BDBM50056445 1,1-diethyl-3-[(8alpha)-6-methyl-9,10-didehydroergolin-8-yl]urea::CHEMBL157138::N'-((8alpha)-9,10-Didehydro-6-methylergolin-8-yl)-N,N-diethylurea::lisuride::lisuride, (S)

SMILES CCN(CC)C(=O)N[C@@H]1CN(C)[C@@H]2Cc3c[nH]c4cccc(C2=C1)c34

InChI Key InChIKey=BKRGVLQUQGGVSM-KBXCAEBGSA-N

Data  7 KI  8 Kd  1 EC50

PDB links: 3 PDB IDs match this monomer.

Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 16 hits for monomerid = 50056445   

Target5-hydroxytryptamine receptor 1A(Homo sapiens (Human))
Pharmacia & Upjohn

Curated by ChEMBL
LigandPNGBDBM50056445(1,1-diethyl-3-[(8alpha)-6-methyl-9,10-didehydroerg...)
Show SMILES CCN(CC)C(=O)N[C@@H]1CN(C)[C@@H]2Cc3c[nH]c4cccc(C2=C1)c34
Show InChI InChI=1S/C20H26N4O/c1-4-24(5-2)20(25)22-14-10-16-15-7-6-8-17-19(15)13(11-21-17)9-18(16)23(3)12-14/h6-8,10-11,14,18,21H,4-5,9,12H2,1-3H3,(H,22,25)/t14-,18+/m0/s1
Affinity DataKi:  0.400nMAssay Description:Binding affinity towards Serotonin 5-hydroxytryptamine 1A receptor by displacement of [3H]-(+)-8-OH-DPAT.More data for this Ligand-Target Pair
TargetD(2) dopamine receptor(Homo sapiens (Human))
Pharmacia & Upjohn

Curated by ChEMBL
LigandPNGBDBM50056445(1,1-diethyl-3-[(8alpha)-6-methyl-9,10-didehydroerg...)
Show SMILES CCN(CC)C(=O)N[C@@H]1CN(C)[C@@H]2Cc3c[nH]c4cccc(C2=C1)c34
Show InChI InChI=1S/C20H26N4O/c1-4-24(5-2)20(25)22-14-10-16-15-7-6-8-17-19(15)13(11-21-17)9-18(16)23(3)12-14/h6-8,10-11,14,18,21H,4-5,9,12H2,1-3H3,(H,22,25)/t14-,18+/m0/s1
Affinity DataKi:  0.5nMAssay Description:Binding affinity towards Dopamine receptor D2 by displacement of [3H]-U-86,170.More data for this Ligand-Target Pair
TargetD(2) dopamine receptor(Homo sapiens (Human))
Pharmacia & Upjohn

Curated by ChEMBL
LigandPNGBDBM50056445(1,1-diethyl-3-[(8alpha)-6-methyl-9,10-didehydroerg...)
Show SMILES CCN(CC)C(=O)N[C@@H]1CN(C)[C@@H]2Cc3c[nH]c4cccc(C2=C1)c34
Show InChI InChI=1S/C20H26N4O/c1-4-24(5-2)20(25)22-14-10-16-15-7-6-8-17-19(15)13(11-21-17)9-18(16)23(3)12-14/h6-8,10-11,14,18,21H,4-5,9,12H2,1-3H3,(H,22,25)/t14-,18+/m0/s1
Affinity DataKi:  0.660nMAssay Description:Displacement of [125]iodosulpride from human recombinant dopamine D2L receptor expressed in CHO cells after 30 minsMore data for this Ligand-Target Pair
TargetD(2) dopamine receptor(Homo sapiens (Human))
Pharmacia & Upjohn

Curated by ChEMBL
LigandPNGBDBM50056445(1,1-diethyl-3-[(8alpha)-6-methyl-9,10-didehydroerg...)
Show SMILES CCN(CC)C(=O)N[C@@H]1CN(C)[C@@H]2Cc3c[nH]c4cccc(C2=C1)c34
Show InChI InChI=1S/C20H26N4O/c1-4-24(5-2)20(25)22-14-10-16-15-7-6-8-17-19(15)13(11-21-17)9-18(16)23(3)12-14/h6-8,10-11,14,18,21H,4-5,9,12H2,1-3H3,(H,22,25)/t14-,18+/m0/s1
Affinity DataKi:  0.800nMAssay Description:Affinity towards Dopamine receptor D2More data for this Ligand-Target Pair
TargetD(3) dopamine receptor(Homo sapiens (Human))
Pharmacia & Upjohn

