lovingscience/chembl-v37-raw-activities huggingface dataset:
Compound (SMILES): COc1ccc(C[C@H](NC(=O)Nc2ccc3c(CN4CCCCC4)cn(Cc4ccc(F)cc4)c3c2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC2CCCCC2)cc1
InChIKey: DIHJSNGLVUFADT-ZAQUEYBZSA-N
Target: Proteinase-activated receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P25116
Assay: In vitro displacement of [3H]S-(p-F-Phe)-homoarginine-K Y-NH2 (at a concentration of 10 uM) from thrombin receptor (PAR-1) on the membranes of CHRF-288-11 cells
Measurement: IC50 = 2300 nM (pChEMBL 5.639999866485596)
Descriptors: MW 810.03, ALogP 5.79, HBA 7, HBD 6, PSA 181.13, QED 0.04
Compound (SMILES): Oc1ccc(Cn2cc[nH]c2=S)cc1F
InChIKey: KLQIKJGTTNJPKN-UHFFFAOYSA-N
Target: Dopamine beta-hydroxylase (SINGLE PROTEIN), Rattus norvegicus
UniProt: Q05754
Assay: Inhibition of dopamine beta-hydroxylase (DbetaH) in hypertensive rats when administered orally (or) intraperitoneally
Measurement: IC50 = 1513.56 nM (pChEMBL 5.820000171661377)
Descriptors: MW 224.26, ALogP 2.44, HBA 3, HBD 2, PSA 40.95, QED 0.77
Compound (SMILES): Oc1ccc(Cn2cc[nH]c2=S)cc1O
InChIKey: HODJWVPARHDNHO-UHFFFAOYSA-N
Target: Dopamine beta-hydroxylase (SINGLE PROTEIN), Bos taurus
UniProt: P15101
Assay: Inhibitory Concentration against bovine Dopamine beta hydroxylase (DBH); Range is between (1.1-3.8).
Measurement: IC50 = 2200 nM (pChEMBL 5.659999847412109)
Descriptors: MW 222.27, ALogP 2.01, HBA 4, HBD 3, PSA 61.18, QED 0.54
Compound (SMILES): CCCCCCN(CCCCCC)C(=O)Cc1c(-c2ccc(F)cc2)[nH]c2ccccc12
InChIKey: VUWXAQFLTSBUDB-UHFFFAOYSA-N
Target: Translocator protein (SINGLE PROTEIN), Homo sapiens
UniProt: P30536
Assay: Binding affinity to human PBR
Measurement: Kd = 4 nM (pChEMBL 8.399999618530273)
Descriptors: MW 436.62, ALogP 7.51, HBA 1, HBD 1, PSA 36.1, QED 0.28
Compound (SMILES): CC(CN1CCN(CC(F)Cc2c[nH]c3ccc(-n4cnnc4)cc23)CC1)c1ccc(F)cc1
InChIKey: VQZDZTOKSITKJO-UHFFFAOYSA-N
Target: 5-hydroxytryptamine receptor 1D (SINGLE PROTEIN), Homo sapiens
UniProt: P28221
Assay: Agonist-induced [35S]GTP-gamma-S, binding in CHO cells stably transfected with human 5-hydroxytryptamine 1D receptor
Measurement: EC50 = 1.6 nM (pChEMBL 8.800000190734863)
Descriptors: MW 464.56, ALogP 4.19, HBA 5, HBD 1, PSA 52.98, QED 0.42
Compound (SMILES): O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-n2ncc(Cc3c(F)cc(F)cc3F)n2)cc1
InChIKey: FASMAUWLJXUAIL-PMERELPUSA-N
Target: Beta-2 adrenergic receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P07550
Assay: Binding affinity for clone human Beta-2 adrenergic receptor from CHO cell membranes in the presence of I-iodocyanopindolol
Measurement: IC50 = 8800 nM (pChEMBL 5.059999942779541)
Descriptors: MW 608.65, ALogP 4.34, HBA 8, HBD 3, PSA 122.03, QED 0.18
Compound (SMILES): O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-n2ncc(Cc3ccc(OC(F)(F)F)cc3)n2)cc1
InChIKey: UTVXTXZVGPURRH-PMERELPUSA-N
Target: Beta-2 adrenergic receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P07550
Assay: Binding affinity for clone human Beta-2 adrenergic receptor from CHO cell membranes in the presence of I-iodocyanopindolol
Measurement: IC50 = 860 nM (pChEMBL 6.070000171661377)
Descriptors: MW 638.67, ALogP 4.82, HBA 9, HBD 3, PSA 131.26, QED 0.16
Compound (SMILES): Cc1cccc2nc(N[C@@H](C)c3ccccc3)oc(=O)c12
InChIKey: CIKYYIMTVLHWRC-LBPRGKRZSA-N
Target: Chymotrypsinogen B (SINGLE PROTEIN), Homo sapiens
UniProt: P17538
Assay: Inhibitory concentration against human chymotrypsin
Measurement: IC50 = 180 nM (pChEMBL 6.75)
Descriptors: MW 280.33, ALogP 3.67, HBA 4, HBD 1, PSA 55.13, QED 0.79
Compound (SMILES): CCN(CC)C(=O)c1ccc(C(=C2CC3CCC(C2)N3C)c2cccc(O)c2)cc1
InChIKey: KRJKWYYZMUDKJR-UHFFFAOYSA-N
Target: Delta-type opioid receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P41143
Assay: Effective concentration against stimulation of [35S]GTP-gamma-S, binding in CHO cells transfected with the human opioid receptor delta 1
Measurement: EC50 = 3 nM (pChEMBL 8.520000457763672)
Descriptors: MW 404.55, ALogP 4.93, HBA 3, HBD 1, PSA 43.78, QED 0.77
Compound (SMILES): COc1c(F)cc(Cn2cc[nH]c2=S)cc1F
InChIKey: JGGJPPRXUFKTAU-UHFFFAOYSA-N
Target: Dopamine beta-hydroxylase (SINGLE PROTEIN), Bos taurus
UniProt: P15101
Assay: Inhibitory Concentration against bovine Dopamine beta hydroxylase (DBH); Range is between (27-48).
Measurement: IC50 = 36000 nM (pChEMBL 4.440000057220459)
Descriptors: MW 256.28, ALogP 2.88, HBA 3, HBD 1, PSA 29.95, QED 0.86
Compound (SMILES): COc1c(Cl)cc(Cn2cc[nH]c2=S)cc1Cl
InChIKey: OUWZPDPPOPKNPG-UHFFFAOYSA-N
Target: Dopamine beta-hydroxylase (SINGLE PROTEIN), Rattus norvegicus
UniProt: Q05754
Assay: Inhibition of dopamine beta-hydroxylase (DbetaH) in hypertensive rats when administered orally (or) intraperitoneally
Measurement: IC50 = 46773.51 nM (pChEMBL 4.329999923706055)
Descriptors: MW 289.19, ALogP 3.91, HBA 3, HBD 1, PSA 29.95, QED 0.87
Compound (SMILES): Fc1ccc(Cn2cc[nH]c2=S)cc1
InChIKey: AWRNKBMEDXPMIN-UHFFFAOYSA-N
Target: Dopamine beta-hydroxylase (SINGLE PROTEIN), Bos taurus
UniProt: P15101
Assay: Inhibitory Concentration against bovine Dopamine beta hydroxylase (DBH); Range is between (40-56)
Measurement: IC50 = 47000 nM (pChEMBL 4.329999923706055)
Descriptors: MW 208.26, ALogP 2.73, HBA 2, HBD 1, PSA 20.72, QED 0.75
Compound (SMILES): CN[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)NCC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(N)=O
InChIKey: OBZTVKAUYYDOFM-WOKAEJKNSA-N
Target: Kappa-type opioid receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P41145
Assay: Evaluated for inhibitory activity against Opioid receptor kappa 1 of rabbit vas deferens (RVD)
Measurement: IC50 = 1183 nM (pChEMBL 5.929999828338623)
Descriptors: MW 994.21, ALogP -2.89, HBA 12, HBD 14, PSA 407.85, QED 0.02
Compound (SMILES): Clc1ccc2ncnc(NCc3ccc4c(c3)OCO4)c2c1
InChIKey: CNODHOSDWZLJGA-UHFFFAOYSA-N
Target: Phosphodiesterase 3A (SINGLE PROTEIN), Sus scrofa
UniProt: Q9XSW7
Assay: Inhibition of cGMP-inhibited PDE 3 from porcine aorta
Measurement: IC50 > 100000 nM (pChEMBL 4)
Descriptors: MW 313.74, ALogP 3.62, HBA 5, HBD 1, PSA 56.27, QED 0.8
Compound (SMILES): CCNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCN=C(N)N)N(C)C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H]1CSSC[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@H](Cc2ccccc2)C(=O)N1
InChIKey: UQHCMUXJGZRDTC-ADYVUFBVSA-N
Target: Mu-type opioid receptor (SINGLE PROTEIN), Cavia porcellus
UniProt: P97266
Assay: Binding affinities against Opioid receptor mu 1 of guinea pig brain membrane using [3H]DAGO as the radioligand using competition binding assays.
