lovingscience/chembl-v37-raw-activities huggingface dataset:
Compound (SMILES): COc1ccccc1N1CCN(CC(O)COc2ccc3c(c2)SCC(=O)N3)CC1
InChIKey: GNBNOEIICSAQHH-UHFFFAOYSA-N
Target: Beta-1 adrenergic receptor (SINGLE PROTEIN), Rattus norvegicus
UniProt: P18090
Assay: Compound was evaluated for its Beta-1 adrenergic receptor binding affinity by measuring the displacement of [3H]dihydroalprenolol binding in rat heart; Not Active means Ki >1000 nM
Measurement: Ki > 1000 nM (pChEMBL 6)
Descriptors: MW 429.54, ALogP 2.3, HBA 7, HBD 2, PSA 74.27, QED 0.7
Compound (SMILES): CN(C)c1ccc(C(=O)NCCCCC(=O)NO)cc1
InChIKey: RMDLUKIPISOZHR-UHFFFAOYSA-N
Target: Histone deacetylase HD2 (SINGLE PROTEIN), Zea mays
UniProt: Q94F81
Assay: Inhibition of maize Histone deacetylase 2 (HD-2) activity
Measurement: IC50 = 2000 nM (pChEMBL 5.699999809265137)
Descriptors: MW 279.34, ALogP 1.16, HBA 4, HBD 3, PSA 81.67, QED 0.4
Compound (SMILES): N=C(N)Nc1ccc(N2C(=O)C(Cc3ccccc3)N=C(c3ccccc3)c3ccccc32)cc1
InChIKey: UGTKYHWANOEDAW-UHFFFAOYSA-N
Target: B2 bradykinin receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P30411
Assay: Binding affinity towards human bradykinin B2 receptor (membranes from Cos-7 cells expressing human B2 receptor) using [3H]-BK as radioligand
Measurement: Ki = 9200 nM (pChEMBL 5.039999961853027)
Descriptors: MW 459.55, ALogP 5.12, HBA 3, HBD 3, PSA 94.57, QED 0.29
Compound (SMILES): O=C(O)CN1C(=O)C(Cc2ccccc2)N=C(c2ccccc2)c2ccccc21
InChIKey: TVOMJEVRCGOQDK-UHFFFAOYSA-N
Target: B2 bradykinin receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P30411
Assay: Binding affinity towards human bradykinin B2 receptor (membranes from Cos-7 cells expressing human B2 receptor) using [3H]-BK as radioligand
Measurement: Ki > 100000 nM (pChEMBL 4)
Descriptors: MW 384.44, ALogP 3.57, HBA 3, HBD 1, PSA 69.97, QED 0.73
Compound (SMILES): N#CC(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccc(O)cc1
InChIKey: ZNPPGMGJDCXSOC-UHFFFAOYSA-N
Target: C-C chemokine receptor type 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P32246
Assay: Inhibition of [125I]-MIP-1 alpha binding to recombinant human C-C chemokine receptor type 1 expressed in HEK293 cells
Measurement: Ki = 975 nM (pChEMBL 6.010000228881836)
Descriptors: MW 384.91, ALogP 4.42, HBA 4, HBD 2, PSA 67.49, QED 0.77
Compound (SMILES): N#CC(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1cccc(Oc2ccccc2)c1
InChIKey: XJRCFXANLVDQID-UHFFFAOYSA-N
Target: C-C chemokine receptor type 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P32246
Assay: Inhibition of [125I]-MIP-1 alpha binding to recombinant human C-C chemokine receptor type 1 expressed in HEK293 cells
Measurement: Ki = 908 nM (pChEMBL 6.039999961853027)
Descriptors: MW 461.01, ALogP 6.5, HBA 4, HBD 1, PSA 56.49, QED 0.42
Compound (SMILES): N#CC(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccc(OCc2ccccc2)cc1
InChIKey: MKNAGUCXNAHDEQ-UHFFFAOYSA-N
Target: C-C chemokine receptor type 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P32246
Assay: Inhibition of [125I]-MIP-1 alpha binding to recombinant human C-C chemokine receptor type 1 expressed in HEK293 cells
Measurement: Ki = 3430 nM (pChEMBL 5.460000038146973)
Descriptors: MW 475.03, ALogP 6.29, HBA 4, HBD 1, PSA 56.49, QED 0.4
Compound (SMILES): CN1CCCC[C@H]1[C@@H]1CCc2c(O)cccc2O1
InChIKey: SAFAEJVPQFBPCV-WFASDCNBSA-N
Target: Neuronal acetylcholine receptor; alpha4/beta2 (PROTEIN COMPLEX), Rattus norvegicus
UniProt: P09483
Assay: In vitro binding affinity towards Nicotinic acetylcholine receptor alpha4-beta2 using [3H]cytisine in rat brain
Measurement: Ki > 5000 nM (pChEMBL 5.301000118255615)
Descriptors: MW 247.34, ALogP 2.57, HBA 3, HBD 1, PSA 32.7, QED 0.83
Compound (SMILES): CN1CCC[C@H]1[C@H]1CCc2ccc(O)cc2O1
InChIKey: ZNYNSJDQHMXNFR-QWHCGFSZSA-N
Target: Neuronal acetylcholine receptor; alpha4/beta2 (PROTEIN COMPLEX), Rattus norvegicus
UniProt: P09483
Assay: In vitro binding affinity towards Nicotinic acetylcholine receptor alpha4-beta2 using [3H]cytisine in rat brain
Measurement: Ki = 21.3 nM (pChEMBL 7.670000076293945)
Descriptors: MW 233.31, ALogP 2.18, HBA 3, HBD 1, PSA 32.7, QED 0.81
Compound (SMILES): CCNC(=O)Nc1ccc(C[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](Cc2cccnc2)NC(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(C)=O)C(=O)N[C@H](Cc2ccc(NC(=O)NCC)cc2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCNC(C)C)C(=O)N2CCC[C@H]2C(=O)N[C@H](C)C(N)=O)cc1
InChIKey: CQNFYZQMLPNPAY-OUPPYNCOSA-N
Target: Gonadotropin-releasing hormone receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P30968
Assay: Antagonism of human GnHR receptor, determined in a reporter gene assay in HEK293 cells
Measurement: IC50 = 5 nM (pChEMBL 8.300000190734863)
Descriptors: MW 1591.32
Compound (SMILES): CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cscn1)NC(=O)[C@@H](CC(=O)NCCc1ccccn1)Cc1ccccc1
InChIKey: UEDBHZMPFGYFPJ-DIIQFSBDSA-N
Target: Renin (SINGLE PROTEIN), Homo sapiens
UniProt: P00797
Assay: Inhibitory concentration against human plasma renin at pH 7.4
Measurement: IC50 = 37 nM (pChEMBL 7.429999828338623)
Descriptors: MW 691.94, ALogP 4.4, HBA 8, HBD 5, PSA 153.54, QED 0.12
Compound (SMILES): CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cn1ccnc1)NC(=O)[C@@H](CC(=O)N(C)CCc1ccccn1)Cc1ccccc1
InChIKey: HAEMUQLHGYOSRB-ZHODSEKVSA-N
Target: Renin (SINGLE PROTEIN), Homo sapiens
UniProt: P00797
Assay: Inhibitory concentration against human plasma renin at pH 7.4
Measurement: IC50 = 14 nM (pChEMBL 7.849999904632568)
Descriptors: MW 688.91, ALogP 3.94, HBA 8, HBD 4, PSA 149.68, QED 0.15
Compound (SMILES): COc1ccccc1N1CCN(Cc2cn(-c3ccc(F)cc3)c(-c3ccc(F)cc3)n2)CC1
InChIKey: YKZBAGIEZBPODW-UHFFFAOYSA-N
Target: D(2) dopamine receptor (SINGLE PROTEIN), Rattus norvegicus
UniProt: P61169
Assay: In vitro binding affinity for Dopamine D2 receptor of rat using [3H]YM-09151 as radioligand
Measurement: IC50 = 120.2 nM (pChEMBL 6.920000076293945)
Descriptors: MW 460.53, ALogP 5.15, HBA 5, HBD 0, PSA 33.53, QED 0.4
