SMILES): O=C(O)Cc1cnc(C(=O)c2ccc(NC(=O)Cc3ccc(Cl)c(Cl)c3)cc2)c2ccccc12
InChIKey: VWQRLVYVNCTXBW-UHFFFAOYSA-N
Target: Prostaglandin D2 receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9Y5Y4
Assay: Displacement of [3H]PGD2 from human CRTH2 transfected in CHO cells by liquid scintillation counting analysis
Measurement: IC50 = 15 nM (pChEMBL 7.820000171661377)
Descriptors: MW 493.35, ALogP 5.58, HBA 4, HBD 2, PSA 96.36, QED 0.33
Compound (SMILES): O=C(O)Cc1cnc(C(=O)c2ccc(NC(=O)Nc3ccc(Cl)c(Cl)c3)cc2)c2ccccc12
InChIKey: CNAJRELHCIKPPZ-UHFFFAOYSA-N
Target: Prostaglandin D2 receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9Y5Y4
Assay: Displacement of [3H]PGD2 from human CRTH2 transfected in CHO cells by liquid scintillation counting analysis
Measurement: IC50 = 13 nM (pChEMBL 7.889999866485596)
Descriptors: MW 494.33, ALogP 6.04, HBA 4, HBD 3, PSA 108.39, QED 0.28
Compound (SMILES): O=C(O)Cc1cnc(C(=O)c2ccc(NC(=O)CC3CCCCC3)cc2)c2ccccc12
InChIKey: DEASDPOUKDUMLS-UHFFFAOYSA-N
Target: Prostaglandin D2 receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9Y5Y4
Assay: Displacement of [3H]PGD2 from human CRTH2 transfected in CHO cells by liquid scintillation counting analysis
Measurement: IC50 = 20 nM (pChEMBL 7.699999809265137)
Descriptors: MW 430.5, ALogP 5, HBA 4, HBD 2, PSA 96.36, QED 0.51
Compound (SMILES): O=C(O)Cc1cnc(C(=O)c2ccc(NC(=O)CC34CC5CC(CC(C5)C3)C4)cc2)c2ccccc12
InChIKey: CJSTWECPNQBOGD-UHFFFAOYSA-N
Target: Prostaglandin D2 receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9Y5Y4
Assay: Displacement of [3H]PGD2 from human CRTH2 transfected in CHO cells by liquid scintillation counting analysis
Measurement: IC50 = 21 nM (pChEMBL 7.679999828338623)
Descriptors: MW 482.58, ALogP 5.64, HBA 4, HBD 2, PSA 96.36, QED 0.43
Compound (SMILES): O=C(O)Cc1cnc(C(=O)c2ccc(NC(=O)C3CCOCC3)cc2)c2ccccc12
InChIKey: AQVQHJCNMSBQON-UHFFFAOYSA-N
Target: Prostaglandin D2 receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9Y5Y4
Assay: Displacement of [3H]PGD2 from human CRTH2 transfected in CHO cells by liquid scintillation counting analysis
Measurement: IC50 = 400 nM (pChEMBL 6.400000095367432)
Descriptors: MW 418.45, ALogP 3.46, HBA 5, HBD 2, PSA 105.59, QED 0.59
Compound (SMILES): O=C(O)Cc1cnc(C(=O)c2ccc(NC(=O)c3cccc4ccccc34)cc2)c2ccccc12
InChIKey: VFRWDFKXJUFVQT-UHFFFAOYSA-N
Target: Prostaglandin D2 receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9Y5Y4
Assay: Displacement of [3H]PGD2 from human CRTH2 transfected in CHO cells by liquid scintillation counting analysis
Measurement: IC50 = 31 nM (pChEMBL 7.510000228881836)
Descriptors: MW 460.49, ALogP 5.5, HBA 4, HBD 2, PSA 96.36, QED 0.33
Compound (SMILES): O=C(O)Cc1cnc(C(=O)c2ccc(NC(=O)c3cc4ccccc4o3)cc2)c2ccccc12
InChIKey: RHJYFBMNNRRKDR-UHFFFAOYSA-N
Target: Prostaglandin D2 receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9Y5Y4
Assay: Displacement of [3H]PGD2 from human CRTH2 transfected in CHO cells by liquid scintillation counting analysis
Measurement: IC50 = 3.8 nM (pChEMBL 8.420000076293945)
Descriptors: MW 450.45, ALogP 5.09, HBA 5, HBD 2, PSA 109.5, QED 0.35
Compound (SMILES): O=C(O)Cc1cnc(C(=O)c2ccc(NC(=O)c3cccnn3)cc2)c2ccccc12
InChIKey: BIIVYPLTYWATMS-UHFFFAOYSA-N
Target: Prostaglandin D2 receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9Y5Y4
