lovingscience/chembl-v37-raw-activities huggingface dataset:
Compound (SMILES): COc1ccc2c(c1)c(-c1nc3ccccc3n1C(=O)c1ccc(OC)c(OC)c1)cn2C
InChIKey: VAHDBEDPEPTZBX-UHFFFAOYSA-N
Target: Tubulin (PROTEIN COMPLEX), Bos taurus
UniProt: Q6B856
Assay: Inhibition of bovine brain tubulin polymerization extent after 20 mins by turbidimetrically
Measurement: IC50 = 1700 nM (pChEMBL 5.769999980926514)
Descriptors: MW 441.49, ALogP 4.91, HBA 7, HBD 0, PSA 67.51, QED 0.39
Compound (SMILES): COc1ccc2c(c1)c(-c1nc3ccccc3n1C(=O)c1cc(OC)c(OC)c(OC)c1)cn2C
InChIKey: MRDQNNGHWKHUSU-UHFFFAOYSA-N
Target: Tubulin (PROTEIN COMPLEX), Bos taurus
UniProt: Q6B856
Assay: Inhibition of bovine brain tubulin polymerization extent after 20 mins by turbidimetrically
Measurement: IC50 = 1500 nM (pChEMBL 5.820000171661377)
Descriptors: MW 471.51, ALogP 4.92, HBA 8, HBD 0, PSA 76.74, QED 0.35
Compound (SMILES): COc1ccc2c(c1)c(-c1nc3ccccc3n1C(=O)c1ccccc1Br)cn2C
InChIKey: ZSWFDIOQJIGURP-UHFFFAOYSA-N
Target: Tubulin (PROTEIN COMPLEX), Bos taurus
UniProt: Q6B856
Assay: Inhibition of bovine brain tubulin polymerization extent after 20 mins by turbidimetrically
Measurement: IC50 = 32300 nM (pChEMBL 4.489999771118164)
Descriptors: MW 460.33, ALogP 5.65, HBA 5, HBD 0, PSA 49.05, QED 0.35
Compound (SMILES): COc1ccc2c(c1)c(-c1nc3ccccc3n1C(=O)c1cccc(Br)c1)cn2C
InChIKey: FAVVNTXTTRMLKC-UHFFFAOYSA-N
Target: Tubulin (PROTEIN COMPLEX), Bos taurus
UniProt: Q6B856
Assay: Inhibition of bovine brain tubulin polymerization extent after 20 mins by turbidimetrically
Measurement: IC50 = 29200 nM (pChEMBL 4.539999961853027)
Descriptors: MW 460.33, ALogP 5.65, HBA 5, HBD 0, PSA 49.05, QED 0.35
Compound (SMILES): Cn1cc(-c2nc3ccccc3n2C(=O)c2ccccc2)c2cc(Br)ccc21
InChIKey: HVUOGWQSWDFNOM-UHFFFAOYSA-N
Target: Tubulin (PROTEIN COMPLEX), Bos taurus
UniProt: Q6B856
Assay: Inhibition of bovine brain tubulin polymerization extent after 20 mins by turbidimetrically
Measurement: IC50 = 25300 nM (pChEMBL 4.599999904632568)
Descriptors: MW 430.31, ALogP 5.65, HBA 4, HBD 0, PSA 39.82, QED 0.36
Compound (SMILES): COc1ccccc1C(=O)n1c(-c2cn(C)c3ccc(Br)cc23)nc2ccccc21
InChIKey: PVAYFKZMRCVKOO-UHFFFAOYSA-N
Target: Tubulin (PROTEIN COMPLEX), Bos taurus
UniProt: Q6B856
Assay: Inhibition of bovine brain tubulin polymerization extent after 20 mins by turbidimetrically
Measurement: IC50 = 17300 nM (pChEMBL 4.760000228881836)
Descriptors: MW 460.33, ALogP 5.65, HBA 5, HBD 0, PSA 49.05, QED 0.35
Compound (SMILES): COc1cccc(C(=O)n2c(-c3cn(C)c4ccc(Br)cc34)nc3ccccc32)c1
InChIKey: OKENFYASJTYPBS-UHFFFAOYSA-N
Target: Tubulin (PROTEIN COMPLEX), Bos taurus
UniProt: Q6B856
Assay: Inhibition of bovine brain tubulin polymerization extent after 20 mins by turbidimetrically
Measurement: IC50 = 5700 nM (pChEMBL 5.239999771118164)
Descriptors: MW 460.33, ALogP 5.65, HBA 5, HBD 0, PSA 49.05, QED 0.35
Compound (SMILES): COc1ccc(C(=O)n2c(-c3cn(C)c4ccc(Br)cc34)nc3ccccc32)cc1
InChIKey: UNMQYPPGCWRNNT-UHFFFAOYSA-N
Target: Tubulin (PROTEIN COMPLEX), Bos taurus
UniProt: Q6B856
Assay: Inhibition of bovine brain tubulin polymerization extent after 20 mins by turbidimetrically
Measurement: IC50 = 6300 nM (pChEMBL 5.199999809265137)
Descriptors: MW 460.33, ALogP 5.65, HBA 5, HBD 0, PSA 49.05, QED 0.35
Compound (SMILES): COc1ccc(C(=O)n2c(-c3cn(C)c4ccc(Br)cc34)nc3ccccc32)cc1OC
InChIKey: LIORNFPAEBIJIU-UHFFFAOYSA-N
Target: Tubulin (PROTEIN COMPLEX), Bos taurus
UniProt: Q6B856
Assay: Inhibition of bovine brain tubulin polymerization extent after 20 mins by turbidimetrically
Measurement: IC50 = 2400 nM (pChEMBL 5.619999885559082)
Descriptors: MW 490.36, ALogP 5.66, HBA 6, HBD 0, PSA 58.28, QED 0.33
Compound (SMILES): COc1cc(C(=O)n2c(-c3cn(C)c4ccc(Br)cc34)nc3ccccc32)cc(OC)c1OC
InChIKey: HYCUDOCRMKOTBM-UHFFFAOYSA-N
Target: Tubulin (PROTEIN COMPLEX), Bos taurus
UniProt: Q6B856
Assay: Inhibition of bovine brain tubulin polymerization extent after 20 mins by turbidimetrically
Measurement: IC50 = 2000 nM (pChEMBL 5.699999809265137)
Descriptors: MW 520.38, ALogP 5.67, HBA 7, HBD 0, PSA 67.51, QED 0.3
Compound (SMILES): Cn1cc(-c2nc3ccccc3n2C(=O)c2ccccc2Br)c2cc(Br)ccc21
InChIKey: RKBJAIHCBXNEIP-UHFFFAOYSA-N
Target: Tubulin (PROTEIN COMPLEX), Bos taurus
UniProt: Q6B856
Assay: Inhibition of bovine brain tubulin polymerization extent after 20 mins by turbidimetrically
Measurement: IC50 = 45600 nM (pChEMBL 4.340000152587891)
Descriptors: MW 509.2, ALogP 6.41, HBA 4, HBD 0, PSA 39.82, QED 0.28
Compound (SMILES): Cn1cc(-c2nc3ccccc3n2C(=O)c2cccc(Br)c2)c2cc(Br)ccc21
InChIKey: XXDPWOWRUBGOTI-UHFFFAOYSA-N
Target: Tubulin (PROTEIN COMPLEX), Bos taurus
UniProt: Q6B856
Assay: Inhibition of bovine brain tubulin polymerization extent after 20 mins by turbidimetrically
Measurement: IC50 = 39700 nM (pChEMBL 4.400000095367432)
Descriptors: MW 509.2, ALogP 6.41, HBA 4, HBD 0, PSA 39.82, QED 0.28
Compound (SMILES): COc1ccc2[nH]c(SCC(=O)Nc3ccccc3Cl)nc2c1
InChIKey: TZKXQUHVSPBVAK-UHFFFAOYSA-N
Target: PRMT5/MEP50 complex (PROTEIN COMPLEX), Homo sapiens
UniProt: O14744
Assay: Inhibition of recombinant human N-terminal FLAG-tagged PRMT5 (2 to end residues) /human N-terminal His-tagged MEP50 (2 to end residues) expressed in HEK293F cells using histone H4 as substrate preincubated for 15 mins followed by substrate/S-adenosyl methionine addition measured after 60 mins by alpha LISA assay
Measurement: IC50 = 47000 nM (pChEMBL 4.329999923706055)
Descriptors: MW 347.83, ALogP 3.96, HBA 4, HBD 2, PSA 67.01, QED 0.69
Compound (SMILES): Cc1ccccc1NC(=O)N1CC=C(C(=O)NCc2ccc(NC(=O)CC(=O)O)cc2)[C@@H]1C(C)C
InChIKey: QJWYTKOQCOXTNR-DEOSSOPVSA-N
Target: Integrin alpha-4/beta-1 (PROTEIN COMPLEX), Homo sapiens
UniProt: P13612