Compound (SMILES): Fc1ccc(-c2nc(CN3CCN(c4ccccc4)CC3)cn2-c2ccc(F)cc2)cc1
InChIKey: OCPUMUSLGLBFKT-UHFFFAOYSA-N
Target: D(2) dopamine receptor (SINGLE PROTEIN), Rattus norvegicus
UniProt: P61169
Assay: In vitro binding affinity for Dopamine D2 receptor of rat using [3H]YM-09151 as radioligand
Measurement: IC50 = 167.2 nM (pChEMBL 6.78000020980835)
Descriptors: MW 430.5, ALogP 5.14, HBA 4, HBD 0, PSA 24.3, QED 0.44
Compound (SMILES): N#CC(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccccc1O
InChIKey: ZXUGLXFKGASHTI-UHFFFAOYSA-N
Target: C-C chemokine receptor type 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P32246
Assay: Inhibition of [125I]-MIP-1 alpha binding to recombinant human C-C chemokine receptor type 1 expressed in HEK293 cells
Measurement: Ki = 790 nM (pChEMBL 6.099999904632568)
Descriptors: MW 384.91, ALogP 4.42, HBA 4, HBD 2, PSA 67.49, QED 0.77
Compound (SMILES): C#CCN(Cc1ccc2nc(N)nc(O)c2c1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)c(Cl)c1
InChIKey: QNPWCABZSJTCIO-UHFFFAOYSA-N
Target: Thymidylate synthase (SINGLE PROTEIN), Mus musculus
UniProt: P07607
Assay: In vitro inhibition of L1210 thymidylate synthase
Measurement: IC50 = 30 nM (pChEMBL 7.519999980926514)
Descriptors: MW 511.92, ALogP 2.26, HBA 8, HBD 5, PSA 178.97, QED 0.25
Compound (SMILES): C#CCN(Cc1ccc2nc(N)nc(O)c2c1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1Cl
InChIKey: VHZDFZANLWPDDS-UHFFFAOYSA-N
Target: Thymidylate synthase (SINGLE PROTEIN), Mus musculus
UniProt: P07607
Assay: In vitro inhibition of L1210 thymidylate synthase
Measurement: IC50 = 5000 nM (pChEMBL 5.300000190734863)
Descriptors: MW 511.92, ALogP 2.26, HBA 8, HBD 5, PSA 178.97, QED 0.25
Compound (SMILES): C(=C/N1CCCNCC1)\Cc1ccccc1
InChIKey: ALJLMPFHDQCDHS-NYYWCZLTSA-N
Target: Sodium-dependent dopamine transporter (SINGLE PROTEIN), Rattus norvegicus
UniProt: P23977
Assay: Inhibition of dopamine DA reuptake
Measurement: IC50 = 252 nM (pChEMBL 6.599999904632568)
Descriptors: MW 216.33, ALogP 2.04, HBA 2, HBD 1, PSA 15.27, QED 0.83
Compound (SMILES): N#CC(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1cccs1
InChIKey: CMFKIUAFSUSUDX-UHFFFAOYSA-N
Target: C-C chemokine receptor type 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P32246
Assay: Inhibition of [125I]-MIP-1 alpha binding to recombinant human C-C chemokine receptor type 1 expressed in HEK293 cells
Measurement: Ki = 128 nM (pChEMBL 6.889999866485596)
Descriptors: MW 374.94, ALogP 4.77, HBA 4, HBD 1, PSA 47.26, QED 0.79
Compound (SMILES): O=C(NCCCCN1CCN(c2nsc3ccccc23)CC1)c1ccccn1
InChIKey: UEVPZHOMMNFGGS-UHFFFAOYSA-N
Target: D(2) dopamine receptor (SINGLE PROTEIN), Mus musculus
UniProt: P61168
Assay: Inhibition of mouse Dopamine receptor D2
Measurement: IC50 = 24 nM (pChEMBL 7.619999885559082)
Descriptors: MW 395.53, ALogP 3.02, HBA 6, HBD 1, PSA 61.36, QED 0.62
Compound (SMILES): S=C(NCCCCN(Cc1ccc(Cl)c(Cl)c1)c1ccc(Br)cn1)Nc1cccc(-c2c[nH]cn2)c1
InChIKey: UMVYKPZHWHAJNS-UHFFFAOYSA-N
Target: Somatostatin receptor type 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P30874
Assay: In vitro binding affinity at somatostatin 2 receptor in transfected HEK 293 cell using [125 I]Tyr11-SRIF-14 as radioligand
Measurement: Ki = 1700 nM (pChEMBL 5.769999980926514)
Descriptors: MW 604.4, ALogP 7.31, HBA 4, HBD 3, PSA 68.87, QED 0.13
Compound (SMILES): CCOc1ccccc1N1CCN(Cc2cn(-c3ccccc3)c(-c3ccccc3)n2)CC1
InChIKey: VVYABMSSBXSXFF-UHFFFAOYSA-N
Target: D(2) dopamine receptor (SINGLE PROTEIN), Rattus norvegicus
UniProt: P61169
Assay: In vitro binding affinity for Dopamine D2 receptor of rat using [3H]YM-09151 as radioligand
Measurement: IC50 = 34.7 nM (pChEMBL 7.460000038146973)
Descriptors: MW 438.58, ALogP 5.26, HBA 5, HBD 0, PSA 33.53, QED 0.39
Compound (SMILES): CN1CCN(Cc2cn(-c3ccccc3)c(-c3ccccc3)n2)CC1
InChIKey: HQPLZLFCIJHWSF-UHFFFAOYSA-N
Target: D(2) dopamine receptor (SINGLE PROTEIN), Rattus norvegicus
UniProt: P61169
Assay: In vitro binding affinity for Dopamine D2 receptor of rat using [3H]YM-09151 as radioligand
Measurement: IC50 > 10000 nM (pChEMBL 5)
Descriptors: MW 332.45, ALogP 3.29, HBA 4, HBD 0, PSA 24.3, QED 0.73
Compound (SMILES): COc1cc(C(C)C)c2c(c1)S(=O)(=O)N(COc1cc(=O)n3c(n1)CCCC3)C2=O
InChIKey: NOSGWAWGZYIQJU-UHFFFAOYSA-N
Target: Neutrophil elastase (SINGLE PROTEIN), Homo sapiens
UniProt: P08246
Assay: Potency of inhibition of human leukocyte elastase is expressed as apparent binding constant
Measurement: Ki = 0.11 nM (pChEMBL 9.960000038146973)
Descriptors: MW 433.49, ALogP 1.89, HBA 8, HBD 0, PSA 107.8, QED 0.71
Compound (SMILES): CC(C)(C)c1cc(O)cc(-c2ccc(C(=O)NCc3ccccc3)cc2)c1
InChIKey: GYILJKVKRPIVKD-UHFFFAOYSA-N
Target: Epidermal growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P00533
Assay: In vitro inhibition of intrinsic tyrosine protein kinase activity of the Epidermal growth factor receptor using tripeptide RR-Src
Measurement: IC50 > 5000 nM (pChEMBL 5.301000118255615)
Descriptors: MW 359.47, ALogP 5.29, HBA 2, HBD 2, PSA 49.33, QED 0.67
Compound (SMILES): S=C(NCCc1c[nH]cn1)NCCN(Cc1ccc(Cl)c(Cl)c1)c1ccc(Br)cn1
InChIKey: MIKPOPGCYPLJSP-UHFFFAOYSA-N
Target: Somatostatin receptor type 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P30874
Assay: In vitro binding affinity at somatostatin 2 receptor in transfected HEK 293 cell using [125 I]Tyr11-SRIF-14 as radioligand
Measurement: Ki = 894 nM (pChEMBL 6.050000190734863)
Descriptors: MW 528.31, ALogP 4.59, HBA 4, HBD 3, PSA 68.87, QED 0.35
Compound (SMILES): S=C(NCCCc1c[nH]cn1)NCCCN(Cc1cccc2ccccc12)c1ccc(Br)cn1
InChIKey: DSZPBHJWOKFYBU-UHFFFAOYSA-N
Target: Somatostatin receptor type 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P30874
Assay: In vitro binding affinity at somatostatin 2 receptor in transfected HEK 293 cell using [125 I]Tyr11-SRIF-14 as radioligand
Measurement: Ki = 778 nM (pChEMBL 6.110000133514404)
Descriptors: MW 537.53, ALogP 5.21, HBA 4, HBD 3, PSA 68.87, QED 0.18
Compound (SMILES): C#CCN(Cc1ccc2nc(N)nc(O)c2c1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)c(C)c1