Assay: Displacement of [3H]PGD2 from human CRTH2 transfected in CHO cells by liquid scintillation counting analysis
Measurement: IC50 = 322 nM (pChEMBL 6.489999771118164)
Descriptors: MW 412.41, ALogP 3.14, HBA 6, HBD 2, PSA 122.14, QED 0.47
Compound (SMILES): O=C(O)Cc1cnc(C(=O)c2ccc(NC(=O)c3cscn3)cc2)c2ccccc12
InChIKey: ARHSQYCGAQRIMP-UHFFFAOYSA-N
Target: Prostaglandin D2 receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9Y5Y4
Assay: Displacement of [3H]PGD2 from human CRTH2 transfected in CHO cells by liquid scintillation counting analysis
Measurement: IC50 = 67 nM (pChEMBL 7.170000076293945)
Descriptors: MW 417.45, ALogP 3.8, HBA 6, HBD 2, PSA 109.25, QED 0.46
Compound (SMILES): O=C(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1cnc(N2CCOCC2)nc1N[C@H]1CC[C@H](O)CC1
InChIKey: YRZPEINIRHVBPS-KESTWPANSA-N
Target: Tyrosine-protein kinase receptor UFO (SINGLE PROTEIN), Homo sapiens
UniProt: P30530
Assay: Inhibition of Axl kinase (unknown origin) using 5-FAM-KKKKEEIYFFF-CONH2 as substrate after 180 mins by microfluidic capillary electrophoresis assay
Measurement: IC50 > 30000 nM (pChEMBL 4.5229997634887695)
Descriptors: MW 546.65, ALogP 1.3, HBA 10, HBD 3, PSA 146.22, QED 0.46
Compound (SMILES): CCCNc1ncc(C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)c(N[C@H]2CC[C@H](O)CC2)n1
InChIKey: FWSIMUXTYLCNLB-UAPYVXQJSA-N
Target: Tyrosine-protein kinase receptor UFO (SINGLE PROTEIN), Homo sapiens
UniProt: P30530
Assay: Inhibition of Axl kinase (unknown origin) using 5-FAM-KKKKEEIYFFF-CONH2 as substrate after 180 mins by microfluidic capillary electrophoresis assay
Measurement: IC50 = 610 nM (pChEMBL 6.210000038146973)
Descriptors: MW 518.64, ALogP 2.29, HBA 9, HBD 4, PSA 145.78, QED 0.39
Compound (SMILES): CCCCCNc1ncc(C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)c(N[C@H]2CC[C@H](O)CC2)n1
InChIKey: HSKPWLBWANOLQJ-XUTJKUGGSA-N
Target: Tyrosine-protein kinase receptor UFO (SINGLE PROTEIN), Homo sapiens
UniProt: P30530
Assay: Inhibition of Axl kinase (unknown origin) using 5-FAM-KKKKEEIYFFF-CONH2 as substrate after 180 mins by microfluidic capillary electrophoresis assay
Measurement: IC50 = 1100 nM (pChEMBL 5.960000038146973)
Descriptors: MW 546.69, ALogP 3.07, HBA 9, HBD 4, PSA 145.78, QED 0.31
Compound (SMILES): O=C(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1cnc(NCCC2CC2)nc1N[C@H]1CC[C@H](O)CC1
InChIKey: JMWVQYVMGWIDOO-XUTJKUGGSA-N
Target: Tyrosine-protein kinase receptor UFO (SINGLE PROTEIN), Homo sapiens
UniProt: P30530
Assay: Inhibition of Axl kinase (unknown origin) using 5-FAM-KKKKEEIYFFF-CONH2 as substrate after 180 mins by microfluidic capillary electrophoresis assay
Measurement: IC50 = 300 nM (pChEMBL 6.519999980926514)
Descriptors: MW 544.68, ALogP 2.68, HBA 9, HBD 4, PSA 145.78, QED 0.35
Compound (SMILES): O=C(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1cnc(NCCCC(F)(F)F)nc1N[C@H]1CC[C@H](O)CC1
InChIKey: WHWWZWPSOQJMQR-UAPYVXQJSA-N
Target: Tyrosine-protein kinase receptor UFO (SINGLE PROTEIN), Homo sapiens
UniProt: P30530
Assay: Inhibition of Axl kinase (unknown origin) using 5-FAM-KKKKEEIYFFF-CONH2 as substrate after 180 mins by microfluidic capillary electrophoresis assay
Measurement: IC50 = 5700 nM (pChEMBL 5.239999771118164)
Descriptors: MW 586.64, ALogP 3.22, HBA 9, HBD 4, PSA 145.78, QED 0.31
Compound (SMILES): O=C(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1cnc(NCCCO)nc1N[C@H]1CC[C@H](O)CC1