Assay: Inhibition of human alpha4beta1 integrin expressed in human Jurkat cells assessed as inhibition of cell adhesion to VCAM-1
Measurement: IC50 = 110 nM (pChEMBL 6.960000038146973)
Descriptors: MW 478.55, ALogP 3.52, HBA 4, HBD 4, PSA 127.84, QED 0.43
Compound (SMILES): Cc1ccccc1NC(=O)N1CC=C(C(=O)NCc2ccc(NC(=O)CC(=O)O)cc2)[C@H]1C(C)C
InChIKey: QJWYTKOQCOXTNR-XMMPIXPASA-N
Target: Integrin alpha-4/beta-1 (PROTEIN COMPLEX), Homo sapiens
UniProt: P13612
Assay: Inhibition of human alpha4beta1 integrin expressed in human Jurkat cells assessed as inhibition of cell adhesion to VCAM-1
Measurement: IC50 = 250 nM (pChEMBL 6.599999904632568)
Descriptors: MW 478.55, ALogP 3.52, HBA 4, HBD 4, PSA 127.84, QED 0.43
Compound (SMILES): Cc1ccccc1NC(=O)Nc1ccc(CNC(=O)C2=CCN(C(=O)CC(=O)O)[C@H]2C(C)C)cc1
InChIKey: IYGJJIDDHGARNB-DEOSSOPVSA-N
Target: Integrin alpha-4/beta-1 (PROTEIN COMPLEX), Homo sapiens
UniProt: P13612
Assay: Inhibition of human alpha4beta1 integrin expressed in human Jurkat cells assessed as inhibition of cell adhesion to VCAM-1
Measurement: IC50 > 1000 nM (pChEMBL 6)
Descriptors: MW 478.55, ALogP 3.52, HBA 4, HBD 4, PSA 127.84, QED 0.43
Compound (SMILES): Cc1ccccc1NC(=O)Nc1ccc(CNC(=O)C2=CCN(C(=O)CC(=O)O)[C@@H]2C(C)C)cc1
InChIKey: IYGJJIDDHGARNB-XMMPIXPASA-N
Target: Integrin alpha-4/beta-1 (PROTEIN COMPLEX), Homo sapiens
UniProt: P13612
Assay: Inhibition of human alpha4beta1 integrin expressed in human Jurkat cells assessed as inhibition of cell adhesion to VCAM-1
Measurement: IC50 = 10 nM (pChEMBL 8)
Descriptors: MW 478.55, ALogP 3.52, HBA 4, HBD 4, PSA 127.84, QED 0.43
Compound (SMILES): Cc1ccccc1NC(=O)Nc1ccc(CNC(=O)C2=CCN(C(=O)CC(=O)O)[C@H]2C2CCCCC2)cc1
InChIKey: RRHXZTGJYDPQIM-MHZLTWQESA-N
Target: Integrin alpha-4/beta-1 (PROTEIN COMPLEX), Homo sapiens
UniProt: P13612
Assay: Inhibition of human alpha4beta1 integrin expressed in human Jurkat cells assessed as inhibition of cell adhesion to VCAM-1
Measurement: IC50 > 1000 nM (pChEMBL 6)
Descriptors: MW 518.61, ALogP 4.45, HBA 4, HBD 4, PSA 127.84, QED 0.38
Compound (SMILES): Cc1ccccc1NC(=O)Nc1ccc(CNC(=O)C2=CCN(C(=O)CC(=O)O)[C@@H]2C2CCCCC2)cc1
InChIKey: RRHXZTGJYDPQIM-HHHXNRCGSA-N
Target: Integrin alpha-4/beta-1 (PROTEIN COMPLEX), Homo sapiens
UniProt: P13612
Assay: Inhibition of human alpha4beta1 integrin expressed in human Jurkat cells assessed as inhibition of cell adhesion to VCAM-1
Measurement: IC50 = 62 nM (pChEMBL 7.210000038146973)
Descriptors: MW 518.61, ALogP 4.45, HBA 4, HBD 4, PSA 127.84, QED 0.38
Compound (SMILES): Cc1nc(-c2nc[nH]n2)ccc1-c1cnc2c(n1)N(CC1CCOCC1)C(=O)CN2
InChIKey: GSZOKDIAJHWSJC-UHFFFAOYSA-N
Target: mTORC1 (PROTEIN COMPLEX), Homo sapiens
UniProt: Q8N122
Assay: Inhibition of mTORC1 in human PC3 cells assessed as inhibition of S6 phosphorylation after 1 hr
Measurement: IC50 = 15 nM (pChEMBL 7.820000171661377)
Descriptors: MW 406.45, ALogP 1.82, HBA 8, HBD 2, PSA 121.81, QED 0.67
Compound (SMILES): CO[C@H]1CC[C@@H](CN2C(=O)CNc3ncc(-c4ccc(-c5nc[nH]n5)nc4C)nc32)CC1
InChIKey: KVEPKTYZFVUHKX-GASCZTMLSA-N
Target: mTORC1 (PROTEIN COMPLEX), Homo sapiens
UniProt: Q8N122
Assay: Inhibition of mTORC1 in human PC3 cells assessed as inhibition of p70S6K phosphorylation after 1 hr
Measurement: IC50 = 4 nM (pChEMBL 8.399999618530273)
Descriptors: MW 434.5, ALogP 2.6, HBA 8, HBD 2, PSA 121.81, QED 0.63
Compound (SMILES): CO[C@H]1CC[C@H](CN2C(=O)CNc3ncc(-c4ccc(-c5nc[nH]n5)nc4C)nc32)CC1
InChIKey: KVEPKTYZFVUHKX-SHTZXODSSA-N
Target: mTORC1 (PROTEIN COMPLEX), Homo sapiens
UniProt: Q8N122
Assay: Inhibition of mTORC1 in human PC3 cells assessed as inhibition of p70S6K phosphorylation after 1 hr
Measurement: IC50 = 27 nM (pChEMBL 7.570000171661377)
Descriptors: MW 434.5, ALogP 2.6, HBA 8, HBD 2, PSA 121.81, QED 0.63
Compound (SMILES): CO[C@H]1CC[C@@H](N2CC(=O)Nc3ncc(-c4ccc(-c5nc[nH]n5)nc4C)nc32)CC1
InChIKey: AHTXWEHJMLNLGH-OKILXGFUSA-N
Target: mTORC1 (PROTEIN COMPLEX), Homo sapiens
UniProt: Q8N122
Assay: Inhibition of mTORC1 in human PC3 cells assessed as inhibition of S6 phosphorylation after 1 hr
Measurement: IC50 = 85 nM (pChEMBL 7.070000171661377)
Descriptors: MW 420.48, ALogP 2.35, HBA 8, HBD 2, PSA 121.81, QED 0.66
Compound (SMILES): CO[C@H]1CC[C@H](N2CC(=O)Nc3ncc(-c4ccc(-c5nc[nH]n5)nc4C)nc32)CC1
InChIKey: AHTXWEHJMLNLGH-HDJSIYSDSA-N
Target: mTORC1 (PROTEIN COMPLEX), Homo sapiens
UniProt: Q8N122
Assay: Inhibition of mTORC1 in human PC3 cells assessed as inhibition of S6 phosphorylation after 1 hr
Measurement: IC50 = 203 nM (pChEMBL 6.690000057220459)
Descriptors: MW 420.48, ALogP 2.35, HBA 8, HBD 2, PSA 121.81, QED 0.66
Compound (SMILES): CO[C@H]1CC[C@H](N2C(=O)CNc3ncc(-c4ccc(-c5nc[nH]n5)nc4C)nc32)CC1
InChIKey: DXYGEHPPAYSYLJ-HDJSIYSDSA-N
Target: mTORC1 (PROTEIN COMPLEX), Homo sapiens
UniProt: Q8N122
Assay: Inhibition of mTORC1 in human PC3 cells assessed as inhibition of S6 phosphorylation after 1 hr
Measurement: IC50 = 20 nM (pChEMBL 7.699999809265137)
Descriptors: MW 420.48, ALogP 2.35, HBA 8, HBD 2, PSA 121.81, QED 0.66
Compound (SMILES): Cc1nc(-c2nc[nH]n2)ccc1-c1cnc2c(n1)N([C@H]1CC[C@@H](O)CC1)C(=O)CN2
InChIKey: BIYXBMJPSRSLCH-BETUJISGSA-N
Target: mTORC1 (PROTEIN COMPLEX), Homo sapiens
UniProt: Q8N122
Assay: Inhibition of mTORC1 in human PC3 cells assessed as inhibition of p70S6K phosphorylation after 1 hr
Measurement: IC50 = 6 nM (pChEMBL 8.220000267028809)
Descriptors: MW 406.45, ALogP 1.69, HBA 8, HBD 3, PSA 132.81, QED 0.6
Compound (SMILES): Cc1nc(-c2nc[nH]n2)ccc1-c1cnc2c(n1)N([C@H]1CC[C@H](O)CC1)C(=O)CN2
InChIKey: BIYXBMJPSRSLCH-JOCQHMNTSA-N
Target: mTORC1 (PROTEIN COMPLEX), Homo sapiens
UniProt: Q8N122
Assay: Inhibition of mTORC1 in human PC3 cells assessed as inhibition of p70S6K phosphorylation after 1 hr