InChIKey: QXYWKDBPARNGDQ-UHFFFAOYSA-N
Target: Thymidylate synthase (SINGLE PROTEIN), Mus musculus
UniProt: P07607
Assay: In vitro inhibition of L1210 thymidylate synthase
Measurement: IC50 = 400 nM (pChEMBL 6.400000095367432)
Descriptors: MW 491.5, ALogP 1.91, HBA 8, HBD 5, PSA 178.97, QED 0.26
Compound (SMILES): C[C@@H]1CN(CCOC(c2ccccc2)c2ccccc2)[C@@H](C)CN1C/C=C/c1ccccc1
InChIKey: NQBRJWVFVDOVMT-GIJMSBLHSA-N
Target: Sodium-dependent dopamine transporter (SINGLE PROTEIN), Rattus norvegicus
UniProt: P23977
Assay: Inhibition of dopamine DA reuptake
Measurement: IC50 = 20 nM (pChEMBL 7.699999809265137)
Descriptors: MW 440.63, ALogP 5.9, HBA 3, HBD 0, PSA 15.71, QED 0.41
Compound (SMILES): O=C(NC1Cc2ccc(NC(=O)c3ccccc3-c3ccc(C(F)(F)F)cc3)cc2C1)c1ccccc1
InChIKey: BAFLTLLASYTFNB-UHFFFAOYSA-N
Target: Apolipoprotein B-100 (SINGLE PROTEIN), Homo sapiens
UniProt: P04114
Assay: Inhibition of apolipoprotein B (apoB) secreted by human hepatoma cells (Hep G2) at 100 nM
Measurement: IC50 = 270 nM (pChEMBL 6.570000171661377)
Descriptors: MW 500.52, ALogP 6.52, HBA 2, HBD 2, PSA 58.2, QED 0.33
Compound (SMILES): S=C(NCCCCN(Cc1ccc(Cl)c(Cl)c1)c1ccc(Br)cn1)NCCCn1ccnc1
InChIKey: ZEKIHIRYKCWJBQ-UHFFFAOYSA-N
Target: Somatostatin receptor type 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P30874
Assay: In vitro binding affinity at somatostatin 2 receptor in transfected HEK 293 cell using [125 I]Tyr11-SRIF-14 as radioligand
Measurement: Ki = 2000 nM (pChEMBL 5.699999809265137)
Descriptors: MW 570.39, ALogP 5.69, HBA 5, HBD 2, PSA 58.01, QED 0.22
Compound (SMILES): N#CC1(CCCN2CCC(O)(c3ccc(F)cc3)CC2)c2ccccc2CSc2ccccc21
InChIKey: SYTQCBZULZYSSV-UHFFFAOYSA-N
Target: C-C chemokine receptor type 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P32246
Assay: Inhibition of [125I]-MIP-1 alpha binding to recombinant human C-C chemokine receptor type 1 expressed in HEK293 cells
Measurement: Ki = 44 nM (pChEMBL 7.360000133514404)
Descriptors: MW 472.63, ALogP 6, HBA 4, HBD 1, PSA 47.26, QED 0.49
Compound (SMILES): COc1cc(C(C)C)c2c(c1)S(=O)(=O)N(COc1nc3ccccn3c(=O)c1Br)C2=O
InChIKey: NJDFQRWPQDFKNR-UHFFFAOYSA-N
Target: Neutrophil elastase (SINGLE PROTEIN), Homo sapiens
UniProt: P08246
Assay: Potency of inhibition of human leukocyte elastase is expressed as apparent binding constant
Measurement: Ki = 0.058 nM (pChEMBL 10.239999771118164)
Descriptors: MW 508.35, ALogP 2.77, HBA 8, HBD 0, PSA 107.28, QED 0.52
Compound (SMILES): O=C(O)CN1C(=O)/C(=C/c2ccc3ccccc3c2)SC1=S
InChIKey: HSUGOEFDHKSPDR-JYRVWZFOSA-N
Target: Aldo-keto reductase family 1 member B1 (SINGLE PROTEIN), Bos taurus
UniProt: P16116
Assay: Evaluated in vitro for the inhibition of Aldose reductase.
Measurement: IC50 = 96 nM (pChEMBL 7.019999980926514)
Descriptors: MW 329.4, ALogP 3.13, HBA 4, HBD 1, PSA 57.61, QED 0.69
Compound (SMILES): O=C(CCCN1CCN(CC2CC(=O)c3ccoc3C2)CC1)c1ccc(F)cc1
InChIKey: UHYVILBATXSTKS-UHFFFAOYSA-N
Target: 5-hydroxytryptamine receptor 2A (SINGLE PROTEIN), Rattus norvegicus
UniProt: P14842
Assay: In vitro affinity against serotonin 5-hydroxytryptamine 2A receptor
Measurement: Ki = 954.99 nM (pChEMBL 6.019999980926514)
Descriptors: MW 398.48, ALogP 3.44, HBA 5, HBD 0, PSA 53.76, QED 0.67
Compound (SMILES): N#CC(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccccc1Br
InChIKey: FNJIYBAEJIZIOM-UHFFFAOYSA-N
Target: C-C chemokine receptor type 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P32246
Assay: Inhibition of [125I]-MIP-1 alpha binding to recombinant human C-C chemokine receptor type 1 expressed in HEK293 cells
Measurement: Ki = 366 nM (pChEMBL 6.440000057220459)
Descriptors: MW 447.8, ALogP 5.47, HBA 3, HBD 1, PSA 47.26, QED 0.64
Compound (SMILES): N#CC(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1cccc(O)c1
InChIKey: WEYKBNXSBLQOIY-UHFFFAOYSA-N
Target: C-C chemokine receptor type 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P32246
Assay: Inhibition of [125I]-MIP-1 alpha binding to recombinant human C-C chemokine receptor type 1 expressed in HEK293 cells
Measurement: Ki = 156 nM (pChEMBL 6.809999942779541)
Descriptors: MW 384.91, ALogP 4.42, HBA 4, HBD 2, PSA 67.49, QED 0.77
Compound (SMILES): N#CC(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1c(F)c(F)c(F)c(F)c1F
InChIKey: SFINWUNHLAYVIS-UHFFFAOYSA-N
Target: C-C chemokine receptor type 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P32246
Assay: Inhibition of [125I]-MIP-1 alpha binding to recombinant human C-C chemokine receptor type 1 expressed in HEK293 cells
Measurement: Ki = 330 nM (pChEMBL 6.480000019073486)
Descriptors: MW 458.86, ALogP 5.41, HBA 3, HBD 1, PSA 47.26, QED 0.36
Compound (SMILES): N#Cc1ccccc1C(C#N)CCCN1CCC(O)(c2ccc(Cl)cc2)CC1
InChIKey: CEWNKOXWSXXSKW-UHFFFAOYSA-N
Target: C-C chemokine receptor type 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P32246
Assay: Inhibition of [125I]-MIP-1 alpha binding to recombinant human C-C chemokine receptor type 1 expressed in HEK293 cells
Measurement: Ki = 98 nM (pChEMBL 7.010000228881836)
Descriptors: MW 393.92, ALogP 4.58, HBA 4, HBD 1, PSA 71.05, QED 0.78
Compound (SMILES): C[S+]([O-])c1cc(CSc2nc(-c3ccc(F)cc3)c(-c3ccncc3)[nH]2)ccc1O
InChIKey: CDVVFTWMBBYLJY-UHFFFAOYSA-N
Target: Mitogen-activated protein kinase 14 (SINGLE PROTEIN), Homo sapiens
UniProt: Q16539
Assay: Inhibition of Mitogen-activated protein kinase p38 (P38 MAPK)
Measurement: IC50 = 3400 nM (pChEMBL 5.46999979019165)
Descriptors: MW 439.54, ALogP 5.01, HBA 5, HBD 2, PSA 84.86, QED 0.33
Compound (SMILES): OCCCCNc1cc(-c2[nH]c3cccnc3c2-c2ccc(F)cc2)ccn1
InChIKey: PTCKYFYUZMMXRO-UHFFFAOYSA-N
Target: Mitogen-activated protein kinase 14 (SINGLE PROTEIN), Homo sapiens
UniProt: Q16539
Assay: In vitro inhibitory concentration against Mitogen-activated protein kinase p38 alpha
Measurement: IC50 = 5 nM (pChEMBL 8.300000190734863)
Descriptors: MW 376.44, ALogP 4.62, HBA 4, HBD 3, PSA 73.83, QED 0.41
Compound (SMILES): Nc1sccc1C(=O)NCCCCN1CCN(c2nsc3ccccc23)CC1
InChIKey: XJOFOTULUMAAAE-UHFFFAOYSA-N