InChIKey: KSWWEWKERJBYBF-UAPYVXQJSA-N
Target: Tyrosine-protein kinase receptor UFO (SINGLE PROTEIN), Homo sapiens
UniProt: P30530
Assay: Inhibition of Axl kinase (unknown origin) using 5-FAM-KKKKEEIYFFF-CONH2 as substrate after 180 mins by microfluidic capillary electrophoresis assay
Measurement: IC50 = 4300 nM (pChEMBL 5.369999885559082)
Descriptors: MW 534.64, ALogP 1.26, HBA 10, HBD 5, PSA 166.01, QED 0.28
Compound (SMILES): CC(C)Nc1ncc(C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)c(N[C@H]2CC[C@H](O)CC2)n1
InChIKey: RIDPOYWCOSZKLX-UAPYVXQJSA-N
Target: Tyrosine-protein kinase receptor UFO (SINGLE PROTEIN), Homo sapiens
UniProt: P30530
Assay: Inhibition of Axl kinase (unknown origin) using 5-FAM-KKKKEEIYFFF-CONH2 as substrate after 180 mins by microfluidic capillary electrophoresis assay
Measurement: IC50 = 1900 nM (pChEMBL 5.71999979019165)
Descriptors: MW 518.64, ALogP 2.29, HBA 9, HBD 4, PSA 145.78, QED 0.41
Compound (SMILES): O=C(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1cnc(NC2CCCCC2)nc1N[C@H]1CC[C@H](O)CC1
InChIKey: NVGYLVRTAGAASJ-AQYVVDRMSA-N
Target: Tyrosine-protein kinase receptor UFO (SINGLE PROTEIN), Homo sapiens
UniProt: P30530
Assay: Inhibition of Axl kinase (unknown origin) using 5-FAM-KKKKEEIYFFF-CONH2 as substrate after 180 mins by microfluidic capillary electrophoresis assay
Measurement: IC50 = 9000 nM (pChEMBL 5.050000190734863)
Descriptors: MW 558.71, ALogP 3.21, HBA 9, HBD 4, PSA 145.78, QED 0.38
Compound (SMILES): O=C(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1cnc(NC2CCOCC2)nc1N[C@H]1CC[C@H](O)CC1
InChIKey: QEGOHWRXPWNJLM-XGAFWQRZSA-N
Target: Tyrosine-protein kinase receptor UFO (SINGLE PROTEIN), Homo sapiens
UniProt: P30530
Assay: Inhibition of Axl kinase (unknown origin) using 5-FAM-KKKKEEIYFFF-CONH2 as substrate after 180 mins by microfluidic capillary electrophoresis assay
Measurement: IC50 = 7400 nM (pChEMBL 5.130000114440918)
Descriptors: MW 560.68, ALogP 2.06, HBA 10, HBD 4, PSA 155.01, QED 0.38
Compound (SMILES): O=C(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1cnc(NCc2ccc(F)cc2)nc1N[C@H]1CC[C@H](O)CC1
InChIKey: KNJWVKYCJCNLTC-AFARHQOCSA-N
Target: Tyrosine-protein kinase receptor UFO (SINGLE PROTEIN), Homo sapiens
UniProt: P30530
Assay: Inhibition of Axl kinase (unknown origin) using 5-FAM-KKKKEEIYFFF-CONH2 as substrate after 180 mins by microfluidic capillary electrophoresis assay
Measurement: IC50 > 30000 nM (pChEMBL 4.5229997634887695)
Descriptors: MW 584.67, ALogP 3.22, HBA 9, HBD 4, PSA 145.78, QED 0.3
Compound (SMILES): CN(C)c1ncc(C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)c(N[C@H]2CC[C@H](O)CC2)n1
InChIKey: KLCLEAVDENJUGH-SAABIXHNSA-N
Target: Tyrosine-protein kinase receptor UFO (SINGLE PROTEIN), Homo sapiens
UniProt: P30530
Assay: Inhibition of Axl kinase (unknown origin) using 5-FAM-KKKKEEIYFFF-CONH2 as substrate after 180 mins by microfluidic capillary electrophoresis assay
Measurement: IC50 > 30000 nM (pChEMBL 4.5229997634887695)
Descriptors: MW 504.61, ALogP 1.53, HBA 9, HBD 3, PSA 136.99, QED 0.51
Compound (SMILES): CCCCNc1ncc(C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)c(N[C@H]2CC[C@H](N)CC2)n1
InChIKey: IJBQYPBBOUFSEN-WGSAOQKQSA-N
Target: Tyrosine-protein kinase receptor UFO (SINGLE PROTEIN), Homo sapiens
UniProt: P30530