Measurement: IC50 = 12 nM (pChEMBL 7.920000076293945)
Descriptors: MW 406.45, ALogP 1.69, HBA 8, HBD 3, PSA 132.81, QED 0.6
Compound (SMILES): Cc1nc(-c2nc[nH]n2)ccc1-c1cnc2c(n1)N(C1CCOCC1)C(=O)CN2
InChIKey: YXNXKPZWTPLWQK-UHFFFAOYSA-N
Target: mTORC1 (PROTEIN COMPLEX), Homo sapiens
UniProt: Q8N122
Assay: Inhibition of mTORC1 in human PC3 cells assessed as inhibition of p70S6K phosphorylation after 1 hr
Measurement: IC50 = 10 nM (pChEMBL 8)
Descriptors: MW 392.42, ALogP 1.57, HBA 8, HBD 2, PSA 121.81, QED 0.69
Compound (SMILES): Cc1nc(-c2nc[nH]n2)ccc1-c1cnc2c(n1)N(C(C)C)C(=O)CN2
InChIKey: PYBNTHVXUJFNOG-UHFFFAOYSA-N
Target: mTORC1 (PROTEIN COMPLEX), Homo sapiens
UniProt: Q8N122
Assay: Inhibition of mTORC1 in human PC3 cells assessed as inhibition of S6 phosphorylation after 1 hr
Measurement: IC50 = 44 nM (pChEMBL 7.360000133514404)
Descriptors: MW 350.39, ALogP 1.8, HBA 7, HBD 2, PSA 112.58, QED 0.74
Compound (SMILES): COCCN1CC(=O)Nc2ncc(-c3ccc(-c4nc[nH]n4)nc3C)nc21
InChIKey: LBQBMEVXMVNFHK-UHFFFAOYSA-N
Target: mTORC1 (PROTEIN COMPLEX), Homo sapiens
UniProt: Q8N122
Assay: Inhibition of mTORC1 in human PC3 cells assessed as inhibition of p70S6K phosphorylation after 1 hr
Measurement: IC50 = 66 nM (pChEMBL 7.179999828338623)
Descriptors: MW 366.39, ALogP 1.04, HBA 8, HBD 2, PSA 121.81, QED 0.69
Compound (SMILES): COCCN1C(=O)CNc2ncc(-c3ccc(-c4nc[nH]n4)nc3C)nc21
InChIKey: NVSABGFUPYOXBC-UHFFFAOYSA-N
Target: mTORC1 (PROTEIN COMPLEX), Homo sapiens
UniProt: Q8N122
Assay: Inhibition of mTORC1 in human PC3 cells assessed as inhibition of p70S6K phosphorylation after 1 hr
Measurement: IC50 = 10 nM (pChEMBL 8)
Descriptors: MW 366.39, ALogP 1.04, HBA 8, HBD 2, PSA 121.81, QED 0.69
Compound (SMILES): CCN1CC(=O)Nc2ncc(-c3ccc(-c4nc[nH]n4)nc3C)nc21
InChIKey: RGGGKLOHVQCLKI-UHFFFAOYSA-N
Target: mTORC1 (PROTEIN COMPLEX), Homo sapiens
UniProt: Q8N122
Assay: Inhibition of mTORC1 in human PC3 cells assessed as inhibition of p70S6K phosphorylation after 1 hr
Measurement: IC50 = 53 nM (pChEMBL 7.28000020980835)
Descriptors: MW 336.36, ALogP 1.41, HBA 7, HBD 2, PSA 112.58, QED 0.74
Compound (SMILES): CCN1C(=O)CNc2ncc(-c3ccc(-c4nc[nH]n4)nc3C)nc21
InChIKey: GMYLVKUGJMYTFB-UHFFFAOYSA-N
Target: mTORC1 (PROTEIN COMPLEX), Homo sapiens
UniProt: Q8N122
Assay: Inhibition of mTORC1 in human PC3 cells assessed as inhibition of S6 phosphorylation after 1 hr
Measurement: IC50 = 23 nM (pChEMBL 7.639999866485596)
Descriptors: MW 336.36, ALogP 1.41, HBA 7, HBD 2, PSA 112.58, QED 0.74
Compound (SMILES): Cc1cc(/C=C2\SC(=O)N(c3ccccc3)C2=O)c(C)n1-c1cccnc1
InChIKey: NCSHZXNGQYSKLR-UNOMPAQXSA-N
Target: TCF4-CTNNB1 complex (PROTEIN COMPLEX), Homo sapiens
UniProt: P35222
Assay: Inhibition of beta-Catenin/TCF4 (unknown origin) protein-protein interaction assessed as inhibition constant
Measurement: Ki = 53510 nM (pChEMBL 4.269999980926514)
Descriptors: MW 375.45, ALogP 4.73, HBA 5, HBD 0, PSA 55.2, QED 0.62
Compound (SMILES): COC(=O)CC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cc(Cl)c(Cl)[nH]1)CC2
InChIKey: UXRKAFKRTDVSDX-ZETCQYMHSA-N
Target: DNA gyrase (PROTEIN COMPLEX), Escherichia coli
UniProt: P0AES6
Assay: Binding affinity to Escherichia coli DNA gyrase subunit B N-terminal 24 kDa domain by SPR assay
Measurement: Kd = 50 nM (pChEMBL 7.300000190734863)
Descriptors: MW 431.3, ALogP 2.57, HBA 6, HBD 3, PSA 113.18, QED 0.5
Compound (SMILES): O=C(O)CC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cc(Cl)c(Cl)[nH]1)CC2
InChIKey: INRFCWJEFIPMRA-LURJTMIESA-N
Target: DNA gyrase (PROTEIN COMPLEX), Escherichia coli
UniProt: P0AES6
Assay: Binding affinity to Escherichia coli DNA gyrase subunit B N-terminal 24 kDa domain by SPR assay
Measurement: Kd = 49 nM (pChEMBL 7.309999942779541)
Descriptors: MW 417.27, ALogP 2.48, HBA 5, HBD 4, PSA 124.18, QED 0.56
Compound (SMILES): O=C(O)CCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cc(Cl)c(Cl)[nH]1)CC2
InChIKey: POTUKOMZFDWDHQ-ZETCQYMHSA-N
Target: DNA gyrase (PROTEIN COMPLEX), Staphylococcus aureus
UniProt: P20831
Assay: Inhibition of Staphylococcus aureus DNA gyrase using relaxed pNO1 plasmid and biotinylated oligonucelotide incubated for 30 mins by fluorescence based DNA super-coiling assay
Measurement: IC50 = 10000 nM (pChEMBL 5)
Descriptors: MW 431.3, ALogP 2.87, HBA 5, HBD 4, PSA 124.18, QED 0.56
Compound (SMILES): CCOC(=O)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cc(Br)c(Br)[nH]1)CC2
InChIKey: KGFYQRFZYURLEH-ZETCQYMHSA-N
Target: DNA gyrase (PROTEIN COMPLEX), Staphylococcus aureus
UniProt: P20831
Assay: Inhibition of Staphylococcus aureus DNA gyrase using relaxed pNO1 plasmid and biotinylated oligonucelotide incubated for 30 mins by fluorescence based DNA super-coiling assay
Measurement: IC50 = 80000 nM (pChEMBL 4.099999904632568)
Descriptors: MW 520.2, ALogP 2.79, HBA 6, HBD 3, PSA 113.18, QED 0.42
Compound (SMILES): COC(=O)CC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cc(Br)c(Br)[nH]1)CC2
InChIKey: QYHWCROWSKRSHP-ZETCQYMHSA-N
Target: DNA gyrase (PROTEIN COMPLEX), Escherichia coli
UniProt: P0AES6
Assay: Binding affinity to Escherichia coli DNA gyrase subunit B N-terminal 24 kDa domain by SPR assay
Measurement: Kd = 72 nM (pChEMBL 7.139999866485596)
Descriptors: MW 520.2, ALogP 2.79, HBA 6, HBD 3, PSA 113.18, QED 0.41
Compound (SMILES): COC(=O)CCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cc(Br)c(Br)[nH]1)CC2
InChIKey: QEXLBJRFQBGWAC-QMMMGPOBSA-N
Target: DNA gyrase (PROTEIN COMPLEX), Escherichia coli
UniProt: P0AES6
Assay: Binding affinity to Escherichia coli DNA gyrase subunit B N-terminal 24 kDa domain by SPR assay
Measurement: Kd = 150 nM (pChEMBL 6.820000171661377)
Descriptors: MW 534.23, ALogP 3.18, HBA 6, HBD 3, PSA 113.18, QED 0.49