Measurement: Ki = 0.85 nM (pChEMBL 9.069999694824219)
Descriptors: MW 1056.33
Compound (SMILES): CCNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCN=C(N)N)N(C)C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1ccc([N+](=O)[O-])cc1)NC(=O)CNC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC
InChIKey: XDSPUQCZLCLKFD-NGXVWMITSA-N
Target: Kappa-type opioid receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P41145
Assay: Evaluated for inhibitory activity against Opioid receptor kappa 1 of rabbit vas deferens (RVD)
Measurement: IC50 = 9.1 nM (pChEMBL 8.039999961853027)
Descriptors: MW 1081.29
Compound (SMILES): CCNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCN=C(N)N)N(C)C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC
InChIKey: JENWDDCMEATQSR-NGXVWMITSA-N
Target: Kappa-type opioid receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P41145
Assay: Evaluated for inhibitory activity against Opioid receptor kappa 1 of rabbit vas deferens (RVD)
Measurement: IC50 = 2.6 nM (pChEMBL 8.59000015258789)
Descriptors: MW 1036.29
Compound (SMILES): Cc1cccc2nc(N[C@H](C)c3ccccc3)oc(=O)c12
InChIKey: CIKYYIMTVLHWRC-GFCCVEGCSA-N
Target: Chymotrypsinogen B (SINGLE PROTEIN), Homo sapiens
UniProt: P17538
Assay: Inhibitory concentration against human chymotrypsin
Measurement: IC50 = 88 nM (pChEMBL 7.059999942779541)
Descriptors: MW 280.33, ALogP 3.67, HBA 4, HBD 1, PSA 55.13, QED 0.79
Compound (SMILES): O=S(=O)(Nc1ccc(CCNC[C@H](O)COc2cccnc2)cc1)c1ccc(Cl)c(Cl)c1
InChIKey: SWFWBELGCQKLLB-SFHVURJKSA-N
Target: Beta-2 adrenergic receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P07550
Assay: Evaluated for its agonist activity and the binding affinity against human Beta-2 adrenergic receptor in membranes from chinese hamster ovary cell
Measurement: IC50 = 360 nM (pChEMBL 6.440000057220459)
Descriptors: MW 496.42, ALogP 3.76, HBA 6, HBD 3, PSA 100.55, QED 0.35
Compound (SMILES): Nc1ccc(OC[C@@H](O)CNCCc2ccc(NS(=O)(=O)c3ccc(Br)cc3)cc2)cn1
InChIKey: MMTSAMHMDBSVAB-IBGZPJMESA-N
Target: Beta-2 adrenergic receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P07550
Assay: Evaluated for its agonist activity and the binding affinity against human Beta-2 adrenergic receptor in membranes from chinese hamster ovary cell
Measurement: IC50 = 380 nM (pChEMBL 6.420000076293945)
Descriptors: MW 521.44, ALogP 2.8, HBA 7, HBD 4, PSA 126.57, QED 0.29
Compound (SMILES): FC(Cc1c[nH]c2ccc(-n3cnnc3)cc12)CN1CCC(Cc2ccccc2)CC1
InChIKey: MNQUDTHIXVJDIS-UHFFFAOYSA-N
Target: 5-hydroxytryptamine receptor 1D (SINGLE PROTEIN), Homo sapiens
UniProt: P28221
Assay: Displacement of specific [3H]5-HT binding to cloned human 5-hydroxytryptamine 1D receptor expressed in CHO cells
Measurement: IC50 = 0.9 nM (pChEMBL 9.050000190734863)
Descriptors: MW 417.53, ALogP 4.58, HBA 4, HBD 1, PSA 49.74, QED 0.48
Compound (SMILES): Nc1ccc(OC[C@@H](O)CNCCc2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2)cn1
InChIKey: UCXSLZGOQTZJCK-IBGZPJMESA-N
Target: Beta-2 adrenergic receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P07550
Assay: Evaluated for its agonist activity and the binding affinity against human Beta-2 adrenergic receptor in membranes from chinese hamster ovary cell
Measurement: IC50 = 990 nM (pChEMBL 6)
Descriptors: MW 476.99, ALogP 2.69, HBA 7, HBD 4, PSA 126.57, QED 0.31
Compound (SMILES): Nc1ccc(OC[C@@H](O)CNCCc2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)cn1
InChIKey: UMRMQEWJURCGSN-IBGZPJMESA-N
Target: Beta-2 adrenergic receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P07550
Assay: Evaluated for its agonist activity and the binding affinity against human Beta-2 adrenergic receptor in membranes from chinese hamster ovary cell
Measurement: IC50 = 1000 nM (pChEMBL 6)
Descriptors: MW 460.53, ALogP 2.18, HBA 7, HBD 4, PSA 126.57, QED 0.32
Compound (SMILES): CCN(CC)C(=O)c1ccc(C(=C2CC3CCC(C2)N3C)c2cccc(OC)c2)cc1
InChIKey: ABBSYOBLSNKXQO-UHFFFAOYSA-N
Target: Delta-type opioid receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P41143
Assay: Effective concentration against stimulation of [35S]GTP-gamma-S, binding in CHO cells transfected with the human opioid receptor delta 1
Measurement: EC50 = 65 nM (pChEMBL 7.190000057220459)
Descriptors: MW 418.58, ALogP 5.24, HBA 3, HBD 0, PSA 32.78, QED 0.64
Compound (SMILES): CCN(CC)C(=O)c1ccc(C(=C2CC3CCC(C2)N3C)c2ccc(O)cc2)cc1
InChIKey: IHGJYBHYZNYXJH-UHFFFAOYSA-N
Target: Delta-type opioid receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P41143
Assay: Effective concentration against stimulation of [35S]GTP-gamma-S, binding in CHO cells transfected with the human opioid receptor delta 1
Measurement: EC50 = 9 nM (pChEMBL 8.050000190734863)
Descriptors: MW 404.55, ALogP 4.93, HBA 3, HBD 1, PSA 43.78, QED 0.77
Compound (SMILES): Nc1ccc(OC[C@@H](O)CNCCc2ccc(NS(=O)(=O)c3cnc4ccccc4c3)cc2)cn1
InChIKey: XVHHXHFRYXZSGS-NRFANRHFSA-N
Target: Beta-2 adrenergic receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P07550
Assay: Evaluated for its agonist activity and the binding affinity against human Beta-2 adrenergic receptor in membranes from chinese hamster ovary cell
Measurement: IC50 = 1300 nM (pChEMBL 5.889999866485596)
Descriptors: MW 493.59, ALogP 2.58, HBA 8, HBD 4, PSA 139.46, QED 0.23
Compound (SMILES): Nc1ccc(OC[C@@H](O)CNCCc2ccc(NS(=O)(=O)c3ccccc3)cc2)cn1
InChIKey: XIEQQRICTMMFEK-IBGZPJMESA-N
Target: Beta-2 adrenergic receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P07550
Assay: Evaluated for its agonist activity and the binding affinity against human Beta-2 adrenergic receptor in membranes from chinese hamster ovary cell
Measurement: IC50 = 630 nM (pChEMBL 6.199999809265137)