Target: D(2) dopamine receptor (SINGLE PROTEIN), Mus musculus
UniProt: P61168
Assay: Inhibitory activity against Dopamine receptor D2 from mice
Measurement: IC50 = 11 nM (pChEMBL 7.960000038146973)
Descriptors: MW 415.59, ALogP 3.27, HBA 7, HBD 2, PSA 74.49, QED 0.58
Compound (SMILES): C[C@@H]1CN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)[C@@H](C)CN1
InChIKey: ANYGZQHMXQTJQV-CVEARBPZSA-N
Target: Sodium-dependent dopamine transporter (SINGLE PROTEIN), Rattus norvegicus
UniProt: P23977
Assay: Inhibition of dopamine DA reuptake
Measurement: IC50 = 30 nM (pChEMBL 7.519999980926514)
Descriptors: MW 360.45, ALogP 3.75, HBA 3, HBD 1, PSA 24.5, QED 0.85
Compound (SMILES): CCCn1c(=O)c2nc(C(C)CC)[nH]c2n(CCC)c1=O
InChIKey: YCCHHAFZTHOIHV-UHFFFAOYSA-N
Target: Adenosine receptor A1 (SINGLE PROTEIN), Cavia porcellus
UniProt: P47745
Assay: Binding affinity carried out with [3H]cyclohexyladenosine in guinea pig forebrain membranes against adenosine A1 receptor
Measurement: Ki = 25 nM (pChEMBL 7.599999904632568)
Descriptors: MW 292.38, ALogP 2.22, HBA 5, HBD 1, PSA 72.68, QED 0.89
Compound (SMILES): CCCn1c(=O)c2nc(C(C)C)[nH]c2n(CCC)c1=O
InChIKey: QZADLMGDGWDQNX-UHFFFAOYSA-N
Target: Adenosine receptor A1 (SINGLE PROTEIN), Cavia porcellus
UniProt: P47745
Assay: Binding affinity carried out with [3H]cyclohexyladenosine in guinea pig forebrain membranes against adenosine A1 receptor
Measurement: Ki = 49 nM (pChEMBL 7.309999942779541)
Descriptors: MW 278.36, ALogP 1.83, HBA 5, HBD 1, PSA 72.68, QED 0.91
Compound (SMILES): CCCn1c(=O)c2c(nc(C(C3CC3)C3CC3)n2C(=O)OC)n(CCC)c1=O
InChIKey: NRKQQIAUTZNVFE-UHFFFAOYSA-N
Target: Adenosine receptor A1 (SINGLE PROTEIN), Cavia porcellus
UniProt: P47745
Assay: Inhibition of [3H]cyclohexyladenosine binding to guinea pig forebrain membranes adenosine A1 receptor
Measurement: Ki = 6900 nM (pChEMBL 5.159999847412109)
Descriptors: MW 388.47, ALogP 2.7, HBA 8, HBD 0, PSA 88.12, QED 0.73
Compound (SMILES): CC(=O)NC1Cc2ccc(NC(=O)c3ccccc3-c3ccc(C(F)(F)F)cc3)cc2C1
InChIKey: LDMOLCOFCNCFPU-UHFFFAOYSA-N
Target: Apolipoprotein B-100 (SINGLE PROTEIN), Homo sapiens
UniProt: P04114
Assay: Inhibition of apolipoprotein B (apoB) secreted by human hepatoma cells (Hep G2) at 100 nM
Measurement: IC50 = 120 nM (pChEMBL 6.920000076293945)
Descriptors: MW 438.45, ALogP 5.23, HBA 2, HBD 2, PSA 58.2, QED 0.59
Compound (SMILES): NCCC/N=C(\S)NCCN(Cc1ccc(Cl)c(Cl)c1)c1ccc(Br)cn1
InChIKey: XTBJQNVPGHEGHF-UHFFFAOYSA-N
Target: Somatostatin receptor type 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P30874
Assay: In vitro binding affinity at somatostatin 2 receptor in transfected HEK 293 cell using [125 I]Tyr11-SRIF-14 as radioligand
Measurement: Ki = 2300 nM (pChEMBL 5.639999866485596)
Descriptors: MW 491.29, ALogP 4.38, HBA 4, HBD 3, PSA 66.54, QED 0.21
Compound (SMILES): CN(CCc1ccc(Cl)cc1)CCN1CCCC1
InChIKey: GHXKIAKUHUUOBY-UHFFFAOYSA-N
Target: Sigma non-opioid intracellular receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99720
Assay: Displacement of [3H]-(+) -3PPP from sigma receptor in guinea pig brain membranes
Measurement: Ki = 1.47 nM (pChEMBL 8.829999923706055)
Descriptors: MW 266.82, ALogP 2.91, HBA 2, HBD 0, PSA 6.48, QED 0.78
Compound (SMILES): O=C(O)CN1C(=O)/C(=C/c2ccc3ccccc3c2Br)SC1=S
InChIKey: PDKGJWACKWSPEQ-GHXNOFRVSA-N
Target: Aldo-keto reductase family 1 member B1 (SINGLE PROTEIN), Bos taurus
UniProt: P16116
Assay: Evaluated in vitro for the inhibition of Aldose reductase.
Measurement: IC50 = 11 nM (pChEMBL 7.960000038146973)
Descriptors: MW 408.3, ALogP 3.89, HBA 4, HBD 1, PSA 57.61, QED 0.62
Compound (SMILES): CC(C)c1ccc2nc3ccc(C(=O)N[C@H](C)CCCc4cccnc4)cn3c(=O)c2c1
InChIKey: DCNXKPFVMNEKDU-GOSISDBHSA-N
Target: Platelet-activating factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P25105
Assay: Ability to inhibit platelet activating factor (PAF) binding to platelets by 50% was determined by using [3H]PAF as radioligand
Measurement: IC50 = 600 nM (pChEMBL 6.21999979019165)
Descriptors: MW 428.54, ALogP 4.51, HBA 5, HBD 1, PSA 76.36, QED 0.44
Compound (SMILES): CN(C)Cc1ccccc1Sc1cc(F)c(Cl)cc1N
InChIKey: USYMRZQDAPXSPI-UHFFFAOYSA-N
Target: Sodium-dependent serotonin transporter (SINGLE PROTEIN), Rattus norvegicus
UniProt: P31652
Assay: In vitro binding affinity in LLC-PK1 cells by SERT binding assay by using [125I]IDAM as a radioligand
Measurement: Ki = 0.05 nM (pChEMBL 10.300000190734863)
Descriptors: MW 310.83, ALogP 4.27, HBA 3, HBD 1, PSA 29.26, QED 0.85
Compound (SMILES): Nc1ccncc1C(=O)NCCCCN1CCN(c2nsc3ccccc23)CC1
InChIKey: XFUBOVYBCDSIHJ-UHFFFAOYSA-N
Target: D(2) dopamine receptor (SINGLE PROTEIN), Mus musculus
UniProt: P61168
Assay: Inhibitory activity against Dopamine receptor D2 from mice
Measurement: IC50 = 4.7 nM (pChEMBL 8.329999923706055)
Descriptors: MW 410.55, ALogP 2.61, HBA 7, HBD 2, PSA 87.38, QED 0.58
Compound (SMILES): COc1cc(C(C)C)c2c(c1)S(=O)(=O)N(COc1cc(=O)oc3ccccc13)C2=O
InChIKey: SGPCEYHONDSVHD-UHFFFAOYSA-N
Target: Neutrophil elastase (SINGLE PROTEIN), Homo sapiens
UniProt: P08246
Assay: Potency of inhibition of human leukocyte elastase is expressed as apparent binding constant
Measurement: Ki = 0.09 nM (pChEMBL 10.050000190734863)
Descriptors: MW 429.45, ALogP 3.11, HBA 7, HBD 0, PSA 103.12, QED 0.57
Compound (SMILES): COc1cc(C(C)C)c2c(c1)S(=O)(=O)N(COc1nc3ccccn3c(=O)c1C)C2=O
InChIKey: FWZYLYFQHJXDBH-UHFFFAOYSA-N
Target: Neutrophil elastase (SINGLE PROTEIN), Homo sapiens
UniProt: P08246
Assay: Potency of inhibition of human leukocyte elastase is expressed as apparent binding constant
Measurement: Ki = 0.25 nM (pChEMBL 9.600000381469727)
Descriptors: MW 443.48, ALogP 2.32, HBA 8, HBD 0, PSA 107.28, QED 0.6
Compound (SMILES): COC(=O)c1ccc(-c2ccc(C(C)(C)C)cc2O)cc1
InChIKey: KEQYHYKXMYVTQT-UHFFFAOYSA-N
Target: Epidermal growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P00533
Assay: In vitro inhibition of EGF-stimulated DNA synthesis of ER 22 cells by following the incorporation of methyl-[3H]thymidine.