Compound (SMILES): O=C(O)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cc(Br)c(Br)[nH]1)CC2
InChIKey: CTHMWOXOLOMKJN-YFKPBYRVSA-N
Target: Topoisomerase IV (PROTEIN COMPLEX), Staphylococcus aureus
UniProt: P0C1U9
Assay: Inhibition of Staphylococcus aureus DNA topoisomerase 4 using relaxed pNO1 plasmid and biotinylated oligonucelotide incubated for 30 mins by fluorescence based DNA relaxation assay
Measurement: IC50 = 78000 nM (pChEMBL 4.110000133514404)
Descriptors: MW 492.15, ALogP 2.31, HBA 5, HBD 4, PSA 124.18, QED 0.49
Compound (SMILES): O=C(O)CC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cc(Br)c(Br)[nH]1)CC2
InChIKey: JDRIHSSGXXPQER-LURJTMIESA-N
Target: DNA gyrase (PROTEIN COMPLEX), Staphylococcus aureus
UniProt: P20831
Assay: Inhibition of Staphylococcus aureus DNA gyrase using relaxed pNO1 plasmid and biotinylated oligonucelotide incubated for 30 mins by fluorescence based DNA super-coiling assay
Measurement: IC50 = 86000 nM (pChEMBL 4.070000171661377)
Descriptors: MW 506.18, ALogP 2.7, HBA 5, HBD 4, PSA 124.18, QED 0.46
Compound (SMILES): O=C(O)CCC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cc(Br)c(Br)[nH]1)CC2
InChIKey: BGZNIXFHOSDNBY-ZETCQYMHSA-N
Target: DNA gyrase (PROTEIN COMPLEX), Escherichia coli
UniProt: P0AES6
Assay: Binding affinity to Escherichia coli DNA gyrase subunit B N-terminal 24 kDa domain by SPR assay
Measurement: Kd = 10 nM (pChEMBL 8)
Descriptors: MW 520.2, ALogP 3.09, HBA 5, HBD 4, PSA 124.18, QED 0.47
Compound (SMILES): CC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cc(Br)c(Br)[nH]1)CC2
InChIKey: XTOBVHZEYFCCQZ-ZETCQYMHSA-N
Target: DNA gyrase (PROTEIN COMPLEX), Staphylococcus aureus
UniProt: P20831
Assay: Inhibition of Staphylococcus aureus DNA gyrase using relaxed pNO1 plasmid and biotinylated oligonucelotide incubated for 30 mins by fluorescence based DNA super-coiling assay
Measurement: IC50 = 26000 nM (pChEMBL 4.579999923706055)
Descriptors: MW 462.17, ALogP 3.24, HBA 4, HBD 3, PSA 86.88, QED 0.66
Compound (SMILES): Cc1ccccc1NC(=O)Nc1ccc(CNC(=O)C2=CCN(C(=O)CC(=O)O)[C@@H]2C(C)C)cc1
InChIKey: IYGJJIDDHGARNB-XMMPIXPASA-N
Target: Integrin alpha-5/beta-1 (PROTEIN COMPLEX), Homo sapiens
UniProt: P08648
Assay: Inhibition of human alpha5beta1 integrin expressed in human K-562 cells assessed as inhibition of cell adhesion to fibronectin
Measurement: IC50 > 1000 nM (pChEMBL 6)
Descriptors: MW 478.55, ALogP 3.52, HBA 4, HBD 4, PSA 127.84, QED 0.43
Compound (SMILES): Cc1ccccc1NC(=O)Nc1ccc(CNC(=O)C2=CCN(C(=O)CC(=O)O)[C@@H]2C2CCCCC2)cc1
InChIKey: RRHXZTGJYDPQIM-HHHXNRCGSA-N
Target: Integrin alpha-5/beta-1 (PROTEIN COMPLEX), Homo sapiens
UniProt: P08648
Assay: Inhibition of human alpha5beta1 integrin expressed in human K-562 cells assessed as inhibition of cell adhesion to fibronectin
Measurement: IC50 > 1000 nM (pChEMBL 6)
Descriptors: MW 518.61, ALogP 4.45, HBA 4, HBD 4, PSA 127.84, QED 0.38
Compound (SMILES): Cc1nc(-c2nc[nH]n2)ccc1-c1cnc2c(n1)N(CC1CCOCC1)C(=O)CN2
InChIKey: GSZOKDIAJHWSJC-UHFFFAOYSA-N
Target: mTORC1 (PROTEIN COMPLEX), Homo sapiens
UniProt: P42345
Assay: Inhibition of mTORC1 in human PC3 cells assessed as inhibition of S6 phosphorylation after 1 hr
Measurement: IC50 = 15 nM (pChEMBL 7.820000171661377)
Descriptors: MW 406.45, ALogP 1.82, HBA 8, HBD 2, PSA 121.81, QED 0.67
Compound (SMILES): CO[C@H]1CC[C@@H](CN2C(=O)CNc3ncc(-c4ccc(-c5nc[nH]n5)nc4C)nc32)CC1
InChIKey: KVEPKTYZFVUHKX-GASCZTMLSA-N
Target: mTORC1 (PROTEIN COMPLEX), Homo sapiens
UniProt: P42345
Assay: Inhibition of mTORC1 in human PC3 cells assessed as inhibition of p70S6K phosphorylation after 1 hr
Measurement: IC50 = 4 nM (pChEMBL 8.399999618530273)
Descriptors: MW 434.5, ALogP 2.6, HBA 8, HBD 2, PSA 121.81, QED 0.63
Compound (SMILES): CO[C@H]1CC[C@H](CN2C(=O)CNc3ncc(-c4ccc(-c5nc[nH]n5)nc4C)nc32)CC1
InChIKey: KVEPKTYZFVUHKX-SHTZXODSSA-N
Target: mTORC1 (PROTEIN COMPLEX), Homo sapiens
UniProt: P42345
Assay: Inhibition of mTORC1 in human PC3 cells assessed as inhibition of p70S6K phosphorylation after 1 hr
Measurement: IC50 = 27 nM (pChEMBL 7.570000171661377)
Descriptors: MW 434.5, ALogP 2.6, HBA 8, HBD 2, PSA 121.81, QED 0.63
Compound (SMILES): CO[C@H]1CC[C@@H](N2CC(=O)Nc3ncc(-c4ccc(-c5nc[nH]n5)nc4C)nc32)CC1
InChIKey: AHTXWEHJMLNLGH-OKILXGFUSA-N
Target: mTORC1 (PROTEIN COMPLEX), Homo sapiens
UniProt: P42345
Assay: Inhibition of mTORC1 in human PC3 cells assessed as inhibition of S6 phosphorylation after 1 hr
Measurement: IC50 = 85 nM (pChEMBL 7.070000171661377)
Descriptors: MW 420.48, ALogP 2.35, HBA 8, HBD 2, PSA 121.81, QED 0.66
Compound (SMILES): CO[C@H]1CC[C@H](N2CC(=O)Nc3ncc(-c4ccc(-c5nc[nH]n5)nc4C)nc32)CC1
InChIKey: AHTXWEHJMLNLGH-HDJSIYSDSA-N
Target: mTORC1 (PROTEIN COMPLEX), Homo sapiens
UniProt: P42345
Assay: Inhibition of mTORC1 in human PC3 cells assessed as inhibition of S6 phosphorylation after 1 hr
Measurement: IC50 = 203 nM (pChEMBL 6.690000057220459)
Descriptors: MW 420.48, ALogP 2.35, HBA 8, HBD 2, PSA 121.81, QED 0.66
Compound (SMILES): CO[C@H]1CC[C@H](N2C(=O)CNc3ncc(-c4ccc(-c5nc[nH]n5)nc4C)nc32)CC1
InChIKey: DXYGEHPPAYSYLJ-HDJSIYSDSA-N
Target: mTORC1 (PROTEIN COMPLEX), Homo sapiens
UniProt: P42345
Assay: Inhibition of mTORC1 in human PC3 cells assessed as inhibition of S6 phosphorylation after 1 hr
Measurement: IC50 = 20 nM (pChEMBL 7.699999809265137)
Descriptors: MW 420.48, ALogP 2.35, HBA 8, HBD 2, PSA 121.81, QED 0.66
Compound (SMILES): Cc1nc(-c2nc[nH]n2)ccc1-c1cnc2c(n1)N([C@H]1CC[C@@H](O)CC1)C(=O)CN2
InChIKey: BIYXBMJPSRSLCH-BETUJISGSA-N
Target: mTORC1 (PROTEIN COMPLEX), Homo sapiens
UniProt: P42345
Assay: Inhibition of mTORC1 in human PC3 cells assessed as inhibition of p70S6K phosphorylation after 1 hr