Assay: Inhibition of Axl kinase (unknown origin) using 5-FAM-KKKKEEIYFFF-CONH2 as substrate after 180 mins by microfluidic capillary electrophoresis assay
Measurement: IC50 = 400 nM (pChEMBL 6.400000095367432)
Descriptors: MW 531.68, ALogP 2.64, HBA 9, HBD 4, PSA 151.57, QED 0.34
Compound (SMILES): CCCCNc1ncc(C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)c(NC2CCCCC2)n1
InChIKey: ZQOUBHKEPWWNKQ-UHFFFAOYSA-N
Target: Tyrosine-protein kinase receptor TYRO3 (SINGLE PROTEIN), Homo sapiens
UniProt: Q06418
Assay: Inhibition of Tyro-3 kinase (unknown origin) using 5-FAM-EFPIYDFLPAKKK-CONH2 as substrate after 180 mins by microfluidic capillary electrophoresis assay
Measurement: IC50 > 30000 nM (pChEMBL 4.5229997634887695)
Descriptors: MW 516.67, ALogP 3.71, HBA 8, HBD 3, PSA 125.55, QED 0.41
Compound (SMILES): CCCCNc1ncc(C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)c(NCC2CCNCC2)n1
InChIKey: CSTHTXUPJYUFSY-UHFFFAOYSA-N
Target: Tyrosine-protein kinase receptor UFO (SINGLE PROTEIN), Homo sapiens
UniProt: P30530
Assay: Inhibition of Axl kinase (unknown origin) using 5-FAM-KKKKEEIYFFF-CONH2 as substrate after 180 mins by microfluidic capillary electrophoresis assay
Measurement: IC50 = 4700 nM (pChEMBL 5.329999923706055)
Descriptors: MW 531.68, ALogP 2.37, HBA 9, HBD 4, PSA 137.58, QED 0.32
Compound (SMILES): CCCCNc1ncc(C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)c(NC[C@@H]2CCCNC2)n1
InChIKey: JGSVNIPAOGOWTI-LJQANCHMSA-N
Target: Tyrosine-protein kinase receptor UFO (SINGLE PROTEIN), Homo sapiens
UniProt: P30530
Assay: Inhibition of Axl kinase (unknown origin) using 5-FAM-KKKKEEIYFFF-CONH2 as substrate after 180 mins by microfluidic capillary electrophoresis assay
Measurement: IC50 = 14000 nM (pChEMBL 4.849999904632568)
Descriptors: MW 531.68, ALogP 2.37, HBA 9, HBD 4, PSA 137.58, QED 0.32
Compound (SMILES): CCCCNc1ncc(C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)c(NC2CCNCC2)n1
InChIKey: GSYCGAZRNZUCGI-UHFFFAOYSA-N
Target: Tyrosine-protein kinase receptor UFO (SINGLE PROTEIN), Homo sapiens
UniProt: P30530
Assay: Inhibition of Axl kinase (unknown origin) using 5-FAM-KKKKEEIYFFF-CONH2 as substrate after 180 mins by microfluidic capillary electrophoresis assay
Measurement: IC50 = 10700 nM (pChEMBL 4.96999979019165)
Descriptors: MW 517.66, ALogP 2.13, HBA 9, HBD 4, PSA 137.58, QED 0.35
Compound (SMILES): CCCCNc1ncc(C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)c(N[C@@H]2CCNC2)n1
InChIKey: PUVADVGBMMQLRI-GOSISDBHSA-N
Target: Tyrosine-protein kinase receptor TYRO3 (SINGLE PROTEIN), Homo sapiens
UniProt: Q06418
Assay: Inhibition of Tyro-3 kinase (unknown origin) using 5-FAM-EFPIYDFLPAKKK-CONH2 as substrate after 180 mins by microfluidic capillary electrophoresis assay
Measurement: IC50 = 19500 nM (pChEMBL 4.710000038146973)
Descriptors: MW 503.63, ALogP 1.74, HBA 9, HBD 4, PSA 137.58, QED 0.36
Compound (SMILES): CCCCNc1ncc(C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)c(N[C@H]2CCNC2)n1
InChIKey: PUVADVGBMMQLRI-SFHVURJKSA-N
Target: Tyrosine-protein kinase receptor UFO (SINGLE PROTEIN), Homo sapiens
UniProt: P30530
Assay: Inhibition of Axl kinase (unknown origin) using 5-FAM-KKKKEEIYFFF-CONH2 as substrate after 180 mins by microfluidic capillary electrophoresis assay
Measurement: IC50 = 12600 nM (pChEMBL 4.900000095367432)
Descriptors: MW 503.63, ALogP 1.74, HBA 9, HBD 4, PSA 137.58, QED 0.36