Measurement: IC50 > 5000 nM (pChEMBL 5.301000118255615)
Descriptors: MW 284.36, ALogP 4.14, HBA 3, HBD 1, PSA 46.53, QED 0.84
Compound (SMILES): COCOc1cc(C(C)(C)C)ccc1-c1ccc(C(=O)OCC(C)CC(C)(C)C)cc1
InChIKey: QEFZDJLXQKYPDY-UHFFFAOYSA-N
Target: Epidermal growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P00533
Assay: In vitro inhibition of intrinsic tyrosine protein kinase activity of the Epidermal growth factor receptor using tripeptide RR-Src
Measurement: IC50 > 50000 nM (pChEMBL 4.301000118255615)
Descriptors: MW 426.6, ALogP 6.86, HBA 4, HBD 0, PSA 44.76, QED 0.34
Compound (SMILES): S=C(NCCCCN(Cc1ccc(Br)cc1)c1ccccn1)NCCCc1ccccc1
InChIKey: QDWDLCUCJILOGI-UHFFFAOYSA-N
Target: Somatostatin receptor type 4 (SINGLE PROTEIN), Homo sapiens
UniProt: P31391
Assay: In vitro binding affinity at somatostatin receptor 4 in transfected BHK cells using [125 I]Tyr11-SRIF-14 as radioligand
Measurement: Ki = 71000 nM (pChEMBL 4.150000095367432)
Descriptors: MW 511.53, ALogP 5.73, HBA 3, HBD 2, PSA 40.19, QED 0.24
Compound (SMILES): Cc1ccccc1C1(O)CCN(CCCC2(C#N)c3ccccc3CSc3ccccc32)CC1
InChIKey: IYXCAMJFHKALAM-UHFFFAOYSA-N
Target: C-C chemokine receptor type 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P32246
Assay: Inhibition of [125I]-MIP-1 alpha binding to recombinant human C-C chemokine receptor type 1 expressed in HEK293 cells
Measurement: Ki = 164 nM (pChEMBL 6.789999961853027)
Descriptors: MW 468.67, ALogP 6.17, HBA 4, HBD 1, PSA 47.26, QED 0.49
Compound (SMILES): CCCn1c(=O)c2nc(C(c3ccc(OC)cc3)C3CC3)[nH]c2n(CCC)c1=O
InChIKey: KCKCLVOXBVFOGG-UHFFFAOYSA-N
Target: Adenosine receptor A1 (SINGLE PROTEIN), Cavia porcellus
UniProt: P47745
Assay: Binding affinity carried out with [3H]cyclohexyladenosine in guinea pig forebrain membranes against adenosine A1 receptor
Measurement: Ki = 250 nM (pChEMBL 6.599999904632568)
Descriptors: MW 396.49, ALogP 3.26, HBA 6, HBD 1, PSA 81.91, QED 0.63
Compound (SMILES): CN(CCc1ccc2ccccc2c1)CCN1CCCC1
InChIKey: ZGLVZILGSUJTIQ-UHFFFAOYSA-N
Target: Sigma non-opioid intracellular receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99720
Assay: Displacement of [3H]-(+) -3PPP from sigma receptor in guinea pig brain membranes
Measurement: Ki = 2.09 nM (pChEMBL 8.680000305175781)
Descriptors: MW 282.43, ALogP 3.41, HBA 2, HBD 0, PSA 6.48, QED 0.8
Compound (SMILES): N#CC(CCCCN1CCC(O)(c2ccc(Cl)cc2)CC1)(c1ccccc1)c1ccccc1
InChIKey: ONGBBJHKHVDDDE-UHFFFAOYSA-N
Target: C-C chemokine receptor type 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P32246
Assay: Inhibition of [125I]-MIP-1 alpha binding to recombinant human C-C chemokine receptor type 1 expressed in HEK293 cells
Measurement: Ki = 78 nM (pChEMBL 7.110000133514404)
Descriptors: MW 459.03, ALogP 6.3, HBA 3, HBD 1, PSA 47.26, QED 0.4
Compound (SMILES): C[N+]1(CCCC(c2ccccc2)c2ccccc2)CCC(O)(c2ccc(Cl)cc2)CC1.[I-]
InChIKey: OMBCQJUCJZOCAQ-UHFFFAOYSA-M
Target: C-C chemokine receptor type 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P32246
Assay: Inhibition of [125I]-MIP-1 alpha binding to recombinant human C-C chemokine receptor type 1 expressed in HEK293 cells
Measurement: Ki = 6 nM (pChEMBL 8.220000267028809)
Descriptors: MW 435.03, ALogP 6.38, HBA 1, HBD 1, PSA 20.23, QED 0.43
Compound (SMILES): COCOc1c(-c2ccccc2)cccc1-c1ccc(C(=O)OCC(C)CC(C)(C)C)cc1
InChIKey: XZCBWCFFMKCRKN-UHFFFAOYSA-N
Target: Epidermal growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P00533
Assay: In vitro inhibition of EGF-stimulated DNA synthesis of ER 22 cells by following the incorporation of methyl-[3H]thymidine.
Measurement: IC50 > 10000 nM (pChEMBL 5)
Descriptors: MW 446.59, ALogP 7.23, HBA 4, HBD 0, PSA 44.76, QED 0.26
Compound (SMILES): O=C(NCc1ccccc1)c1ccc(-c2ccc(-c3ccccc3)cc2O)cc1
InChIKey: MZDVWZFWJPDBMM-UHFFFAOYSA-N
Target: Epidermal growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P00533
Assay: In vitro inhibition of intrinsic tyrosine protein kinase activity of the Epidermal growth factor receptor using tripeptide RR-Src
Measurement: IC50 > 1000 nM (pChEMBL 6)
Descriptors: MW 379.46, ALogP 5.66, HBA 2, HBD 2, PSA 49.33, QED 0.47
Compound (SMILES): S=C(NCCN(Cc1ccc(Cl)c(Cl)c1)c1ccc(Br)cn1)Nc1ccc(N2CCCCC2)cc1
InChIKey: LOZIGROCVQDSGY-UHFFFAOYSA-N
Target: Somatostatin receptor type 4 (SINGLE PROTEIN), Homo sapiens
UniProt: P31391
Assay: In vitro binding affinity at somatostatin receptor 4 in transfected BHK cells using [125 I]Tyr11-SRIF-14 as radioligand
Measurement: Ki = 15000 nM (pChEMBL 4.820000171661377)
Descriptors: MW 593.42, ALogP 7.13, HBA 4, HBD 2, PSA 43.43, QED 0.27
Compound (SMILES): O=C(O)Cn1c(-c2ccncc2)c(-c2ccc(F)cc2)c2ncccc21
InChIKey: FNHBRWRBSUNZEP-UHFFFAOYSA-N
Target: Mitogen-activated protein kinase 14 (SINGLE PROTEIN), Homo sapiens
UniProt: Q16539
Assay: In vitro inhibitory concentration against Mitogen-activated protein kinase p38 alpha
Measurement: IC50 = 23600 nM (pChEMBL 4.630000114440918)
Descriptors: MW 347.35, ALogP 3.99, HBA 4, HBD 1, PSA 68.01, QED 0.61
Compound (SMILES): Fc1ccc(-c2c(-c3ccncc3)[nH]c3ccncc23)cc1
InChIKey: VUSIVTWEFRVZIG-UHFFFAOYSA-N
Target: Mitogen-activated protein kinase 14 (SINGLE PROTEIN), Homo sapiens
UniProt: Q16539
Assay: In vitro inhibitory concentration against Mitogen-activated protein kinase p38 alpha
Measurement: IC50 = 3100 nM (pChEMBL 5.510000228881836)
Descriptors: MW 289.31, ALogP 4.43, HBA 2, HBD 1, PSA 41.57, QED 0.59
Compound (SMILES): O=C(NCCCCN1CCN(c2nsc3ccccc23)CC1)c1ccncc1
InChIKey: LEBIUZBOHXBTBZ-UHFFFAOYSA-N
Target: D(2) dopamine receptor (SINGLE PROTEIN), Mus musculus
UniProt: P61168
Assay: Inhibitory activity against Dopamine receptor D2 from mice
Measurement: IC50 = 25 nM (pChEMBL 7.599999904632568)
Descriptors: MW 395.53, ALogP 3.02, HBA 6, HBD 1, PSA 61.36, QED 0.62
Compound (SMILES): CC(C)c1ccc2nc3ccc(C(=O)NCCCCCCc4cncnc4)cn3c(=O)c2c1
InChIKey: XMGWUMLCQPDZIO-UHFFFAOYSA-N
Target: Platelet-activating factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P25105
Assay: Ability to inhibit platelet activating factor (PAF) binding to platelets by 50% was determined by using [3H]PAF as radioligand
Measurement: IC50 = 200 nM (pChEMBL 6.699999809265137)
Descriptors: MW 443.55, ALogP 4.29, HBA 6, HBD 1, PSA 89.25, QED 0.31
Compound (SMILES): N#CC1(CCCN2CCC(O)(c3ccccc3)CC2)c2ccccc2CSc2ccccc21
InChIKey: HTHXBKNIPFOYKZ-UHFFFAOYSA-N
Target: C-C chemokine receptor type 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P32246
Assay: Inhibition of [125I]-MIP-1 alpha binding to recombinant human C-C chemokine receptor type 1 expressed in HEK293 cells
Measurement: Ki = 203 nM (pChEMBL 6.690000057220459)
Descriptors: MW 454.64, ALogP 5.87, HBA 4, HBD 1, PSA 47.26, QED 0.52
Compound (SMILES): COc1cc(C(C)C)c2c(c1)S(=O)(=O)N(COC1=C(c3ccccc3)C(=O)OC1)C2=O
InChIKey: BGWUSOLMGXQVKF-UHFFFAOYSA-N
Target: Neutrophil elastase (SINGLE PROTEIN), Homo sapiens
UniProt: P08246
Assay: Potency of inhibition of human leukocyte elastase is expressed as apparent binding constant
Measurement: Ki = 0.025 nM (pChEMBL 10.600000381469727)
Descriptors: MW 443.48, ALogP 2.91, HBA 7, HBD 0, PSA 99.21, QED 0.63
Compound (SMILES): COc1cc(C(C)C)c2c(c1)S(=O)(=O)N(COC1=C(Cc3ccccc3)C(=O)OC1)C2=O
InChIKey: PQLKMBLZCLXMTN-UHFFFAOYSA-N
Target: Neutrophil elastase (SINGLE PROTEIN), Homo sapiens
UniProt: P08246
Assay: Potency of inhibition of human leukocyte elastase is expressed as apparent binding constant