Measurement: IC50 = 6 nM (pChEMBL 8.220000267028809)
Descriptors: MW 406.45, ALogP 1.69, HBA 8, HBD 3, PSA 132.81, QED 0.6
Compound (SMILES): Cc1nc(-c2nc[nH]n2)ccc1-c1cnc2c(n1)N([C@H]1CC[C@H](O)CC1)C(=O)CN2
InChIKey: BIYXBMJPSRSLCH-JOCQHMNTSA-N
Target: mTORC1 (PROTEIN COMPLEX), Homo sapiens
UniProt: P42345
Assay: Inhibition of mTORC1 in human PC3 cells assessed as inhibition of p70S6K phosphorylation after 1 hr
Measurement: IC50 = 12 nM (pChEMBL 7.920000076293945)
Descriptors: MW 406.45, ALogP 1.69, HBA 8, HBD 3, PSA 132.81, QED 0.6
Compound (SMILES): Cc1nc(-c2nc[nH]n2)ccc1-c1cnc2c(n1)N(C1CCOCC1)C(=O)CN2
InChIKey: YXNXKPZWTPLWQK-UHFFFAOYSA-N
Target: mTORC1 (PROTEIN COMPLEX), Homo sapiens
UniProt: P42345
Assay: Inhibition of mTORC1 in human PC3 cells assessed as inhibition of p70S6K phosphorylation after 1 hr
Measurement: IC50 = 10 nM (pChEMBL 8)
Descriptors: MW 392.42, ALogP 1.57, HBA 8, HBD 2, PSA 121.81, QED 0.69
Compound (SMILES): Cc1nc(-c2nc[nH]n2)ccc1-c1cnc2c(n1)N(C(C)C)C(=O)CN2
InChIKey: PYBNTHVXUJFNOG-UHFFFAOYSA-N
Target: mTORC1 (PROTEIN COMPLEX), Homo sapiens
UniProt: P42345
Assay: Inhibition of mTORC1 in human PC3 cells assessed as inhibition of S6 phosphorylation after 1 hr
Measurement: IC50 = 44 nM (pChEMBL 7.360000133514404)
Descriptors: MW 350.39, ALogP 1.8, HBA 7, HBD 2, PSA 112.58, QED 0.74
Compound (SMILES): COCCN1CC(=O)Nc2ncc(-c3ccc(-c4nc[nH]n4)nc3C)nc21
InChIKey: LBQBMEVXMVNFHK-UHFFFAOYSA-N
Target: mTORC1 (PROTEIN COMPLEX), Homo sapiens
UniProt: P42345
Assay: Inhibition of mTORC1 in human PC3 cells assessed as inhibition of p70S6K phosphorylation after 1 hr
Measurement: IC50 = 66 nM (pChEMBL 7.179999828338623)
Descriptors: MW 366.39, ALogP 1.04, HBA 8, HBD 2, PSA 121.81, QED 0.69
Compound (SMILES): COCCN1C(=O)CNc2ncc(-c3ccc(-c4nc[nH]n4)nc3C)nc21
InChIKey: NVSABGFUPYOXBC-UHFFFAOYSA-N
Target: mTORC1 (PROTEIN COMPLEX), Homo sapiens
UniProt: P42345
Assay: Inhibition of mTORC1 in human PC3 cells assessed as inhibition of p70S6K phosphorylation after 1 hr
Measurement: IC50 = 10 nM (pChEMBL 8)
Descriptors: MW 366.39, ALogP 1.04, HBA 8, HBD 2, PSA 121.81, QED 0.69
Compound (SMILES): CCN1CC(=O)Nc2ncc(-c3ccc(-c4nc[nH]n4)nc3C)nc21
InChIKey: RGGGKLOHVQCLKI-UHFFFAOYSA-N
Target: mTORC1 (PROTEIN COMPLEX), Homo sapiens
UniProt: P42345
Assay: Inhibition of mTORC1 in human PC3 cells assessed as inhibition of p70S6K phosphorylation after 1 hr
Measurement: IC50 = 53 nM (pChEMBL 7.28000020980835)
Descriptors: MW 336.36, ALogP 1.41, HBA 7, HBD 2, PSA 112.58, QED 0.74
Compound (SMILES): CCN1C(=O)CNc2ncc(-c3ccc(-c4nc[nH]n4)nc3C)nc21
InChIKey: GMYLVKUGJMYTFB-UHFFFAOYSA-N
Target: mTORC1 (PROTEIN COMPLEX), Homo sapiens
UniProt: P42345
Assay: Inhibition of mTORC1 in human PC3 cells assessed as inhibition of S6 phosphorylation after 1 hr
Measurement: IC50 = 23 nM (pChEMBL 7.639999866485596)
Descriptors: MW 336.36, ALogP 1.41, HBA 7, HBD 2, PSA 112.58, QED 0.74
Compound (SMILES): CC[C@H](C)C(=O)N1CCC(NC(=O)Nc2ccc(OC(F)(F)F)cc2)CC1
InChIKey: JJTRXUZGZKAXQD-LBPRGKRZSA-N
Target: Bifunctional epoxide hydrolase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P34913
Assay: Inhibition of human recombinant soluble epoxide hydrolase by FRET-based ACPU displacement assay
Measurement: Ki = 0.19 nM (pChEMBL 9.720000267028809)
Descriptors: MW 387.4, ALogP 3.74, HBA 3, HBD 2, PSA 70.67, QED 0.81
Compound (SMILES): CC[C@H](C)C(=O)N1CCC(NC(=O)Cc2ccc(OC(F)(F)F)cc2)CC1
InChIKey: PHLWEHOQIJUBCP-ZDUSSCGKSA-N
Target: Bifunctional epoxide hydrolase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P34913
Assay: Inhibition of human recombinant soluble epoxide hydrolase by FRET-based ACPU displacement assay
Measurement: Ki = 111 nM (pChEMBL 6.960000038146973)
Descriptors: MW 386.41, ALogP 3.28, HBA 3, HBD 1, PSA 58.64, QED 0.82
Compound (SMILES): CC[C@H](C)C(=O)N1CCC(CC(=O)Nc2ccc(OC(F)(F)F)cc2)CC1
InChIKey: FYHLDHDZFQKNFY-ZDUSSCGKSA-N
Target: Bifunctional epoxide hydrolase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P34913
Assay: Inhibition of human recombinant soluble epoxide hydrolase by FRET-based ACPU displacement assay
Measurement: Ki = 11.2 nM (pChEMBL 7.949999809265137)
Descriptors: MW 386.41, ALogP 4.2, HBA 3, HBD 1, PSA 58.64, QED 0.8
Compound (SMILES): O=C(Nc1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1)NC1CCN(C(=O)CC(F)(F)F)CC1
InChIKey: IFGICALNZMQBET-UHFFFAOYSA-N
Target: Bifunctional epoxide hydrolase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P34913
Assay: Inhibition of human recombinant soluble epoxide hydrolase by FRET-based ACPU displacement assay
Measurement: Ki < 0.02 nM (pChEMBL 10.699000358581543)
Descriptors: MW 497.33, ALogP 5.04, HBA 2, HBD 2, PSA 61.44, QED 0.57
Compound (SMILES): CCS(=O)(=O)N1CCC(NC(=O)Nc2ccc(C(F)(F)F)cc2)CC1
InChIKey: VSERHNDOJAMGCY-UHFFFAOYSA-N
Target: Bifunctional epoxide hydrolase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P34913
Assay: Inhibition of human recombinant soluble epoxide hydrolase by FRET-based ACPU displacement assay
Measurement: Ki = 1.74 nM (pChEMBL 8.760000228881836)
Descriptors: MW 379.4, ALogP 2.64, HBA 3, HBD 2, PSA 78.51, QED 0.84
Compound (SMILES): CCCS(=O)(=O)N1CCC(NC(=O)Nc2ccc(C(F)(F)F)cc2)CC1
InChIKey: XUUZAYUQMAIITA-UHFFFAOYSA-N
Target: Bifunctional epoxide hydrolase 2 (SINGLE PROTEIN), Mus musculus
UniProt: P34914
Assay: FA: fluoresence competitive assay.
Measurement: IC50 = 6 nM (pChEMBL 8.220000267028809)
Descriptors: MW 393.43, ALogP 3.03, HBA 3, HBD 2, PSA 78.51, QED 0.81
Compound (SMILES): O=C(Nc1ccc(C(F)(F)F)cc1)NC1CCN(S(=O)(=O)C2CC2)CC1
InChIKey: FNQSAMVQHNDWBC-UHFFFAOYSA-N
Target: Bifunctional epoxide hydrolase 2 (SINGLE PROTEIN), Mus musculus
UniProt: P34914
Assay: FA: fluoresence competitive assay.