Descriptors: MW 442.54, ALogP 2.04, HBA 7, HBD 4, PSA 126.57, QED 0.33
Compound (SMILES): O=C(O)C(=O)N(c1ccccc1C(=O)O)c1cccc2ccc(O)cc12
InChIKey: IGOULVZYQKJJKC-UHFFFAOYSA-N
Target: Tyrosine-protein phosphatase non-receptor type 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P18031
Assay: Inhibition of PTP1B
Measurement: Ki = 25118.86 nM (pChEMBL 4.599999904632568)
Descriptors: MW 351.31, ALogP 2.99, HBA 4, HBD 3, PSA 115.14, QED 0.62
Compound (SMILES): O=C(O)C(=O)N(c1ccccc1C(=O)O)c1cccc2ccccc12
InChIKey: WQWCUHJIERBOSM-UHFFFAOYSA-N
Target: Tyrosine-protein phosphatase non-receptor type 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P18031
Assay: Binding affinity for Protein-tyrosine phosphatase 1B
Measurement: Ki = 39000 nM (pChEMBL 4.409999847412109)
Descriptors: MW 335.32, ALogP 3.29, HBA 3, HBD 2, PSA 94.91, QED 0.72
Compound (SMILES): N#C/C(=C\c1ccc(O)c(O)c1)C(=O)NCCCNC(=O)/C(C#N)=C/c1ccc(O)c(O)c1
InChIKey: ZHOKHSGWBNPFQU-GONBZBRSSA-N
Target: Epidermal growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P00533
Assay: Inhibition of epidermal growth factor receptor (EGFR) phosphorylation of the exogenous substrate poly(Glu6, Ala3,Tyr) (polyGAT)
Measurement: IC50 = 400 nM (pChEMBL 6.400000095367432)
Descriptors: MW 448.44, ALogP 1.65, HBA 8, HBD 6, PSA 186.7, QED 0.15
Compound (SMILES): O=C(/C=C/c1ccc(O)c(O)c1)OC(C(=O)O)C(OC(=O)/C=C/c1ccc(O)c(O)c1)C(=O)O
InChIKey: YDDGKXBLOXEEMN-FCXRPNKRSA-N
Target: Human immunodeficiency virus type 1 integrase (SINGLE PROTEIN), Human immunodeficiency virus 1
UniProt: Q7ZJM1
Assay: Inhibitory activity against Human Immunodeficiency Virus Type 1 integrase (HIV-1 IN) in the disintegration assay.
Measurement: IC50 = 80 nM (pChEMBL 7.099999904632568)
Descriptors: MW 474.37, ALogP 1.23, HBA 10, HBD 6, PSA 208.12, QED 0.17
Compound (SMILES): CSc1ccc2ncnc(NCc3ccc4c(c3)OCO4)c2c1
InChIKey: ZSNLDKXJGHWPBO-UHFFFAOYSA-N
Target: Phosphodiesterase 3A (SINGLE PROTEIN), Sus scrofa
UniProt: Q9XSW7
Assay: Inhibition of cGMP-inhibited PDE 3 from porcine aorta
Measurement: IC50 > 100000 nM (pChEMBL 4)
Descriptors: MW 325.39, ALogP 3.69, HBA 6, HBD 1, PSA 56.27, QED 0.74
Compound (SMILES): CCN(CC)C(=O)c1ccc(/C(=C2/C[C@H]3CC[C@@H](C2)N3)c2ccccc2)cc1
InChIKey: HFTDPNTWNMNISE-JEOYDALESA-N
Target: Delta-type opioid receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P41143
Assay: Effective concentration against stimulation of [35S]GTP-gamma-S, binding in CHO cells transfected with the human opioid receptor delta 1
Measurement: EC50 = 53 nM (pChEMBL 7.28000020980835)
Descriptors: MW 374.53, ALogP 4.88, HBA 2, HBD 1, PSA 32.34, QED 0.81
Compound (SMILES): CC(C)c1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)COc3cccnc3)cc2)cc1
InChIKey: BVMFDIYNCISFGG-QHCPKHFHSA-N
Target: Beta-2 adrenergic receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P07550
Assay: Evaluated for its agonist activity and the binding affinity against human Beta-2 adrenergic receptor in membranes from chinese hamster ovary cell
Measurement: IC50 = 410 nM (pChEMBL 6.389999866485596)
Descriptors: MW 469.61, ALogP 3.58, HBA 6, HBD 3, PSA 100.55, QED 0.35
Compound (SMILES): CN1CCN(C2=Nc3ccccc3Sc3ccc(Cl)cc32)CC1
InChIKey: KAAZGXDPUNNEFN-UHFFFAOYSA-N
Target: D(1A) dopamine receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P21728
Assay: Binding affinity towards human DRD1 in an in vitro assay with cellular components (NIBR assay) measured by scintillation counting
Measurement: AC50 = 6.1 nM (pChEMBL 8.210000038146973)
Descriptors: MW 343.88, ALogP 4.13, HBA 4, HBD 0, PSA 18.84, QED 0.72
Compound (SMILES): COc1cc2c(NCc3ccc4c(c3)OCO4)ncnc2c(OC)c1OC
InChIKey: OTQULNJSJQEICR-UHFFFAOYSA-N
Target: Phosphodiesterase 3A (SINGLE PROTEIN), Sus scrofa
UniProt: Q9XSW7
Assay: Inhibition of cGMP-inhibited phosphodiesterase from porcine coronary arteries
Measurement: IC50 > 100000 nM (pChEMBL 4)
Descriptors: MW 369.38, ALogP 3, HBA 8, HBD 1, PSA 83.96, QED 0.71
Compound (SMILES): C=CCN1[C@@H]2CC[C@H]1C/C(=C(/c1ccccc1)c1ccc(C(=O)N(CC)CC)cc1)C2
InChIKey: ZCAJUSLEHCCIDZ-XDGQVVELSA-N
Target: Delta-type opioid receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P41143
Assay: Effective concentration against stimulation of [35S]GTP-gamma-S, binding in CHO cells transfected with the human opioid receptor delta 1
Measurement: EC50 = 177 nM (pChEMBL 6.75)
Descriptors: MW 414.59, ALogP 5.78, HBA 2, HBD 0, PSA 23.55, QED 0.54
Compound (SMILES): CCN(CC)C(=O)c1ccc(/C(=C2/C[C@H]3CC[C@@H](C2)N3C)c2ccccc2)cc1
InChIKey: INMXXSMLCGOQDR-UOFJDMSKSA-N
Target: Delta-type opioid receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P41143
Assay: Effective concentration against stimulation of [35S]GTP-gamma-S, binding in CHO cells transfected with the human opioid receptor delta 1
Measurement: EC50 = 149 nM (pChEMBL 6.829999923706055)
Descriptors: MW 388.56, ALogP 5.23, HBA 2, HBD 0, PSA 23.55, QED 0.7
Compound (SMILES): CCN(CC)C(=O)c1ccc(/C(=C2\C[C@H]3CC[C@@H](C2)N3CCc2ccccc2)c2ccccc2)cc1
InChIKey: ZJOPBPNTQRUJNM-QITDLIALSA-N
Target: Delta-type opioid receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P41143
Assay: Effective concentration against stimulation of [35S]GTP-gamma-S, binding in CHO cells transfected with the human opioid receptor delta 1
Measurement: EC50 = 34 nM (pChEMBL 7.46999979019165)
Descriptors: MW 478.68, ALogP 6.84, HBA 2, HBD 0, PSA 23.55, QED 0.35
Compound (SMILES): CN[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)NCC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(N)=O
InChIKey: FEHIRDAILRCTKI-FJDAGKCQSA-N
Target: Kappa-type opioid receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P41145