Measurement: Ki = 0.013 nM (pChEMBL 10.890000343322754)
Descriptors: MW 457.5, ALogP 2.99, HBA 7, HBD 0, PSA 99.21, QED 0.59
Compound (SMILES): COc1cc(C(C)C)c2c(c1)S(=O)(=O)N(COC1=CC(=O)OC1C)C2=O
InChIKey: FTWUDUBMQQJPRT-UHFFFAOYSA-N
Target: Neutrophil elastase (SINGLE PROTEIN), Homo sapiens
UniProt: P08246
Assay: Potency of inhibition of human leukocyte elastase is expressed as apparent binding constant
Measurement: Ki = 0.093 nM (pChEMBL 10.029999732971191)
Descriptors: MW 381.41, ALogP 1.77, HBA 7, HBD 0, PSA 99.21, QED 0.72
Compound (SMILES): CCn1c(-c2ccncc2)c(-c2ccc(F)cc2)c2ncccc21
InChIKey: ARIBSPPNMFOEEQ-UHFFFAOYSA-N
Target: Mitogen-activated protein kinase 14 (SINGLE PROTEIN), Homo sapiens
UniProt: Q16539
Assay: In vitro inhibitory concentration against Mitogen-activated protein kinase p38 alpha
Measurement: IC50 = 24 nM (pChEMBL 7.619999885559082)
Descriptors: MW 317.37, ALogP 4.92, HBA 3, HBD 0, PSA 30.71, QED 0.54
Compound (SMILES): COCCn1c(-c2ccncc2)c(-c2ccc(F)cc2)c2ncccc21
InChIKey: PKXRTJILDWEMOT-UHFFFAOYSA-N
Target: Mitogen-activated protein kinase 14 (SINGLE PROTEIN), Homo sapiens
UniProt: Q16539
Assay: In vitro inhibitory concentration against Mitogen-activated protein kinase p38 alpha
Measurement: IC50 = 21 nM (pChEMBL 7.679999828338623)
Descriptors: MW 347.39, ALogP 4.55, HBA 4, HBD 0, PSA 39.94, QED 0.53
Compound (SMILES): COn1c(-c2ccncc2)c(-c2ccc(F)cc2)c2ncccc21
InChIKey: GYWBLVJSGUQPHL-UHFFFAOYSA-N
Target: Mitogen-activated protein kinase 14 (SINGLE PROTEIN), Homo sapiens
UniProt: Q16539
Assay: In vitro inhibitory concentration against Mitogen-activated protein kinase p38 alpha
Measurement: IC50 = 68 nM (pChEMBL 7.170000076293945)
Descriptors: MW 319.34, ALogP 3.96, HBA 4, HBD 0, PSA 39.94, QED 0.57
Compound (SMILES): CN1CCCC[C@H]1[C@H]1CCc2cc(O)ccc2O1
InChIKey: OYMKMVHQLKXIBG-DZGCQCFKSA-N
Target: Neuronal acetylcholine receptor; alpha4/beta2 (PROTEIN COMPLEX), Rattus norvegicus
UniProt: P09483
Assay: In vitro binding affinity towards Nicotinic acetylcholine receptor alpha4-beta2 using [3H]cytisine in rat brain
Measurement: Ki > 10000 nM (pChEMBL 5)
Descriptors: MW 247.34, ALogP 2.57, HBA 3, HBD 1, PSA 32.7, QED 0.83
Compound (SMILES): CN1CCCC[C@H]1[C@@H]1CCc2ccccc2O1
InChIKey: RJVGVBJTZKQZAY-ZFWWWQNUSA-N
Target: Neuronal acetylcholine receptor; alpha4/beta2 (PROTEIN COMPLEX), Rattus norvegicus
UniProt: P09483
Assay: In vitro binding affinity towards Nicotinic acetylcholine receptor alpha4-beta2 using [3H]cytisine in rat brain
Measurement: Ki = 61800 nM (pChEMBL 4.210000038146973)
Descriptors: MW 231.34, ALogP 2.86, HBA 2, HBD 0, PSA 12.47, QED 0.74
Compound (SMILES): Cc1cnsc1-c1ccccc1OCC1=NCCN1
InChIKey: NBTBSFIAXGORAY-UHFFFAOYSA-N
Target: Alpha-1A adrenergic receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P35348
Assay: Activation of recombinant human adrenergic,alpha-1A receptor expressed in rat-1 fibroblasts determined via calcium mobilization through Gq coupled PLC pathway
Measurement: EC50 = 12.59 nM (pChEMBL 7.900000095367432)
Descriptors: MW 273.36, ALogP 2.5, HBA 5, HBD 1, PSA 46.51, QED 0.93
Compound (SMILES): CCC(C)(C)C
InChIKey: HNRMPXKDFBEGFZ-UHFFFAOYSA-N
Target: Thyrotropin receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P16473
Assay: PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Thyroid Stimulating Hormone Receptor. (Class of assay: confirmatory) 
Measurement: Potency = 10 nM (pChEMBL 8)
Descriptors: MW 86.18, ALogP 2.44, HBA 0, HBD 0, PSA 0, QED 0.42
Compound (SMILES): Cc1cnc(NCC(F)(F)c2ccccc2)c(=O)n1CC(=O)NCc1cc(Cl)ccn1
InChIKey: XEELLDSGGACWLV-UHFFFAOYSA-N
Target: Prothrombin (SINGLE PROTEIN), Homo sapiens
UniProt: P00734
Assay: Inhibitory constant against thrombin (IIa) 
Measurement: Ki = 1.3 nM (pChEMBL 8.890000343322754)
Descriptors: MW 447.87, ALogP 3.12, HBA 6, HBD 2, PSA 88.91, QED 0.55
Compound (SMILES): C[C@@H](O)CNc1cc(-c2[nH]c3cccnc3c2-c2ccc(F)cc2)ccn1
InChIKey: KCXCFBQZWGUDQC-CYBMUJFWSA-N
Target: Mitogen-activated protein kinase 14 (SINGLE PROTEIN), Homo sapiens
UniProt: Q16539
Assay: In vitro inhibitory concentration against Mitogen-activated protein kinase p38 alpha
Measurement: IC50 = 1 nM (pChEMBL 9)
Descriptors: MW 362.41, ALogP 4.22, HBA 4, HBD 3, PSA 73.83, QED 0.5
Compound (SMILES): C[C@@H]1CN(CCOC(c2ccccc2)c2ccccc2)[C@@H](C)CN1
InChIKey: SMWLSBSKAOWHDQ-MSOLQXFVSA-N
Target: Sodium-dependent dopamine transporter (SINGLE PROTEIN), Rattus norvegicus
UniProt: P23977
Assay: Inhibition of dopamine DA reuptake
Measurement: IC50 = 138 nM (pChEMBL 6.860000133514404)
Descriptors: MW 324.47, ALogP 3.47, HBA 3, HBD 1, PSA 24.5, QED 0.88
Compound (SMILES): C(=C/c1ccccc1)\CN1CCCN(CCOC(c2ccccc2)c2ccccc2)CC1
InChIKey: ZKPGBGRZLGOWBB-GXDHUFHOSA-N
Target: Sodium-dependent dopamine transporter (SINGLE PROTEIN), Rattus norvegicus
UniProt: P23977
Assay: Inhibition of dopamine DA reuptake
Measurement: IC50 = 0.6 nM (pChEMBL 9.220000267028809)
Descriptors: MW 426.6, ALogP 5.51, HBA 3, HBD 0, PSA 15.71, QED 0.45
Compound (SMILES): Nc1cnccc1C(=O)NCCCCN1CCN(c2nsc3ccccc23)CC1
InChIKey: JQKRQKUNQKFRTP-UHFFFAOYSA-N
Target: D(2) dopamine receptor (SINGLE PROTEIN), Mus musculus
UniProt: P61168
Assay: Inhibitory activity against Dopamine receptor D2 from mice
Measurement: IC50 = 16 nM (pChEMBL 7.800000190734863)
Descriptors: MW 410.55, ALogP 2.61, HBA 7, HBD 2, PSA 87.38, QED 0.58
Compound (SMILES): CN1CCCC[C@H]1[C@@H]1CCc2ccc(O)cc2O1
InChIKey: BWEKAFCCTNIBFD-KBPBESRZSA-N
Target: Neuronal acetylcholine receptor; alpha4/beta2 (PROTEIN COMPLEX), Rattus norvegicus
UniProt: P09483
Assay: In vitro binding affinity towards Nicotinic acetylcholine receptor alpha4-beta2 using [3H]cytisine in rat brain
Measurement: Ki = 1560 nM (pChEMBL 5.809999942779541)
Descriptors: MW 247.34, ALogP 2.57, HBA 3, HBD 1, PSA 32.7, QED 0.83
Compound (SMILES): C[C@@H]1CN(CCCc2ccccc2)[C@@H](C)CN1CCCc1ccccc1
InChIKey: LKOCZDGKQPKBPV-SZPZYZBQSA-N
Target: Sodium-dependent dopamine transporter (SINGLE PROTEIN), Rattus norvegicus
UniProt: P23977
Assay: Inhibition of dopamine DA reuptake
Measurement: IC50 = 1330 nM (pChEMBL 5.880000114440918)
Descriptors: MW 350.55, ALogP 4.65, HBA 2, HBD 0, PSA 6.48, QED 0.68
Compound (SMILES): Cc1cc(-c2ccccc2OCC2=NCCN2)sn1
InChIKey: MAIIYZVIEWXUSC-UHFFFAOYSA-N
Target: Alpha-1A adrenergic receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P35348
Assay: Activation of recombinant human adrenergic,alpha-1A receptor expressed in rat-1 fibroblasts determined via calcium mobilization through Gq coupled PLC pathway
Measurement: EC50 = 158.49 nM (pChEMBL 6.800000190734863)
Descriptors: MW 273.36, ALogP 2.5, HBA 5, HBD 1, PSA 46.51, QED 0.93
Compound (SMILES): Cc1csc(-c2ccccc2OCC2=NCCN2)n1
InChIKey: BWPVUBRWPURGHZ-UHFFFAOYSA-N
Target: Alpha-1A adrenergic receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P35348
Assay: Activation of recombinant human adrenergic,alpha-1A receptor expressed in rat-1 fibroblasts determined via calcium mobilization through Gq coupled PLC pathway
Measurement: EC50 = 25.12 nM (pChEMBL 7.599999904632568)
Descriptors: MW 273.36, ALogP 2.5, HBA 5, HBD 1, PSA 46.51, QED 0.93
Compound (SMILES): CN(C)CCc1c[nH]c2ccc(OS(=O)(=O)C(F)(F)F)cc12
InChIKey: HWRKZNBGZMBBTP-UHFFFAOYSA-N
Target: 5-hydroxytryptamine receptor 1A (SINGLE PROTEIN), Homo sapiens
UniProt: P08908
Assay: Compound was tested for binding affinity against cloned human 5-hydroxytryptamine 1A receptor expressed in CHO-K1 cells.