Measurement: IC50 = 9.3 nM (pChEMBL 8.029999732971191)
Descriptors: MW 391.42, ALogP 2.78, HBA 3, HBD 2, PSA 78.51, QED 0.83
Compound (SMILES): O=C(Nc1ccc(C(F)(F)F)cc1)NC1CCN(S(=O)(=O)CC(F)(F)F)CC1
InChIKey: RASYDBASNOGXIM-UHFFFAOYSA-N
Target: Bifunctional epoxide hydrolase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P34913
Assay: Inhibition of human recombinant soluble epoxide hydrolase by FRET-based ACPU displacement assay
Measurement: Ki = 1.79 nM (pChEMBL 8.75)
Descriptors: MW 433.37, ALogP 3.18, HBA 3, HBD 2, PSA 78.51, QED 0.72
Compound (SMILES): CCCCS(=O)(=O)N1CCC(NC(=O)Nc2ccc(C(F)(F)F)cc2)CC1
InChIKey: QYIZKIYWRQWALF-UHFFFAOYSA-N
Target: Bifunctional epoxide hydrolase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P34913
Assay: Inhibition of human recombinant soluble epoxide hydrolase by FRET-based ACPU displacement assay
Measurement: Ki = 0.98 nM (pChEMBL 9.010000228881836)
Descriptors: MW 407.46, ALogP 3.42, HBA 3, HBD 2, PSA 78.51, QED 0.76
Compound (SMILES): CCCCS(=O)(=O)N1CCC(NC(=O)Nc2ccc(OC(F)(F)F)cc2)CC1
InChIKey: PKBQCKUAWUJAPW-UHFFFAOYSA-N
Target: Bifunctional epoxide hydrolase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P34913
Assay: Inhibition of human recombinant soluble epoxide hydrolase by FRET-based ACPU displacement assay
Measurement: Ki = 0.44 nM (pChEMBL 9.359999656677246)
Descriptors: MW 423.46, ALogP 3.3, HBA 4, HBD 2, PSA 87.74, QED 0.7
Compound (SMILES): CC(C)Oc1ccc(-n2cc(CCc3ccccc3)c3cc(CCC(=O)O)ccc32)cc1
InChIKey: ATHUICZHXAGSOX-UHFFFAOYSA-N
Target: Cytosolic phospholipase A2 (SINGLE PROTEIN), Homo sapiens
UniProt: P47712
Assay: Inhibition of cPLA2alpha isolated from human U937 cell cytoplasm assessed as suppression of [14C]arachidonic acid release from L-alpha-1-palmitoyl-2-[14C]arachidonyl-phosphatidylcholine liposomes substrate by scintillation counting
Measurement: IC50 = 7 nM (pChEMBL 8.149999618530273)
Descriptors: MW 427.54, ALogP 6.22, HBA 3, HBD 1, PSA 51.46, QED 0.34
Compound (SMILES): NC(CO)(CO)CO.O=C(O)CCc1ccc2c(c1)c(CCc1ccccc1)cn2-c1ccc(OCCO)cc1
InChIKey: BYFCJVOGWPITQO-UHFFFAOYSA-N
Target: Cytosolic phospholipase A2 (SINGLE PROTEIN), Homo sapiens
UniProt: P47712
Assay: Inhibition of cPLA2alpha isolated from human U937 cell cytoplasm assessed as suppression of [14C]arachidonic acid release from L-alpha-1-palmitoyl-2-[14C]arachidonyl-phosphatidylcholine liposomes substrate by scintillation counting
Measurement: IC50 = 14 nM (pChEMBL 7.849999904632568)
Descriptors: MW 429.52, ALogP 4.8, HBA 4, HBD 2, PSA 71.69, QED 0.38
Compound (SMILES): NC(CO)(CO)CO.O=C(O)CCc1ccc2c(c1)c(CCc1ccccc1)cn2-c1ccc(OC(F)F)cc1
InChIKey: GFRXLJPYSHKZMK-UHFFFAOYSA-N
Target: Cytosolic phospholipase A2 (SINGLE PROTEIN), Homo sapiens
UniProt: P47712
Assay: Inhibition of cPLA2alpha isolated from human U937 cell cytoplasm assessed as suppression of [14C]arachidonic acid release from L-alpha-1-palmitoyl-2-[14C]arachidonyl-phosphatidylcholine liposomes substrate by scintillation counting
Measurement: IC50 = 28 nM (pChEMBL 7.550000190734863)
Descriptors: MW 435.47, ALogP 6.03, HBA 3, HBD 1, PSA 51.46, QED 0.35
Compound (SMILES): NC(CO)(CO)CO.O=C(O)CCc1ccc2c(c1)c(CCc1ccccc1)cn2-c1ccc(OC(F)(F)F)cc1
InChIKey: GFIUGJBAKYOTJJ-UHFFFAOYSA-N
Target: Cytosolic phospholipase A2 (SINGLE PROTEIN), Homo sapiens
UniProt: P47712
Assay: Inhibition of cPLA2alpha isolated from human U937 cell cytoplasm assessed as suppression of [14C]arachidonic acid release from L-alpha-1-palmitoyl-2-[14C]arachidonyl-phosphatidylcholine liposomes substrate by scintillation counting
Measurement: IC50 = 140 nM (pChEMBL 6.849999904632568)
Descriptors: MW 453.46, ALogP 6.33, HBA 3, HBD 1, PSA 51.46, QED 0.34
Compound (SMILES): NC(CO)(CO)CO.O=C(O)CCc1ccc2c(c1)c(CCc1ccccc1)cn2-c1ccc(Oc2ccccc2)cc1
InChIKey: MBPXGBINIINSEU-UHFFFAOYSA-N
Target: Cytosolic phospholipase A2 (SINGLE PROTEIN), Homo sapiens
UniProt: P47712
Assay: Inhibition of cPLA2alpha isolated from human U937 cell cytoplasm assessed as suppression of [14C]arachidonic acid release from L-alpha-1-palmitoyl-2-[14C]arachidonyl-phosphatidylcholine liposomes substrate by scintillation counting
Measurement: IC50 = 20 nM (pChEMBL 7.699999809265137)
Descriptors: MW 461.56, ALogP 7.23, HBA 3, HBD 1, PSA 51.46, QED 0.25
Compound (SMILES): Cc1ccc(-n2cc(CCc3ccccc3)c3cc(CCC(=O)O)ccc32)cc1.NC(CO)(CO)CO
InChIKey: PVNIGIMFRKDEPG-UHFFFAOYSA-N
Target: Cytosolic phospholipase A2 (SINGLE PROTEIN), Homo sapiens
UniProt: P47712
Assay: Inhibition of cPLA2alpha isolated from human U937 cell cytoplasm assessed as suppression of [14C]arachidonic acid release from L-alpha-1-palmitoyl-2-[14C]arachidonyl-phosphatidylcholine liposomes substrate by scintillation counting
Measurement: IC50 = 77 nM (pChEMBL 7.110000133514404)
Descriptors: MW 383.49, ALogP 5.74, HBA 2, HBD 1, PSA 42.23, QED 0.44
Compound (SMILES): NC(CO)(CO)CO.O=C(O)CCc1ccc2c(c1)c(CCc1ccccc1)cn2-c1ccc(Cl)cc1
InChIKey: UHACFLJNOJXIFC-UHFFFAOYSA-N
Target: Cytosolic phospholipase A2 (SINGLE PROTEIN), Homo sapiens
UniProt: P47712
Assay: Inhibition of cPLA2alpha isolated from human U937 cell cytoplasm assessed as suppression of [14C]arachidonic acid release from L-alpha-1-palmitoyl-2-[14C]arachidonyl-phosphatidylcholine liposomes substrate by scintillation counting
Measurement: IC50 = 36 nM (pChEMBL 7.440000057220459)
Descriptors: MW 403.91, ALogP 6.09, HBA 2, HBD 1, PSA 42.23, QED 0.41
Compound (SMILES): O=C(O)CCc1ccc2c(c1)c(CCc1ccccc1)cn2-c1ccc(F)cc1
InChIKey: OFJSECVXURTWIF-UHFFFAOYSA-N
Target: Cytosolic phospholipase A2 (SINGLE PROTEIN), Homo sapiens
UniProt: P47712
Assay: Inhibition of cPLA2alpha isolated from human U937 cell cytoplasm assessed as suppression of [14C]arachidonic acid release from L-alpha-1-palmitoyl-2-[14C]arachidonyl-phosphatidylcholine liposomes substrate by scintillation counting
Measurement: IC50 = 58 nM (pChEMBL 7.239999771118164)
Descriptors: MW 387.45, ALogP 5.57, HBA 2, HBD 1, PSA 42.23, QED 0.45
Compound (SMILES): O=C(O)/C=C/c1ccc(Sc2ccc(Cl)cc2)c([N+](=O)[O-])c1
InChIKey: SMDXKQQBZBHRFO-KRXBUXKQSA-N
Target: Cytosolic phospholipase A2 (SINGLE PROTEIN), Homo sapiens
UniProt: P47712
Assay: Inhibition of cPLA2alpha isolated from human U937 cell cytoplasm assessed as suppression of [14C]arachidonic acid release from L-alpha-1-palmitoyl-2-[14C]arachidonyl-phosphatidylcholine liposomes substrate by scintillation counting
Measurement: IC50 = 1000 nM (pChEMBL 6)
Descriptors: MW 335.77, ALogP 4.5, HBA 4, HBD 1, PSA 80.44, QED 0.49
Compound (SMILES): O=C(O)/C=C/c1ccc2c(ccn2-c2ccccc2)c1
InChIKey: KJHLVAFWVQMVDR-VQHVLOKHSA-N
Target: Cytosolic phospholipase A2 (SINGLE PROTEIN), Homo sapiens
UniProt: P47712
Assay: Inhibition of cPLA2alpha isolated from human U937 cell cytoplasm assessed as suppression of [14C]arachidonic acid release from L-alpha-1-palmitoyl-2-[14C]arachidonyl-phosphatidylcholine liposomes substrate by scintillation counting