Assay: Evaluated for inhibitory activity against Opioid receptor kappa 1 of rabbit vas deferens (RVD)
Measurement: IC50 = 13000 nM (pChEMBL 4.889999866485596)
Descriptors: MW 952.13, ALogP -3.92, HBA 12, HBD 14, PSA 407.85, QED 0.02
Compound (SMILES): CN[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)NCC(=O)N[C@H](Cc1ccccc1)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(N)=O
InChIKey: WZOGXQPCETVHOV-WRQFUQGOSA-N
Target: Kappa-type opioid receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P41145
Assay: Evaluated for inhibitory activity against Opioid receptor kappa 1 of rabbit vas deferens (RVD)
Measurement: IC50 = 189 nM (pChEMBL 6.71999979019165)
Descriptors: MW 1008.24
Compound (SMILES): Oc1cccc(/C=N/N=C/c2cccc(O)c2O)c1O
InChIKey: LRQXLWBMGFQQHO-BGPOSVGRSA-N
Target: Ras-related protein Rab-9A (SINGLE PROTEIN), Homo sapiens
UniProt: P51151
Assay: PUBCHEM_BIOASSAY: qHTS Assay for Rab9 Promoter Activators. (Class of assay: confirmatory) 
Measurement: Potency = 3981.1 nM (pChEMBL 5.400000095367432)
Descriptors: MW 272.26, ALogP 1.96, HBA 6, HBD 4, PSA 105.64, QED 0.39
Compound (SMILES): O=C(c1ccc(C(=C2CC3CCC(C2)N3CCc2ccccc2)c2ccccc2)cc1)N1CCOCC1
InChIKey: NODWWNXPLNVIFY-UHFFFAOYSA-N
Target: Delta-type opioid receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P41143
Assay: Effective concentration against stimulation of [35S]GTP-gamma-S, binding in CHO cells transfected with the human opioid receptor delta 1
Measurement: EC50 = 350 nM (pChEMBL 6.460000038146973)
Descriptors: MW 492.66, ALogP 5.83, HBA 3, HBD 0, PSA 32.78, QED 0.43
Compound (SMILES): CCN(CC)C(=O)c1ccc(C(=C2CC3CCC(C2)N3CCCc2ccccc2)c2ccccc2)cc1
InChIKey: YMEAXELZMGDHIH-UHFFFAOYSA-N
Target: Delta-type opioid receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P41143
Assay: Effective concentration against stimulation of [35S]GTP-gamma-S, binding in CHO cells transfected with the human opioid receptor delta 1
Measurement: EC50 = 112 nM (pChEMBL 6.949999809265137)
Descriptors: MW 492.71, ALogP 7.23, HBA 2, HBD 0, PSA 23.55, QED 0.31
Compound (SMILES): O=S(=O)(Nc1ccc(CCNC[C@H](O)COc2cccnc2)cc1)c1ccc(Br)cc1
InChIKey: XAIVJWNZTMSMKF-FQEVSTJZSA-N
Target: Beta-2 adrenergic receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P07550
Assay: Evaluated for its agonist activity and the binding affinity against human Beta-2 adrenergic receptor in membranes from chinese hamster ovary cell
Measurement: IC50 = 230 nM (pChEMBL 6.639999866485596)
Descriptors: MW 506.42, ALogP 3.22, HBA 6, HBD 3, PSA 100.55, QED 0.35
Compound (SMILES): O=S(=O)(Nc1ccc(CCNC[C@H](O)COc2cccnc2)cc1)c1ccc(Cl)cc1
InChIKey: CNMFEYUJQSQUBJ-FQEVSTJZSA-N
Target: Beta-2 adrenergic receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P07550
Assay: Evaluated for its agonist activity and the binding affinity against human Beta-2 adrenergic receptor in membranes from chinese hamster ovary cell
Measurement: IC50 = 430 nM (pChEMBL 6.369999885559082)
Descriptors: MW 461.97, ALogP 3.11, HBA 6, HBD 3, PSA 100.55, QED 0.38
Compound (SMILES): O=S(=O)(Nc1ccc(CCNC[C@H](O)COc2cccnc2)cc1)c1ccc(F)cc1
InChIKey: WWPYNKRNJNPFSG-FQEVSTJZSA-N
Target: Beta-2 adrenergic receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P07550
Assay: Evaluated for its agonist activity and the binding affinity against human Beta-2 adrenergic receptor in membranes from chinese hamster ovary cell
Measurement: IC50 = 900 nM (pChEMBL 6.050000190734863)
Descriptors: MW 445.52, ALogP 2.59, HBA 6, HBD 3, PSA 100.55, QED 0.39
Compound (SMILES): O=C(/C=C/c1ccc(O)c(O)c1)OC(Cc1ccc(O)c(O)c1)C(=O)O
InChIKey: DOUMFZQKYFQNTF-ZZXKWVIFSA-N
Target: Lysine-specific demethylase 4E (SINGLE PROTEIN), Homo sapiens
UniProt: B2RXH2
Assay: PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) 
Measurement: Potency = 3981.1 nM (pChEMBL 5.400000095367432)
Descriptors: MW 360.32, ALogP 1.76, HBA 7, HBD 5, PSA 144.52, QED 0.3
Compound (SMILES): O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-n2ncc(COc3ccc(C(F)(F)F)cc3)n2)cc1
InChIKey: BNDBBYINHFCCSQ-PMERELPUSA-N
Target: Beta-2 adrenergic receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P07550
Assay: Binding affinity for clone human Beta-2 adrenergic receptor from CHO cell membranes in the presence of I-iodocyanopindolol
Measurement: IC50 = 730 nM (pChEMBL 6.139999866485596)
Descriptors: MW 638.67, ALogP 4.93, HBA 9, HBD 3, PSA 131.26, QED 0.15
Compound (SMILES): O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-n2ncc(COc3ccc(F)c(F)c3)n2)cc1
InChIKey: YMJNZSRXRGBYCR-PMERELPUSA-N
Target: Beta-2 adrenergic receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P07550
Assay: Binding affinity for clone human Beta-2 adrenergic receptor from CHO cell membranes in the presence of I-iodocyanopindolol
Measurement: IC50 = 690 nM (pChEMBL 6.159999847412109)
Descriptors: MW 606.65, ALogP 4.19, HBA 9, HBD 3, PSA 131.26, QED 0.17
Compound (SMILES): Oc1ccc(/C=C/c2cc(O)cc(O)c2)cc1
InChIKey: LUKBXSAWLPMMSZ-OWOJBTEDSA-N
Target: Prostaglandin G/H synthase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P35354
Assay: Inhibition of human recombinant COX2 by measuring PGE2
Measurement: IC50 = 996 nM (pChEMBL 6)
Descriptors: MW 228.25, ALogP 2.97, HBA 3, HBD 3, PSA 60.69, QED 0.69
Compound (SMILES): CC(CN1CCN(CC(F)(F)Cc2c[nH]c3ccc(-n4cnnc4)cc23)CC1)c1ccccc1
InChIKey: GRSJCQNPOIIGRR-UHFFFAOYSA-N
Target: 5-hydroxytryptamine receptor 1D (SINGLE PROTEIN), Homo sapiens
UniProt: P28221
Assay: Agonist-induced [35S]GTP-gamma-S, binding in CHO cells stably transfected with human 5-hydroxytryptamine 1D receptor
Measurement: EC50 = 16 nM (pChEMBL 7.800000190734863)
Descriptors: MW 464.56, ALogP 4.35, HBA 5, HBD 1, PSA 52.98, QED 0.42
Compound (SMILES): CN1CCN(C2=Nc3cc(F)ccc3Cc3ccccc32)CC1