Measurement: Ki = 40 nM (pChEMBL 7.400000095367432)
Descriptors: MW 336.34, ALogP 2.5, HBA 4, HBD 1, PSA 62.4, QED 0.67
Compound (SMILES): COc1ccnc(CNC(=O)Cn2c(Cl)cnc(NCC(F)(F)c3ccccn3)c2=O)c1
InChIKey: RIMGXGDFYWBBIX-UHFFFAOYSA-N
Target: Prothrombin (SINGLE PROTEIN), Homo sapiens
UniProt: P00734
Assay: Inhibitory constant against thrombin (IIa) 
Measurement: Ki = 3.6 nM (pChEMBL 8.4399995803833)
Descriptors: MW 464.86, ALogP 2.22, HBA 8, HBD 2, PSA 111.03, QED 0.5
Compound (SMILES): COc1cccnc1CNC(=O)Cn1c(Cl)cnc(NCC(F)(F)c2ccccn2)c1=O
InChIKey: OEHPWTVUGZGFLF-UHFFFAOYSA-N
Target: Prothrombin (SINGLE PROTEIN), Homo sapiens
UniProt: P00734
Assay: Inhibitory constant against thrombin (IIa) 
Measurement: Ki = 15 nM (pChEMBL 7.820000171661377)
Descriptors: MW 464.86, ALogP 2.22, HBA 8, HBD 2, PSA 111.03, QED 0.5
Compound (SMILES): C[C@H](O)CNc1cc(-c2[nH]c3cccnc3c2-c2ccc(F)cc2)ccn1
InChIKey: KCXCFBQZWGUDQC-ZDUSSCGKSA-N
Target: Mitogen-activated protein kinase 14 (SINGLE PROTEIN), Homo sapiens
UniProt: Q16539
Assay: In vitro inhibitory concentration against Mitogen-activated protein kinase p38 alpha
Measurement: IC50 = 1 nM (pChEMBL 9)
Descriptors: MW 362.41, ALogP 4.22, HBA 4, HBD 3, PSA 73.83, QED 0.5
Compound (SMILES): Fc1ccc(C(OCCN2CCCNCC2)c2ccc(F)cc2)cc1
InChIKey: ALYNPRFOXHAEDW-UHFFFAOYSA-N
Target: Sodium-dependent dopamine transporter (SINGLE PROTEIN), Rattus norvegicus
UniProt: P23977
Assay: Inhibition of dopamine DA reuptake
Measurement: IC50 = 17 nM (pChEMBL 7.769999980926514)
Descriptors: MW 346.42, ALogP 3.37, HBA 3, HBD 1, PSA 24.5, QED 0.87
Compound (SMILES): CCCn1c(=O)c2nc(C(C3CCCCC3)C3CCCCC3)[nH]c2n(CCC)c1=O
InChIKey: BTAKKRMEEVEZAS-UHFFFAOYSA-N
Target: Adenosine receptor A1 (SINGLE PROTEIN), Cavia porcellus
UniProt: P47745
Assay: Binding affinity carried out with [3H]cyclohexyladenosine in guinea pig forebrain membranes against adenosine A1 receptor
Measurement: Ki > 100000 nM (pChEMBL 4)
Descriptors: MW 414.59, ALogP 4.95, HBA 5, HBD 1, PSA 72.68, QED 0.7
Compound (SMILES): CCCn1c(=O)c2nc(C(c3ccccc3)C3CCCC3)[nH]c2n(CCC)c1=O
InChIKey: OKHQKQUILBVGOL-UHFFFAOYSA-N
Target: Adenosine receptor A1 (SINGLE PROTEIN), Cavia porcellus
UniProt: P47745
Assay: Binding affinity carried out with [3H]cyclohexyladenosine in guinea pig forebrain membranes against adenosine A1 receptor
Measurement: Ki = 400 nM (pChEMBL 6.400000095367432)
Descriptors: MW 394.52, ALogP 4.03, HBA 5, HBD 1, PSA 72.68, QED 0.66
Compound (SMILES): CCCn1c(=O)c2nc(C(c3ccc(F)cc3)C3CC3)[nH]c2n(CCC)c1=O
InChIKey: GDGUEXHQRZLZNJ-UHFFFAOYSA-N
Target: Adenosine receptor A1 (SINGLE PROTEIN), Cavia porcellus
UniProt: P47745
Assay: Binding affinity carried out with [3H]cyclohexyladenosine in guinea pig forebrain membranes against adenosine A1 receptor
Measurement: Ki = 250 nM (pChEMBL 6.599999904632568)
Descriptors: MW 384.46, ALogP 3.39, HBA 5, HBD 1, PSA 72.68, QED 0.68
Compound (SMILES): O=C(NCCCCN1CCN(c2nsc3ccccc23)CC1)c1cccc2cccnc12
InChIKey: RKPLYODDRKZPRV-UHFFFAOYSA-N
Target: D(2) dopamine receptor (SINGLE PROTEIN), Mus musculus
UniProt: P61168
Assay: Inhibitory activity against Dopamine receptor D2 from mice
Measurement: IC50 = 14 nM (pChEMBL 7.849999904632568)
Descriptors: MW 445.59, ALogP 4.18, HBA 6, HBD 1, PSA 61.36, QED 0.43
Compound (SMILES): O=C(NCCCCN1CCN(c2nsc3ccccc23)CC1)c1c[nH]c2ccccc12
InChIKey: NTTCFOLAAJRIDE-UHFFFAOYSA-N
Target: D(2) dopamine receptor (SINGLE PROTEIN), Mus musculus
UniProt: P61168
Assay: Inhibitory activity against Dopamine receptor D2 from mice
Measurement: IC50 = 14 nM (pChEMBL 7.849999904632568)
Descriptors: MW 433.58, ALogP 4.11, HBA 5, HBD 2, PSA 64.26, QED 0.43
Compound (SMILES): Cc1cnc(NCCc2ccccc2)c(=O)n1CC(=O)NCc1ccccn1
InChIKey: IOTXWKCEEOXTJU-UHFFFAOYSA-N
Target: Prothrombin (SINGLE PROTEIN), Homo sapiens
UniProt: P00734
Assay: Inhibitory constant against thrombin (IIa) 
Measurement: Ki = 390 nM (pChEMBL 6.409999847412109)
Descriptors: MW 377.45, ALogP 1.92, HBA 6, HBD 2, PSA 88.91, QED 0.63
Compound (SMILES): Cc1ccnc(CNC(=O)Cn2c(C)cnc(NCC(F)(F)c3ccccn3)c2=O)c1
InChIKey: LVNOKAFNSBACSJ-UHFFFAOYSA-N
Target: Prothrombin (SINGLE PROTEIN), Homo sapiens
UniProt: P00734
Assay: Inhibitory constant against thrombin (IIa) 
Measurement: Ki = 2.8 nM (pChEMBL 8.550000190734863)
Descriptors: MW 428.44, ALogP 2.17, HBA 7, HBD 2, PSA 101.8, QED 0.57
Compound (SMILES): N#CC(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccccc1Cl
InChIKey: AAGZGAWWUCIKSD-UHFFFAOYSA-N
Target: C-C chemokine receptor type 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P32246
Assay: Inhibition of [125I]-MIP-1 alpha binding to recombinant human C-C chemokine receptor type 1 expressed in HEK293 cells
Measurement: Ki = 306 nM (pChEMBL 6.510000228881836)
Descriptors: MW 403.35, ALogP 5.36, HBA 3, HBD 1, PSA 47.26, QED 0.71
Compound (SMILES): Cc1cc2nc3ccc(C(=O)NCCCCc4ccc[n+](C)c4)cn3c(=O)c2cc1C
InChIKey: LSGMAVUKHAGTEI-UHFFFAOYSA-O
Target: Platelet-activating factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P25105
Assay: Ability to inhibit platelet activating factor (PAF) binding to platelets by 50% was determined by using [3H]PAF as radioligand
Measurement: IC50 > 1000 nM (pChEMBL 6)
Descriptors: MW 415.52, ALogP 3.04, HBA 4, HBD 1, PSA 67.35, QED 0.3