Measurement: IC50 = 10000 nM (pChEMBL 5)
Descriptors: MW 263.3, ALogP 3.73, HBA 2, HBD 1, PSA 42.23, QED 0.73
Compound (SMILES): CO[C@H]1/C=C\C=C(/C)C(=O)NC2=CC(=O)C(NCc3ccc(N)cc3)=C(C[C@@H](C)C[C@H](OC)[C@H](O)[C@@H](C)/C=C(\C)[C@@H]1OC(N)=O)C2=O
InChIKey: UKNPCNBFXIRHOG-YKNAKQMYSA-N
Target: Heat shock protein HSP 90-alpha (SINGLE PROTEIN), Homo sapiens
UniProt: P07900
Assay: Displacement of GA-FITC from human recombinant HSP90alpha ATP-binding site by fluorescence polarization assay
Measurement: IC50 = 890 nM (pChEMBL 6.050000190734863)
Descriptors: MW 650.77, ALogP 3.13, HBA 10, HBD 5, PSA 192.3, QED 0.17
Compound (SMILES): CO[C@H]1/C=C\C=C(/C)C(=O)NC2=CC(=O)C(NCc3ccc(Cl)nc3)=C(C[C@@H](C)C[C@H](OC)[C@H](O)[C@@H](C)/C=C(\C)[C@@H]1OC(N)=O)C2=O
InChIKey: UMFKMYFYBXAJQN-FAMVWQPRSA-N
Target: Heat shock protein HSP 90-alpha (SINGLE PROTEIN), Homo sapiens
UniProt: P07900
Assay: Displacement of GA-FITC from human recombinant HSP90alpha ATP-binding site by fluorescence polarization assay
Measurement: IC50 = 1040 nM (pChEMBL 5.980000019073486)
Descriptors: MW 671.19, ALogP 3.6, HBA 10, HBD 4, PSA 179.17, QED 0.2
Compound (SMILES): CO[C@H]1/C=C\C=C(/C)C(=O)NC2=CC(=O)C(NCc3ccc(C(F)(F)F)nc3)=C(C[C@@H](C)C[C@H](OC)[C@H](O)[C@@H](C)/C=C(\C)[C@@H]1OC(N)=O)C2=O
InChIKey: IVNIBNOGVFIMRE-FAMVWQPRSA-N
Target: Heat shock protein HSP 90-alpha (SINGLE PROTEIN), Homo sapiens
UniProt: P07900
Assay: Displacement of GA-FITC from human recombinant HSP90alpha ATP-binding site by fluorescence polarization assay
Measurement: IC50 = 430 nM (pChEMBL 6.369999885559082)
Descriptors: MW 704.74, ALogP 3.97, HBA 10, HBD 4, PSA 179.17, QED 0.25
Compound (SMILES): NNc1nc(-c2cccs2)nc2scc(-c3cccs3)c12
InChIKey: QJXRWYSSYVNBQB-UHFFFAOYSA-N
Target: Receptor-type tyrosine-protein kinase FLT3 (SINGLE PROTEIN), Homo sapiens
UniProt: P36888
Assay: Inhibition of human FLT3 using 10 uM ATP
Measurement: IC50 = 470 nM (pChEMBL 6.329999923706055)
Descriptors: MW 330.46, ALogP 4.43, HBA 7, HBD 2, PSA 63.83, QED 0.43
Compound (SMILES): CC1=CC(=O)N(Nc2nc(-c3ccc(C)s3)nc3scc(-c4cccs4)c23)C1=O
InChIKey: MJFOUANUNCRXIH-UHFFFAOYSA-N
Target: Receptor-type tyrosine-protein kinase FLT3 (SINGLE PROTEIN), Homo sapiens
UniProt: P36888
Assay: Inhibition of human FLT3 using 10 uM ATP
Measurement: IC50 = 611 nM (pChEMBL 6.210000038146973)
Descriptors: MW 438.56, ALogP 5.1, HBA 8, HBD 1, PSA 75.19, QED 0.45
Compound (SMILES): CCCCS(=O)(=O)Nc1cc(-c2cnc3nc(N)nc(C)c3c2)cnc1OC
InChIKey: HTRHRBUTSJIGLR-UHFFFAOYSA-N
Target: Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (SINGLE PROTEIN), Homo sapiens
UniProt: P42336
Assay: Inhibition of PI3Kalpha (unknown origin) using PIP2/PS as substrate preincubated for 15 mins before substrate addition by luciferase-based luminescence assay
Measurement: IC50 = 47.5 nM (pChEMBL 7.320000171661377)
Descriptors: MW 402.48, ALogP 2.53, HBA 8, HBD 2, PSA 132.98, QED 0.62
Compound (SMILES): COc1ncc(-c2cnc3nc(N)nc(C)c3c2)cc1NS(=O)(=O)C1CC1
InChIKey: MGZZCPLVHSEOHM-UHFFFAOYSA-N
Target: Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (SINGLE PROTEIN), Homo sapiens
UniProt: P42336
Assay: Inhibition of PI3Kalpha (unknown origin) using PIP2/PS as substrate preincubated for 15 mins before substrate addition by luciferase-based luminescence assay
Measurement: IC50 = 55.6 nM (pChEMBL 7.25)
Descriptors: MW 386.44, ALogP 1.89, HBA 8, HBD 2, PSA 132.98, QED 0.68
Compound (SMILES): COc1ccc(-c2cnc3nc(N)nc(C)c3c2)cn1
InChIKey: YZVBJOFCPNVIRL-UHFFFAOYSA-N
Target: Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (SINGLE PROTEIN), Homo sapiens
UniProt: P42336
Assay: Inhibition of PI3Kalpha (unknown origin) using PIP2/PS as substrate preincubated for 15 mins before substrate addition by luciferase-based luminescence assay
Measurement: IC50 = 414 nM (pChEMBL 6.380000114440918)
Descriptors: MW 267.29, ALogP 1.99, HBA 6, HBD 1, PSA 86.81, QED 0.76
Compound (SMILES): COc1ncc(-c2cnc3nc(N)nc(C)c3c2)cc1F
InChIKey: VVGFOQLZSIGVJU-UHFFFAOYSA-N
Target: Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (SINGLE PROTEIN), Homo sapiens
UniProt: P42336
Assay: Inhibition of PI3Kalpha (unknown origin) using PIP2/PS as substrate preincubated for 15 mins before substrate addition by luciferase-based luminescence assay
Measurement: IC50 = 117 nM (pChEMBL 6.929999828338623)
Descriptors: MW 285.28, ALogP 2.13, HBA 6, HBD 1, PSA 86.81, QED 0.78
Compound (SMILES): COc1ncc(-c2cnc3nc(N)nc(C)c3c2)cc1N
InChIKey: RJCRYRRIXVNGMS-UHFFFAOYSA-N
Target: Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (SINGLE PROTEIN), Homo sapiens
UniProt: P42336
Assay: Inhibition of PI3Kalpha (unknown origin) using PIP2/PS as substrate preincubated for 15 mins before substrate addition by luciferase-based luminescence assay
Measurement: IC50 = 632 nM (pChEMBL 6.199999809265137)
Descriptors: MW 282.31, ALogP 1.57, HBA 7, HBD 2, PSA 112.83, QED 0.73
Compound (SMILES): COc1ncc(-c2cnc3nc(N)nc(C)c3c2)cc1NC(=O)C(F)(F)F
InChIKey: YOASAGMPYNULEP-UHFFFAOYSA-N
Target: Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (SINGLE PROTEIN), Homo sapiens
UniProt: P42336
Assay: Inhibition of PI3Kalpha (unknown origin) using PIP2/PS as substrate preincubated for 15 mins before substrate addition by luciferase-based luminescence assay
Measurement: IC50 > 1000 nM (pChEMBL 6)
Descriptors: MW 378.31, ALogP 2.49, HBA 7, HBD 2, PSA 115.91, QED 0.72
Compound (SMILES): COc1ncc(-c2cnc3nc(N)nc(C)c3c2)cc1NS(=O)(=O)c1ccc(Cl)s1
InChIKey: BMZYRRJVSQNPFA-UHFFFAOYSA-N
Target: Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (SINGLE PROTEIN), Homo sapiens
UniProt: P42336
Assay: Inhibition of PI3Kalpha (unknown origin) using PIP2/PS as substrate preincubated for 15 mins before substrate addition by luciferase-based luminescence assay
Measurement: IC50 = 6.87 nM (pChEMBL 8.15999984741211)
Descriptors: MW 462.94, ALogP 3.5, HBA 9, HBD 2, PSA 132.98, QED 0.46
Compound (SMILES): COc1ncc(-c2cnc3nc(N)nc(C)c3c2)cc1NS(=O)(=O)c1cccnc1
InChIKey: QLRYXCGFDGTCHD-UHFFFAOYSA-N
Target: Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (SINGLE PROTEIN), Homo sapiens
UniProt: P42336
Assay: Inhibition of PI3Kalpha (unknown origin) using PIP2/PS as substrate preincubated for 15 mins before substrate addition by luciferase-based luminescence assay
Measurement: IC50 = 7.82 nM (pChEMBL 8.109999656677246)
Descriptors: MW 423.46, ALogP 2.18, HBA 9, HBD 2, PSA 145.87, QED 0.49
Compound (SMILES): O=C(O)C(=NNc1ccc(Cl)cc1)C(=O)O
InChIKey: WDAIWFJRXVKXNS-UHFFFAOYSA-N
Target: Human immunodeficiency virus type 1 reverse transcriptase (SINGLE PROTEIN), Human immunodeficiency virus 1
UniProt: Q72547
Assay: Inhibition of wild type HIV1 reverse transcriptase assessed as inhibition of DNA primer extension using [8-3H(N)]-dATP by scintillation proximity assay
Measurement: IC50 = 1500 nM (pChEMBL 5.820000171661377)