InChIKey: OBWGMKKHCLHVIE-UHFFFAOYSA-N
Target: Mitogen-activated protein kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P28482
Assay: PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of the ERK Signaling Pathway using a Homogeneous Screening Assay; Stimulation with EGF. (Class of assay: confirmatory) [Related pubchem assays: 995 ]
Measurement: Potency = 11220.2 nM (pChEMBL 4.949999809265137)
Descriptors: MW 309.39, ALogP 3.06, HBA 3, HBD 0, PSA 18.84, QED 0.74
Compound (SMILES): CN[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)NCC(=O)N(C)[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(N)=O
InChIKey: KBYBJHQGCXOQQA-JPRYDEJLSA-N
Target: Kappa-type opioid receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P41145
Assay: Evaluated for inhibitory activity against Opioid receptor kappa 1 of rabbit vas deferens (RVD)
Measurement: IC50 = 301 nM (pChEMBL 6.519999980926514)
Descriptors: MW 1008.24
Compound (SMILES): C=CCN1[C@@H]2CC[C@H]1CC(N(c1ccccc1)c1ccc(C(=O)N(CC)CC)cc1)C2
InChIKey: ZBBYTOZMJTVBRI-IQCGEYIDSA-N
Target: Delta-type opioid receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P41143
Assay: Effective concentration against stimulation of [35S]GTP-gamma-S, binding in CHO cells transfected with the human opioid receptor delta 1
Measurement: EC50 = 12 nM (pChEMBL 7.920000076293945)
Descriptors: MW 417.6, ALogP 5.49, HBA 3, HBD 0, PSA 26.79, QED 0.53
Compound (SMILES): CCN(CC)C(=O)c1ccc(N(c2ccccc2)C2C[C@H]3CC[C@@H](C2)N3)cc1
InChIKey: MYTSDSWMJSRDRF-DETIRCLXSA-N
Target: Delta-type opioid receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P41143
Assay: Effective concentration against stimulation of [35S]GTP-gamma-S, binding in CHO cells transfected with the human opioid receptor delta 1
Measurement: EC50 = 12 nM (pChEMBL 7.920000076293945)
Descriptors: MW 377.53, ALogP 4.59, HBA 3, HBD 1, PSA 35.58, QED 0.8
Compound (SMILES): CN1CCN(C2=Nc3cccnc3Nc3ccc(Cl)cc32)CC1
InChIKey: QTPHXTPUQBAPOK-UHFFFAOYSA-N
Target: 5-hydroxytryptamine receptor 2A (SINGLE PROTEIN), Rattus norvegicus
UniProt: P14842
Assay: In vitro binding affinity at serotonin 5-hydroxytryptamine 2A receptor in rat cortical membrane
Measurement: Ki = 35 nM (pChEMBL 7.460000038146973)
Descriptors: MW 327.82, ALogP 3.12, HBA 5, HBD 1, PSA 43.76, QED 0.81
Compound (SMILES): CN1CCN(C2=Nc3ccccc3Nc3ncccc32)CC1
InChIKey: BDBJMQOWEILZJV-UHFFFAOYSA-N
Target: D(1A) dopamine receptor (SINGLE PROTEIN), Rattus norvegicus
UniProt: P18901
Assay: In vitro binding affinity against Dopamine receptor D1 in rat striatal tissue
Measurement: Ki = 726 nM (pChEMBL 6.139999866485596)
Descriptors: MW 293.37, ALogP 2.46, HBA 5, HBD 1, PSA 43.76, QED 0.81
Compound (SMILES): O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-n2ncc(-c3cccc(F)c3)n2)cc1
InChIKey: VPWYLAXSAWMVAG-LJAQVGFWSA-N
Target: Beta-2 adrenergic receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P07550
Assay: Binding affinity for clone human Beta-2 adrenergic receptor from CHO cell membranes in the presence of I-iodocyanopindolol
Measurement: IC50 = 8800 nM (pChEMBL 5.059999942779541)
Descriptors: MW 558.64, ALogP 4.13, HBA 8, HBD 3, PSA 122.03, QED 0.21
Compound (SMILES): O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-n2ncc(Cc3ccc(F)cc3)n2)cc1
InChIKey: OGAMFQMNCVZDFQ-PMERELPUSA-N
Target: Beta-2 adrenergic receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P07550
Assay: Binding affinity for clone human Beta-2 adrenergic receptor from CHO cell membranes in the presence of I-iodocyanopindolol
Measurement: IC50 = 780 nM (pChEMBL 6.110000133514404)
Descriptors: MW 572.67, ALogP 4.06, HBA 8, HBD 3, PSA 122.03, QED 0.19
Compound (SMILES): CC(C)/N=C/Nc1ccc(-c2c[nH]cn2)cc1
InChIKey: GOZUADYOHPCXLE-UHFFFAOYSA-N
Target: Histamine H2 receptor (SINGLE PROTEIN), Cavia porcellus
UniProt: P47747
Assay: Antagonistic activity of guinea pig Histamine H2 receptor expressed as pA2 at pH 7.8
Measurement: Kd = 11.75 nM (pChEMBL 7.929999828338623)
Descriptors: MW 228.3, ALogP 2.93, HBA 2, HBD 2, PSA 53.07, QED 0.62
Compound (SMILES): O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-n2ncc(Cc3c(F)cccc3F)n2)cc1
InChIKey: CJKJKGXQVYGNAU-PMERELPUSA-N
Target: Beta-2 adrenergic receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P07550
Assay: Binding affinity for clone human Beta-2 adrenergic receptor from CHO cell membranes in the presence of I-iodocyanopindolol
Measurement: IC50 = 5000 nM (pChEMBL 5.300000190734863)
Descriptors: MW 590.66, ALogP 4.2, HBA 8, HBD 3, PSA 122.03, QED 0.19
Compound (SMILES): N#Cc1ccc2ncnc(NCc3ccc4c(c3)OCO4)c2c1
InChIKey: WUNFRAAMBTVEBT-UHFFFAOYSA-N
Target: Phosphodiesterase 3A (SINGLE PROTEIN), Sus scrofa
UniProt: Q9XSW7
Assay: Inhibition of cGMP-inhibited PDE 3 from porcine aorta
Measurement: IC50 > 100000 nM (pChEMBL 4)
Descriptors: MW 304.31, ALogP 2.84, HBA 6, HBD 1, PSA 80.06, QED 0.8
Compound (SMILES): O=S(=O)(Nc1ccc(CCNC[C@H](O)COc2ccccc2)cc1)c1ccc(I)cc1
InChIKey: PACSDZIXKPFELR-NRFANRHFSA-N
Target: Beta-2 adrenergic receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P07550
Assay: Evaluated for its agonist activity and the binding affinity against human Beta-2 adrenergic receptor in membranes from chinese hamster ovary cell
Measurement: IC50 = 50 nM (pChEMBL 7.300000190734863)
Descriptors: MW 552.43, ALogP 3.66, HBA 5, HBD 3, PSA 87.66, QED 0.25
Compound (SMILES): c1ccc2c(c1)CCC1C(c3ccncc3)C21
InChIKey: KNIGVLQBCXKAGG-UHFFFAOYSA-N
Target: Steroid 17-alpha-hydroxylase/17,20 lyase (SINGLE PROTEIN), Rattus norvegicus
UniProt: P11715
Assay: In vitro inhibitory activity against Steroidgenic Cytochrome P450 17 alpha using rat testicular microsomes.