Compound (SMILES): O=C1CC(CN2CCC(C(=O)c3ccc(F)cc3)CC2)Cc2occc21
InChIKey: XFBPGUPMMWBWAS-UHFFFAOYSA-N
Target: 5-hydroxytryptamine receptor 2A (SINGLE PROTEIN), Rattus norvegicus
UniProt: P14842
Assay: Negative log concentration of antagonist on 5-hydroxytryptamine 2A receptor in rat thoracic aorta
Measurement: Kd = 52.48 nM (pChEMBL 7.28000020980835)
Descriptors: MW 355.41, ALogP 3.76, HBA 4, HBD 0, PSA 50.52, QED 0.78
Compound (SMILES): O=C1CC(CN2CCC(c3noc4cc(F)ccc34)CC2)Cc2occc21
InChIKey: RJXYBXCQVVCCAR-UHFFFAOYSA-N
Target: D(2) dopamine receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P14416
Assay: Displacement of [3H]spiperone from human cloned dopamine D2 receptor
Measurement: Ki = 16.22 nM (pChEMBL 7.789999961853027)
Descriptors: MW 368.41, ALogP 4.18, HBA 5, HBD 0, PSA 59.48, QED 0.69
Compound (SMILES): COc1ccccc1N1CCN(CC2CC(=O)c3ccoc3C2)CC1
InChIKey: KDVQFYXINILZBG-UHFFFAOYSA-N
Target: 5-hydroxytryptamine receptor 2A (SINGLE PROTEIN), Rattus norvegicus
UniProt: P14842
Assay: In vitro affinity against serotonin 5-hydroxytryptamine 2A receptor
Measurement: Ki = 2290.87 nM (pChEMBL 5.639999866485596)
Descriptors: MW 340.42, ALogP 2.86, HBA 5, HBD 0, PSA 45.92, QED 0.86
Compound (SMILES): CC(C)CCCCN(CCCCCC(=O)O)S(=O)(=O)/C=C/c1ccc(NC(=O)[C@H]2CC[C@@H](C(C(=O)O)C(=O)O)CC2)cc1
InChIKey: IZCBTCISYCERHO-YZRCXWLOSA-N
Target: Tyrosine-protein kinase SYK (SINGLE PROTEIN), Homo sapiens
UniProt: P43405
Assay: Inhibitory activity against Syk C-terminal SH2.
Measurement: IC50 = 63000 nM (pChEMBL 4.199999809265137)
Descriptors: MW 622.78, ALogP 5.29, HBA 6, HBD 4, PSA 178.38, QED 0.12
Compound (SMILES): CN(C)CCc1c[nH]c2ccc(OCc3ccccc3)cc12
InChIKey: IDIJUWFVRXORPJ-UHFFFAOYSA-N
Target: 5-hydroxytryptamine receptor 1D (SINGLE PROTEIN), Homo sapiens
UniProt: P28221
Assay: Displacement of [3H]-5-HT from human 5-hydroxytryptamine 1D receptor alpha expressed in HEK 293 cells
Measurement: IC50 = 25 nM (pChEMBL 7.599999904632568)
Descriptors: MW 294.4, ALogP 3.85, HBA 2, HBD 1, PSA 28.26, QED 0.75
Compound (SMILES): CCN(CC)CCc1c[nH]c2ccc(O)cc12
InChIKey: DLKZNHHXBDWTOP-UHFFFAOYSA-N
Target: 5-hydroxytryptamine receptor 1D (SINGLE PROTEIN), Homo sapiens
UniProt: P28221
Assay: Displacement of [3H]-5-HT from human 5-hydroxytryptamine 1D receptor alpha expressed in HEK 293 cells
Measurement: IC50 = 77 nM (pChEMBL 7.110000133514404)
Descriptors: MW 232.33, ALogP 2.76, HBA 2, HBD 2, PSA 39.26, QED 0.83
Compound (SMILES): COc1ccc(CNC(=O)/C=C/c2ccc3[nH]cc(CCN(C)C)c3c2)cc1
InChIKey: LBVZWEWTNUDWNS-YRNVUSSQSA-N
Target: Prelamin-A/C (SINGLE PROTEIN), Homo sapiens
UniProt: P02545
Assay: PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) 
Measurement: Potency = 6309.6 nM (pChEMBL 5.199999809265137)
Descriptors: MW 377.49, ALogP 3.61, HBA 3, HBD 2, PSA 57.36, QED 0.59
Compound (SMILES): CCCN(CCC)CCc1c[nH]c2ccc(OCc3ccccc3)cc12
InChIKey: NGUXOFJZFALDHI-UHFFFAOYSA-N
Target: 5-hydroxytryptamine receptor 1D (SINGLE PROTEIN), Homo sapiens
UniProt: P28221
Assay: Displacement of [3H]-5-HT from human 5-hydroxytryptamine 1D receptor alpha expressed in HEK 293 cells
Measurement: IC50 = 470 nM (pChEMBL 6.329999923706055)
Descriptors: MW 350.51, ALogP 5.41, HBA 2, HBD 1, PSA 28.26, QED 0.53
Compound (SMILES): Cc1ccnc(CNC(=O)Cn2c(C)cnc(NCC(F)(F)c3ccccn3)c2=O)c1F
InChIKey: WOYBPRBUPLYTPY-UHFFFAOYSA-N
Target: Prothrombin (SINGLE PROTEIN), Homo sapiens
UniProt: P00734
Assay: Inhibitory constant against thrombin (IIa) 
Measurement: Ki = 1 nM (pChEMBL 9)
Descriptors: MW 446.43, ALogP 2.31, HBA 7, HBD 2, PSA 101.8, QED 0.55
Compound (SMILES): Cc1cc2nc3ccc(C(=O)NCCCCc4cnc[n+](C)c4)cn3c(=O)c2cc1C
InChIKey: UWLZCFFIRHNTTO-UHFFFAOYSA-O
Target: Platelet-activating factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P25105
Assay: Ability to inhibit platelet activating factor (PAF) binding to platelets by 50% was determined by using [3H]PAF as radioligand
Measurement: IC50 > 1000 nM (pChEMBL 6)
Descriptors: MW 416.51, ALogP 2.44, HBA 5, HBD 1, PSA 80.24, QED 0.3
Compound (SMILES): S=C(NCCCN(Cc1ccc(Cl)c(Cl)c1)c1ccc(Br)cn1)Nc1ccc(N2CCCCC2)cc1
InChIKey: XQUKWVAFDMQERR-UHFFFAOYSA-N
Target: Somatostatin receptor type 4 (SINGLE PROTEIN), Homo sapiens
UniProt: P31391
Assay: In vitro binding affinity at somatostatin receptor 4 in transfected BHK cells using [125 I]Tyr11-SRIF-14 as radioligand
Measurement: Ki = 71000 nM (pChEMBL 4.150000095367432)
Descriptors: MW 607.45, ALogP 7.52, HBA 4, HBD 2, PSA 43.43, QED 0.19
Compound (SMILES): Fc1ccc(-c2c(-c3ccncc3)[nH]c3ccccc23)cc1
InChIKey: UDPCJKJQBNTOLM-UHFFFAOYSA-N
Target: Mitogen-activated protein kinase 14 (SINGLE PROTEIN), Homo sapiens
UniProt: Q16539
Assay: In vitro inhibitory concentration against Mitogen-activated protein kinase p38 alpha
Measurement: IC50 = 1800 nM (pChEMBL 5.75)
Descriptors: MW 288.32, ALogP 5.04, HBA 1, HBD 1, PSA 28.68, QED 0.55
Compound (SMILES): CC(C)c1ccc2nc3ccc(S(=O)(=O)NCCCCc4cccnc4)cn3c(=O)c2c1
InChIKey: CUWDEWBTCUPBBR-UHFFFAOYSA-N
Target: Platelet-activating factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P25105
Assay: Ability to inhibit platelet activating factor (PAF) binding to platelets by 50% was determined by using [3H]PAF as radioligand
Measurement: IC50 > 1000 nM (pChEMBL 6)
Descriptors: MW 450.56, ALogP 3.67, HBA 6, HBD 1, PSA 93.43, QED 0.33