Descriptors: MW 242.62, ALogP 1.28, HBA 4, HBD 3, PSA 98.99, QED 0.42
Compound (SMILES): O=P(O)(O)C(Nc1ncnc2ncccc12)P(=O)(O)O
InChIKey: VCDOIEHDCKLDBI-UHFFFAOYSA-N
Target: Human immunodeficiency virus type 1 reverse transcriptase (SINGLE PROTEIN), Human immunodeficiency virus 1
UniProt: Q72547
Assay: Inhibition of wild type HIV1 reverse transcriptase assessed as inhibition of DNA primer extension using [8-3H(N)]-dATP by scintillation proximity assay
Measurement: IC50 > 50000 nM (pChEMBL 4.301000118255615)
Descriptors: MW 320.14, ALogP 0.08, HBA 6, HBD 5, PSA 165.76, QED 0.49
Compound (SMILES): CSc1ccc2c(NC(P(=O)(O)O)P(=O)(O)O)ncnc2n1
InChIKey: DJMKQLORXOCVEQ-UHFFFAOYSA-N
Target: Human immunodeficiency virus type 1 reverse transcriptase (SINGLE PROTEIN), Human immunodeficiency virus 1
UniProt: Q72547
Assay: Inhibition of wild type HIV1 reverse transcriptase assessed as inhibition of DNA primer extension using [8-3H(N)]-dATP by scintillation proximity assay
Measurement: IC50 > 50000 nM (pChEMBL 4.301000118255615)
Descriptors: MW 366.23, ALogP 0.8, HBA 7, HBD 5, PSA 165.76, QED 0.38
Compound (SMILES): CC(C)Oc1ccc(-c2cnc3ncnc(NC(P(=O)(O)O)P(=O)(O)O)c3c2)cc1
InChIKey: GYOMTVBLGKRQHJ-UHFFFAOYSA-N
Target: Human immunodeficiency virus type 1 reverse transcriptase (SINGLE PROTEIN), Human immunodeficiency virus 1
UniProt: Q72547
Assay: Inhibition of wild type HIV1 reverse transcriptase assessed as inhibition of DNA primer extension using [8-3H(N)]-dATP by scintillation proximity assay
Measurement: IC50 = 10000 nM (pChEMBL 5)
Descriptors: MW 454.32, ALogP 2.53, HBA 7, HBD 5, PSA 174.99, QED 0.33
Compound (SMILES): CSc1nc2ncnc(NC(P(=O)(O)O)P(=O)(O)O)c2cc1-c1ccc(OC(C)C)cc1
InChIKey: BOUNGEFZSURKKX-UHFFFAOYSA-N
Target: Human immunodeficiency virus type 1 reverse transcriptase (SINGLE PROTEIN), Human immunodeficiency virus 1
UniProt: Q72547
Assay: Inhibition of wild type HIV1 reverse transcriptase assessed as inhibition of DNA primer extension using [8-3H(N)]-dATP by scintillation proximity assay
Measurement: IC50 = 1800 nM (pChEMBL 5.75)
Descriptors: MW 500.41, ALogP 3.25, HBA 8, HBD 5, PSA 174.99, QED 0.23
Compound (SMILES): O=P(O)(O)C(CNc1ncnc2ncccc12)P(=O)(O)O
InChIKey: XFSUYQGTOPMESG-UHFFFAOYSA-N
Target: Human immunodeficiency virus type 1 reverse transcriptase (SINGLE PROTEIN), Human immunodeficiency virus 1
UniProt: Q72547
Assay: Inhibition of wild type HIV1 reverse transcriptase assessed as inhibition of DNA primer extension using [8-3H(N)]-dATP by scintillation proximity assay
Measurement: IC50 > 50000 nM (pChEMBL 4.301000118255615)
Descriptors: MW 334.17, ALogP 0.12, HBA 6, HBD 5, PSA 165.76, QED 0.47
Compound (SMILES): O=P(O)(O)C(CNc1ncnc2ncc(-c3ccsc3)cc12)P(=O)(O)O
InChIKey: NPRTWKWGBNIIBY-UHFFFAOYSA-N
Target: Human immunodeficiency virus type 1 reverse transcriptase (SINGLE PROTEIN), Human immunodeficiency virus 1
UniProt: Q72547
Assay: Inhibition of wild type HIV1 reverse transcriptase assessed as inhibition of DNA primer extension using [8-3H(N)]-dATP by scintillation proximity assay
Measurement: IC50 = 9000 nM (pChEMBL 5.050000190734863)
Descriptors: MW 416.29, ALogP 1.85, HBA 7, HBD 5, PSA 165.76, QED 0.37
Compound (SMILES): CSc1nc2ncnc(NCC(P(=O)(O)O)P(=O)(O)O)c2cc1-c1ccccc1
InChIKey: CHHCOXBOQMCBLF-UHFFFAOYSA-N
Target: Human immunodeficiency virus type 1 reverse transcriptase (SINGLE PROTEIN), Human immunodeficiency virus 1
UniProt: Q72547
Assay: Inhibition of wild type HIV1 reverse transcriptase assessed as inhibition of DNA primer extension using [8-3H(N)]-dATP by scintillation proximity assay
Measurement: IC50 = 1100 nM (pChEMBL 5.960000038146973)
Descriptors: MW 456.36, ALogP 2.51, HBA 7, HBD 5, PSA 165.76, QED 0.26
Compound (SMILES): COc1cccc(-c2cnc3ncnc(NCC(P(=O)(O)O)P(=O)(O)O)c3c2)c1
InChIKey: VEQJWCFDGSJIKY-UHFFFAOYSA-N
Target: Human immunodeficiency virus type 1 reverse transcriptase (SINGLE PROTEIN), Human immunodeficiency virus 1
UniProt: Q72547
Assay: Inhibition of wild type HIV1 reverse transcriptase assessed as inhibition of DNA primer extension using [8-3H(N)]-dATP by scintillation proximity assay
Measurement: IC50 = 20000 nM (pChEMBL 4.699999809265137)
Descriptors: MW 440.29, ALogP 1.79, HBA 7, HBD 5, PSA 174.99, QED 0.34
Compound (SMILES): COc1cccc(-c2cc3c(NCC(P(=O)(O)O)P(=O)(O)O)ncnc3nc2SC)c1
InChIKey: SYTOUTINFSMPIW-UHFFFAOYSA-N
Target: Human immunodeficiency virus type 1 reverse transcriptase (SINGLE PROTEIN), Human immunodeficiency virus 1
UniProt: Q72547
Assay: Inhibition of wild type HIV1 reverse transcriptase assessed as inhibition of DNA primer extension using [8-3H(N)]-dATP by scintillation proximity assay
Measurement: IC50 = 2400 nM (pChEMBL 5.619999885559082)
Descriptors: MW 486.38, ALogP 2.52, HBA 8, HBD 5, PSA 174.99, QED 0.23
Compound (SMILES): CSc1nc2ncnc(NCC(P(=O)(O)O)P(=O)(O)O)c2cc1-c1ccc(OC(C)C)cc1
InChIKey: JSUAGZOAAZWZFK-UHFFFAOYSA-N
Target: Human immunodeficiency virus type 1 reverse transcriptase (SINGLE PROTEIN), Human immunodeficiency virus 1
UniProt: Q72547
Assay: Inhibition of wild type HIV1 reverse transcriptase assessed as inhibition of DNA primer extension using [8-3H(N)]-dATP by scintillation proximity assay
Measurement: IC50 = 7100 nM (pChEMBL 5.150000095367432)
Descriptors: MW 514.44, ALogP 3.29, HBA 8, HBD 5, PSA 174.99, QED 0.21
Compound (SMILES): CSc1nc2ncnc(NCC(P(=O)(O)O)P(=O)(O)O)c2cc1-c1ccsc1
InChIKey: YHSSIAKREKEUGQ-UHFFFAOYSA-N
Target: Human immunodeficiency virus type 1 reverse transcriptase (SINGLE PROTEIN), Human immunodeficiency virus 1
UniProt: Q72547
Assay: Inhibition of wild type HIV1 reverse transcriptase assessed as inhibition of DNA primer extension using [8-3H(N)]-dATP by scintillation proximity assay
Measurement: IC50 = 8300 nM (pChEMBL 5.079999923706055)
Descriptors: MW 462.39, ALogP 2.57, HBA 8, HBD 5, PSA 165.76, QED 0.26
Compound (SMILES): N#CC1=C(N)N(c2cccnc2)C2=C(C(=O)CCC2)C1c1cc2ccccc2n2nnnc12
InChIKey: JFTJIDLBLONTOH-UHFFFAOYSA-N
Target: Receptor tyrosine-protein kinase erbB-2 (SINGLE PROTEIN), Homo sapiens
UniProt: P04626
Assay: Inhibition of histidine-tagged recombinant HER2 (unknown origin) expressed in Sf9 cells assessed as reduction in enzyme autophosphorylation by DELFIA/time-resolved fluorometry
Measurement: IC50 = 5200 nM (pChEMBL 5.28000020980835)
Descriptors: MW 434.46, ALogP 2.98, HBA 9, HBD 1, PSA 126.09, QED 0.51
Compound (SMILES): C/C=C/C[C@@H](C)[C@@H](O)[C@H]1C(=O)N[C@@H](CC)C(=O)N(C)[C@@H](C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(CC=C(C)C)[C@@H](C(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@H](C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@@H](C(C)C)C(=O)N1C
InChIKey: XNWZBIZXSXENSJ-CXUAMOJJSA-N
Target: Peptidyl-prolyl cis-trans isomerase A (SINGLE PROTEIN), Homo sapiens
UniProt: P62937
Assay: Binding affinity to cyclophilin A (unknown origin)
Measurement: Kd < 60 nM (pChEMBL 7.2220001220703125)
Descriptors: MW 1284.78