Measurement: IC50 = 36000 nM (pChEMBL 4.440000057220459)
Descriptors: MW 221.3, ALogP 3.53, HBA 1, HBD 0, PSA 12.89, QED 0.72
Compound (SMILES): O=C(c1ccc(C(=C2CC3CCC(C2)N3CCc2ccccc2)c2ccccc2)cc1)N1CCCC1
InChIKey: BWKJDYXJOPQVRB-UHFFFAOYSA-N
Target: Delta-type opioid receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P41143
Assay: Effective concentration against stimulation of [35S]GTP-gamma-S, binding in CHO cells transfected with the human opioid receptor delta 1
Measurement: EC50 = 1463 nM (pChEMBL 5.829999923706055)
Descriptors: MW 476.66, ALogP 6.59, HBA 2, HBD 0, PSA 23.55, QED 0.4
Compound (SMILES): CCN(CCO)C(=O)c1ccc(C(=C2CC3CCC(C2)N3CCc2ccccc2)c2ccccc2)cc1
InChIKey: DZSSNPPKARQQAQ-UHFFFAOYSA-N
Target: Delta-type opioid receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P41143
Assay: Effective concentration against stimulation of [35S]GTP-gamma-S, binding in CHO cells transfected with the human opioid receptor delta 1
Measurement: EC50 = 548 nM (pChEMBL 6.260000228881836)
Descriptors: MW 494.68, ALogP 5.81, HBA 3, HBD 1, PSA 43.78, QED 0.41
Compound (SMILES): COCCN(CCOC)C(=O)c1ccc(C(=C2CC3CCC(C2)N3CCc2ccccc2)c2ccccc2)cc1
InChIKey: FFEKAHCMXNAHRK-UHFFFAOYSA-N
Target: Delta-type opioid receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P41143
Assay: Effective concentration against stimulation of [35S]GTP-gamma-S, binding in CHO cells transfected with the human opioid receptor delta 1
Measurement: EC50 = 403 nM (pChEMBL 6.389999866485596)
Descriptors: MW 538.73, ALogP 6.09, HBA 4, HBD 0, PSA 42.01, QED 0.28
Compound (SMILES): CN1CCN(C2=Nc3cc(Cl)ccc3Sc3ccccc32)CC1
InChIKey: KPQVFXHERXUYEX-UHFFFAOYSA-N
Target: Histamine H4 receptor (SINGLE PROTEIN), Homo sapiens
UniProt: Q9H3N8
Assay: Displacement of [3H]histamine from human histamine H4 receptor transfected in SK-N-MC cells
Measurement: Ki = 2041.74 nM (pChEMBL 5.690000057220459)
Descriptors: MW 343.88, ALogP 4.13, HBA 4, HBD 0, PSA 18.84, QED 0.72
Compound (SMILES): Oc1ccc2c(c1)C1C(CC2)C1c1ccncc1
InChIKey: TVJLBISYUFEUTM-UHFFFAOYSA-N
Target: Cytochrome P450 11B2, mitochondrial (SINGLE PROTEIN), Rattus norvegicus
UniProt: P30099
Assay: In vitro inhibition of ACTH-stimulated aldosterone biosynthesis in rat adrenal slices
Measurement: IC50 = 7000 nM (pChEMBL 5.159999847412109)
Descriptors: MW 237.3, ALogP 3.23, HBA 2, HBD 1, PSA 33.12, QED 0.83
Compound (SMILES): CCN(CC)C(=O)c1ccc(C(=C2CC3CCC(C2)N3CCC2CCCCC2)c2ccccc2)cc1
InChIKey: WBUVKLBYJIXWCO-UHFFFAOYSA-N
Target: Delta-type opioid receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P41143
Assay: Effective concentration against stimulation of [35S]GTP-gamma-S, binding in CHO cells transfected with the human opioid receptor delta 1
Measurement: EC50 = 228 nM (pChEMBL 6.639999866485596)
Descriptors: MW 484.73, ALogP 7.57, HBA 2, HBD 0, PSA 23.55, QED 0.39
Compound (SMILES): CCCCCCNC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)COc3cccnc3)cc2)cc1
InChIKey: NOBXTXIDJTUPFU-SANMLTNESA-N
Target: Beta-2 adrenergic receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P07550
Assay: Evaluated for its agonist activity and the binding affinity against human Beta-2 adrenergic receptor in membranes from chinese hamster ovary cell
Measurement: IC50 = 430 nM (pChEMBL 6.369999885559082)
Descriptors: MW 569.73, ALogP 4.16, HBA 7, HBD 5, PSA 141.68, QED 0.15
Compound (SMILES): CCCN(CCC)C(=O)c1ccc(C(=C2CC3CCC(C2)N3CCc2ccccc2)c2ccccc2)cc1
InChIKey: MPHVSAOSKNRUSS-UHFFFAOYSA-N
Target: Delta-type opioid receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P41143
Assay: Effective concentration against stimulation of [35S]GTP-gamma-S, binding in CHO cells transfected with the human opioid receptor delta 1
Measurement: EC50 = 3557 nM (pChEMBL 5.449999809265137)
Descriptors: MW 506.73, ALogP 7.62, HBA 2, HBD 0, PSA 23.55, QED 0.28
Compound (SMILES): O=S(=O)(Nc1ccc(CCNC[C@H](O)COc2ccc(F)cc2)cc1)c1ccc(I)cc1
InChIKey: QLHQVTPMIQWMSN-NRFANRHFSA-N
Target: Beta-2 adrenergic receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P07550
Assay: Evaluated for its agonist activity and the binding affinity against human Beta-2 adrenergic receptor in membranes from chinese hamster ovary cell
Measurement: IC50 = 100 nM (pChEMBL 7)
Descriptors: MW 570.42, ALogP 3.8, HBA 5, HBD 3, PSA 87.66, QED 0.24
Compound (SMILES): CC(C)C[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O
InChIKey: AYOSEAIEHXRVMB-KHLMYIKTSA-N
Target: Kappa-type opioid receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P41145
Assay: Evaluated for inhibitory activity against Opioid receptor kappa 1 of rabbit vas deferens (RVD)
Measurement: IC50 = 45.5 nM (pChEMBL 7.340000152587891)
Descriptors: MW 994.21, ALogP -2.77, HBA 12, HBD 14, PSA 421.84, QED 0.02
Compound (SMILES): CN[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(N)=O
InChIKey: LBTOPPHBIVWGRP-AVTNSMPVSA-N
Target: Kappa-type opioid receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P41145
Assay: Evaluated for inhibitory activity against Opioid receptor kappa 1 of rabbit vas deferens (RVD)
Measurement: IC50 = 85.5 nM (pChEMBL 7.070000171661377)
Descriptors: MW 1008.24
Compound (SMILES): CC(C)C[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CN(C)C(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O
InChIKey: FCCVEVGXEFJWGD-DUGSHLAESA-N
Target: Kappa-type opioid receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P41145
Assay: Evaluated for inhibitory activity against Opioid receptor kappa 1 of rabbit vas deferens (RVD)
Measurement: IC50 = 738 nM (pChEMBL 6.130000114440918)
Descriptors: MW 994.21, ALogP -2.81, HBA 12, HBD 13, PSA 413.05, QED 0.02
Compound (SMILES): CN[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(N)=O
InChIKey: STAOFAVYNCLOCN-DEYFMMSJSA-N
Target: Kappa-type opioid receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P41145
Assay: Evaluated for inhibitory activity against Opioid receptor kappa 1 of rabbit vas deferens (RVD)
Measurement: IC50 = 125 nM (pChEMBL 6.900000095367432)
Descriptors: MW 1008.24
Compound (SMILES): Fc1ccc(-c2nc[nH]c2-c2ccncc2)cc1
InChIKey: MAOSUPNJVJGJEU-UHFFFAOYSA-N
Target: Mitogen-activated protein kinase 14 (SINGLE PROTEIN), Mus musculus
UniProt: P47811
Assay: In vivo inhibition of murine Mitogen-activated protein kinase p38 alpha activity, GST-ATF-2 as substrate in the presence of 120 uM ATP
Measurement: IC50 = 1000 nM (pChEMBL 6)
Descriptors: MW 239.25, ALogP 3.28, HBA 2, HBD 1, PSA 41.57, QED 0.75
Compound (SMILES): CC(C)N(C(=O)c1ccc(C(=C2CC3CCC(C2)N3CCc2ccccc2)c2ccccc2)cc1)C(C)C
InChIKey: SNXWEUBBRHJIEA-UHFFFAOYSA-N
Target: Delta-type opioid receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P41143
Assay: Effective concentration against stimulation of [35S]GTP-gamma-S, binding in CHO cells transfected with the human opioid receptor delta 1
Measurement: EC50 = 5041 nM (pChEMBL 5.300000190734863)
Descriptors: MW 506.73, ALogP 7.62, HBA 2, HBD 0, PSA 23.55, QED 0.31
Compound (SMILES): O=C(O)Cn1c(=O)c(=O)[nH]c2cc([N+](=O)[O-])c(-n3ccc(CN4CCN(CCc5ccccc5)CC4)c3)cc21
InChIKey: RIJIYYKFIMDTMK-UHFFFAOYSA-N
Target: Glutamate receptor ionotropic, kainate 3 (SINGLE PROTEIN), Homo sapiens
UniProt: Q13003
Assay: Binding affinity towards cloned human GluR7 subunit stably expressed in cultured HEK293 cells using [3]H-kainate as radioligand
Measurement: Ki = 1400 nM (pChEMBL 5.849999904632568)
Descriptors: MW 532.56, ALogP 1.83, HBA 9, HBD 2, PSA 146.71, QED 0.19
Compound (SMILES): C[S+](C)Cc1ccc2cc1C(=O)NCC(=O)NCC(=O)NCCCC[C@H](N)C(=O)N1CCC[C@H]1C(=O)N2.O=C(O)C(F)(F)F.O=C([O-])C(F)(F)F
InChIKey: DKIDFMJZQCVXSP-TULUPMBKSA-N
Target: Dipeptidyl peptidase 4 (SINGLE PROTEIN), Homo sapiens
UniProt: P27487
Assay: Inhibitory activity against hydrolysis of Gly-Pro-pNa by CD26 (dipeptidylpeptidase 4) purified from CEM H01 cells
Measurement: Ki = 85 nM (pChEMBL 7.070000171661377)
Descriptors: MW 533.68, ALogP -0.53, HBA 6, HBD 5, PSA 162.73, QED 0.32
Compound (SMILES): CN[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)NCC(=O)N[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(N)=O
InChIKey: CUBLDHBTEOMICO-DUGSHLAESA-N
Target: Kappa-type opioid receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P41145
Assay: Evaluated for inhibitory activity against Opioid receptor kappa 1 of rabbit vas deferens (RVD)
Measurement: IC50 = 5.5 nM (pChEMBL 8.260000228881836)
Descriptors: MW 1039.21
Compound (SMILES): CCCCCCNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC
InChIKey: TYPIRBLTBYFROQ-YATXZJLRSA-N
Target: Kappa-type opioid receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P41145
Assay: Evaluated for inhibitory activity against Opioid receptor kappa 1 of rabbit vas deferens (RVD)
Measurement: IC50 = 20 nM (pChEMBL 7.699999809265137)
Descriptors: MW 1078.37
Compound (SMILES): CCc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)COc3cccnc3)cc2)cc1
InChIKey: OBMZAQJWOSAVBZ-QFIPXVFZSA-N
Target: Beta-2 adrenergic receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P07550
Assay: Evaluated for its agonist activity and the binding affinity against human Beta-2 adrenergic receptor in membranes from chinese hamster ovary cell
Measurement: IC50 = 94 nM (pChEMBL 7.03000020980835)
Descriptors: MW 455.58, ALogP 3.02, HBA 6, HBD 3, PSA 100.55, QED 0.36
Compound (SMILES): CC[C@H](C)[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)O
InChIKey: OVVIBUHLQIYUEU-LFPYAGEDSA-N
Target: Delta-type opioid receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P41143
Assay: In vitro binding affinity to human Opioid receptor delta 1 on CHO cell membranes using [3H]diprenorphine displacement.
Measurement: Ki = 8.3 nM (pChEMBL 8.079999923706055)
Descriptors: MW 1603.99
Compound (SMILES): Nc1ccc(OC[C@@H](O)CNCCc2ccc(NS(=O)(=O)c3ccc(Cl)c(Cl)c3)cc2)cn1
InChIKey: TYQULXNTIHTDSG-KRWDZBQOSA-N
Target: Beta-2 adrenergic receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P07550
Assay: Evaluated for its agonist activity and the binding affinity against human Beta-2 adrenergic receptor in membranes from chinese hamster ovary cell
Measurement: IC50 = 380 nM (pChEMBL 6.420000076293945)
Descriptors: MW 511.43, ALogP 3.34, HBA 7, HBD 4, PSA 126.57, QED 0.29
Compound (SMILES): CCCCCCNC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)COc3ccc(N)nc3)cc2)cc1
InChIKey: SUROPEFKPIJNCD-VWLOTQADSA-N
Target: Beta-2 adrenergic receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P07550
Assay: Evaluated for its agonist activity and the binding affinity against human Beta-2 adrenergic receptor in membranes from chinese hamster ovary cell
Measurement: IC50 = 640 nM (pChEMBL 6.190000057220459)
Descriptors: MW 584.74, ALogP 3.74, HBA 8, HBD 6, PSA 167.7, QED 0.13
Compound (SMILES): O=C(O)Cn1c(=O)c(=O)[nH]c2cc([N+](=O)[O-])c(-n3ccc(CNCCCc4ccccc4)c3)cc21
InChIKey: DDKYVNAMEHPVHA-UHFFFAOYSA-N
Target: Glutamate receptor ionotropic, kainate 3 (SINGLE PROTEIN), Homo sapiens
UniProt: Q13003
Assay: Binding affinity towards cloned human GluR7 subunit stably expressed in cultured HEK293 cells using [3]H-kainate as radioligand
Measurement: Ki = 1400 nM (pChEMBL 5.849999904632568)
Descriptors: MW 477.48, ALogP 2.2, HBA 8, HBD 3, PSA 152.26, QED 0.14
Compound (SMILES): CCN(CC)C(=O)c1ccc(C(=C2CC3CCC(C2)N3Cc2ccc3c(c2)OCO3)c2ccccc2)cc1
InChIKey: WETZQYWACQZUCR-UHFFFAOYSA-N
Target: Delta-type opioid receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P41143
Assay: Effective concentration against stimulation of [35S]GTP-gamma-S, binding in CHO cells transfected with the human opioid receptor delta 1
Measurement: EC50 = 0.2 nM (pChEMBL 9.699999809265137)
Descriptors: MW 508.66, ALogP 6.53, HBA 4, HBD 0, PSA 42.01, QED 0.36
Compound (SMILES): CCN(CC)C(=O)c1ccc(C(=C2CC3CCC(C2)N3)c2ccc(O)cc2)cc1
InChIKey: YFVXEAIWMFQVBV-UHFFFAOYSA-N
Target: Delta-type opioid receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P41143
Assay: Effective concentration against stimulation of [35S]GTP-gamma-S, binding in CHO cells transfected with the human opioid receptor delta 1
Measurement: EC50 = 5 nM (pChEMBL 8.300000190734863)
Descriptors: MW 390.53, ALogP 4.59, HBA 3, HBD 2, PSA 52.57, QED 0.79
Compound (SMILES): CN[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)NNC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(N)=O
InChIKey: RQXXCFZBIBPJMF-NGTAMTFRSA-N
Target: Kappa-type opioid receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P41145
Assay: Evaluated for inhibitory activity against Opioid receptor kappa 1 of rabbit vas deferens (RVD)
Measurement: IC50 = 152 nM (pChEMBL 6.820000171661377)
Descriptors: MW 995.2, ALogP -2.8, HBA 12, HBD 15, PSA 419.88, QED 0.02
Compound (SMILES): O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-n2ncc(COc3ccc(OC(F)(F)F)cc3)n2)cc1
InChIKey: AWIMPECZNODLQB-PMERELPUSA-N
Target: Beta-2 adrenergic receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P07550
Assay: Binding affinity for clone human Beta-2 adrenergic receptor from CHO cell membranes in the presence of I-iodocyanopindolol
Measurement: IC50 = 620 nM (pChEMBL 6.210000038146973)
Descriptors: MW 654.67, ALogP 4.81, HBA 10, HBD 3, PSA 140.49, QED 0.14
Compound (SMILES): CC(CNS(=O)(=O)C(C)C)c1ccc(-c2ccc(C#N)cc2)cc1
InChIKey: HOQAVGZLYRYHSO-UHFFFAOYSA-N
Target: Glutamate receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P42262
Assay: Activity against human GLUR2 flip expressed in HEK293 cells assessed as glutamate-stimulated calcium influx by FLIPR assay
Measurement: EC50 = 559 nM (pChEMBL 6.25)
Descriptors: MW 342.46, ALogP 3.66, HBA 3, HBD 1, PSA 69.96, QED 0.87
Compound (SMILES): O=C(O)Cn1c(=O)c(=O)[nH]c2cc([N+](=O)[O-])c(-n3ccc(CN4CCCCC4)c3)cc21
InChIKey: COZQTFPEKGKCBV-UHFFFAOYSA-N
Target: Glutamate receptor ionotropic, kainate 3 (SINGLE PROTEIN), Homo sapiens
UniProt: Q13003
Assay: Binding affinity towards cloned human GluR7 subunit stably expressed in cultured HEK293 cells using [3]H-kainate as radioligand
Measurement: Ki = 5700 nM (pChEMBL 5.239999771118164)
Descriptors: MW 427.42, ALogP 1.46, HBA 8, HBD 2, PSA 143.47, QED 0.34
Compound (SMILES): CC[C@H](C)[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O
InChIKey: ALYDWGRDFMLDRH-VORHEVMJSA-N
Target: Kappa-type opioid receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P41145
Assay: Evaluated for inhibitory activity against Opioid receptor kappa 1 of rabbit vas deferens (RVD)
Measurement: IC50 = 17.4 nM (pChEMBL 7.760000228881836)
Descriptors: MW 980.19, ALogP -3.15, HBA 12, HBD 14, PSA 421.84, QED 0.02
Compound (SMILES): CCN(CC)C(=O)c1ccc(C(=C2CC3CCC(C2)N3CCc2ccc(F)cc2)c2ccccc2)cc1
InChIKey: USDNSHPCUINRQT-UHFFFAOYSA-N
Target: Delta-type opioid receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P41143
Assay: Effective concentration against stimulation of [35S]GTP-gamma-S, binding in CHO cells transfected with the human opioid receptor delta 1
Measurement: EC50 = 27 nM (pChEMBL 7.570000171661377)
Descriptors: MW 496.67, ALogP 6.98, HBA 2, HBD 0, PSA 23.55, QED 0.34
Compound (SMILES): CCCN1C2CCC1CC(=C(c1ccccc1)c1ccc(C(=O)N(CC)CC)cc1)C2
InChIKey: CLYBTDNNANXCCM-UHFFFAOYSA-N
Target: Delta-type opioid receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P41143
Assay: Effective concentration against stimulation of [35S]GTP-gamma-S, binding in CHO cells transfected with the human opioid receptor delta 1
Measurement: EC50 = 43 nM (pChEMBL 7.369999885559082)
Descriptors: MW 416.61, ALogP 6.01, HBA 2, HBD 0, PSA 23.55, QED 0.55
Compound (SMILES): Cc1ccc2c(c1)C(N1CCN(C)CC1)=Nc1cccnc1N2
InChIKey: MMCMKWDIEUZMQB-UHFFFAOYSA-N
Target: 5-hydroxytryptamine receptor 2A (SINGLE PROTEIN), Rattus norvegicus
UniProt: P14842
Assay: In vitro binding affinity at serotonin 5-hydroxytryptamine 2A receptor in rat cortical membrane
Measurement: Ki = 37 nM (pChEMBL 7.429999828338623)
Descriptors: MW 307.4, ALogP 2.77, HBA 5, HBD 1, PSA 43.76, QED 0.81
Compound (SMILES): CCc1ccccc1N(C(=O)C(=O)O)c1ccccc1C(=O)O
InChIKey: RIYVWGMNMPBZMQ-UHFFFAOYSA-N
Target: Tyrosine-protein phosphatase non-receptor type 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P18031
Assay: Inhibition of PTP1B
Measurement: Ki = 39810.72 nM (pChEMBL 4.400000095367432)
Descriptors: MW 313.31, ALogP 2.7, HBA 3, HBD 2, PSA 94.91, QED 0.85
Compound (SMILES): CCN(CC)C(=O)c1ccc(C(=C2CC3CCC(C2)N3CC(=O)c2ccccc2)c2ccccc2)cc1
InChIKey: AEIDXTHWUACBSH-UHFFFAOYSA-N
Target: Delta-type opioid receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P41143
Assay: Effective concentration against stimulation of [35S]GTP-gamma-S, binding in CHO cells transfected with the human opioid receptor delta 1
Measurement: EC50 = 173 nM (pChEMBL 6.760000228881836)
Descriptors: MW 492.66, ALogP 6.48, HBA 3, HBD 0, PSA 40.62, QED 0.34
Compound (SMILES): O=C1O/C(=C\c2ccccc2)c2ccccc21
InChIKey: YRTPZXMEBGTPLM-UVTDQMKNSA-N
Target: Lethal(3)malignant brain tumor-like protein 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9Y468
Assay: PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of L3MBTL1. (Class of assay: confirmatory) [Related pubchem assays: 485292 (Probe Development Summary for Inhibitors of L3MBTL1)]
Measurement: Potency = 22387.2 nM (pChEMBL 4.650000095367432)
Descriptors: MW 222.24, ALogP 3.36, HBA 2, HBD 0, PSA 26.3, QED 0.69
Compound (SMILES): Fc1ccc(OC[C@@H]2CC[C@H]3CN(c4ncc(F)cn4)CCN3C2)cc1
InChIKey: QXWNESOGWFJDFR-PBHICJAKSA-N
Target: D(3) dopamine receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P35462
Assay: In vitro binding affinity against human D3 dopamine receptor in CHO cells using [3H]spiperone
Measurement: Ki > 2000 nM (pChEMBL 5.698999881744385)
Descriptors: MW 360.41, ALogP 2.73, HBA 5, HBD 0, PSA 41.49, QED 0.84
Compound (SMILES): CCN(CC)C(=O)c1ccc(C(=C2CC3CCC(C2)N3CCc2cccs2)c2ccccc2)cc1
InChIKey: CODNVHULVBDCJR-UHFFFAOYSA-N
Target: Delta-type opioid receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P41143
Assay: Effective concentration against stimulation of [35S]GTP-gamma-S, binding in CHO cells transfected with the human opioid receptor delta 1
Measurement: EC50 = 1348 nM (pChEMBL 5.869999885559082)
Descriptors: MW 484.71, ALogP 6.9, HBA 3, HBD 0, PSA 23.55, QED 0.35
Compound (SMILES): O=C(O)Cn1c(=O)c(=O)[nH]c2cc([N+](=O)[O-])c(-n3ccc(CN4CCC(c5ccccc5)CC4)c3)cc21
InChIKey: DHOYHGUZQYPTFA-UHFFFAOYSA-N
Target: Glutamate receptor ionotropic, kainate 3 (SINGLE PROTEIN), Homo sapiens
UniProt: Q13003
Assay: Binding affinity towards cloned human GluR7 subunit stably expressed in cultured HEK293 cells using [3]H-kainate as radioligand
Measurement: Ki = 530 nM (pChEMBL 6.28000020980835)
Descriptors: MW 503.52, ALogP 2.85, HBA 8, HBD 2, PSA 143.47, QED 0.22
Compound (SMILES): O=C(O)CCn1c(=O)c(=O)[nH]c2cc([N+](=O)[O-])c(-n3cccc3)cc21
InChIKey: DRXNDLSRCBVINN-UHFFFAOYSA-N
Target: Glutamate receptor ionotropic, kainate 3 (SINGLE PROTEIN), Homo sapiens
UniProt: Q13003
Assay: Binding affinity towards cloned human GluR7 subunit stably expressed in cultured HEK293 cells using [3]H-kainate as radioligand
Measurement: Ki = 2500 nM (pChEMBL 5.599999904632568)
Descriptors: MW 344.28, ALogP 0.86, HBA 7, HBD 2, PSA 140.23, QED 0.4
Compound (SMILES): CCN(CC)C(=O)c1ccc(C(=C2CC3CCC(C2)N3CCOc2ccccc2)c2ccccc2)cc1
InChIKey: BJUKILPKANSPOY-UHFFFAOYSA-N
Target: Delta-type opioid receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P41143
Assay: Effective concentration against stimulation of [35S]GTP-gamma-S, binding in CHO cells transfected with the human opioid receptor delta 1
Measurement: EC50 = 623 nM (pChEMBL 6.210000038146973)
Descriptors: MW 494.68, ALogP 6.68, HBA 3, HBD 0, PSA 32.78, QED 0.33