Curated by ChEMBL
LigandPNGBDBM50056445(1,1-diethyl-3-[(8alpha)-6-methyl-9,10-didehydroerg...)
Show SMILES CCN(CC)C(=O)N[C@@H]1CN(C)[C@@H]2Cc3c[nH]c4cccc(C2=C1)c34
Show InChI InChI=1S/C20H26N4O/c1-4-24(5-2)20(25)22-14-10-16-15-7-6-8-17-19(15)13(11-21-17)9-18(16)23(3)12-14/h6-8,10-11,14,18,21H,4-5,9,12H2,1-3H3,(H,22,25)/t14-,18+/m0/s1
Affinity DataKi:  1.70nMAssay Description:Binding affinity towards Dopamine receptor D3 by displacement of [3H]-(+)-7-OH-DPAT.More data for this Ligand-Target Pair
TargetD(1A) dopamine receptor(Homo sapiens (Human))
University of Texas at Austin

Curated by ChEMBL
LigandPNGBDBM50056445(1,1-diethyl-3-[(8alpha)-6-methyl-9,10-didehydroerg...)
Show SMILES CCN(CC)C(=O)N[C@@H]1CN(C)[C@@H]2Cc3c[nH]c4cccc(C2=C1)c34
Show InChI InChI=1S/C20H26N4O/c1-4-24(5-2)20(25)22-14-10-16-15-7-6-8-17-19(15)13(11-21-17)9-18(16)23(3)12-14/h6-8,10-11,14,18,21H,4-5,9,12H2,1-3H3,(H,22,25)/t14-,18+/m0/s1
Affinity DataKi:  77nMAssay Description:Affinity towards Dopamine receptor D1More data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 2A(Homo sapiens (Human))
Cerebrus Ltd

Curated by PDSP Ki Database
LigandPNGBDBM50056445(1,1-diethyl-3-[(8alpha)-6-methyl-9,10-didehydroerg...)
Show SMILES CCN(CC)C(=O)N[C@@H]1CN(C)[C@@H]2Cc3c[nH]c4cccc(C2=C1)c34
Show InChI InChI=1S/C20H26N4O/c1-4-24(5-2)20(25)22-14-10-16-15-7-6-8-17-19(15)13(11-21-17)9-18(16)23(3)12-14/h6-8,10-11,14,18,21H,4-5,9,12H2,1-3H3,(H,22,25)/t14-,18+/m0/s1
Affinity DataKi:  6.92E+3nMMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 1D(Sus scrofa)
SmithKline Beecham Pharmaceuticals Ltd

Curated by ChEMBL
LigandPNGBDBM50056445(1,1-diethyl-3-[(8alpha)-6-methyl-9,10-didehydroerg...)
Show SMILES CCN(CC)C(=O)N[C@@H]1CN(C)[C@@H]2Cc3c[nH]c4cccc(C2=C1)c34
Show InChI InChI=1S/C20H26N4O/c1-4-24(5-2)20(25)22-14-10-16-15-7-6-8-17-19(15)13(11-21-17)9-18(16)23(3)12-14/h6-8,10-11,14,18,21H,4-5,9,12H2,1-3H3,(H,22,25)/t14-,18+/m0/s1
Affinity DataKd:  10nMAssay Description:Binding affinity for 5-hydroxytryptamine 1D receptor in piglet caudate using [3H]5-HTMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 2A/2B/2C(Rattus norvegicus (rat))
SmithKline Beecham Pharmaceuticals Ltd

Curated by ChEMBL
LigandPNGBDBM50056445(1,1-diethyl-3-[(8alpha)-6-methyl-9,10-didehydroerg...)
Show SMILES CCN(CC)C(=O)N[C@@H]1CN(C)[C@@H]2Cc3c[nH]c4cccc(C2=C1)c34
Show InChI InChI=1S/C20H26N4O/c1-4-24(5-2)20(25)22-14-10-16-15-7-6-8-17-19(15)13(11-21-17)9-18(16)23(3)12-14/h6-8,10-11,14,18,21H,4-5,9,12H2,1-3H3,(H,22,25)/t14-,18+/m0/s1
Affinity DataKd: >5.01E+3nMAssay Description:Binding affinity for 5-hydroxytryptamine 2 receptor in rat cortex using [3H]- ketanserinMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 2C(Homo sapiens (Human))
SmithKline Beecham Pharmaceuticals Ltd

Curated by ChEMBL
LigandPNGBDBM50056445(1,1-diethyl-3-[(8alpha)-6-methyl-9,10-didehydroerg...)
Show SMILES CCN(CC)C(=O)N[C@@H]1CN(C)[C@@H]2Cc3c[nH]c4cccc(C2=C1)c34
Show InChI InChI=1S/C20H26N4O/c1-4-24(5-2)20(25)22-14-10-16-15-7-6-8-17-19(15)13(11-21-17)9-18(16)23(3)12-14/h6-8,10-11,14,18,21H,4-5,9,12H2,1-3H3,(H,22,25)/t14-,18+/m0/s1
Affinity DataKd:  5.01E+4nMAssay Description:Binding affinity for 5-hydroxytryptamine 1C receptor in piglet choroid plexus using [3H]5-HTMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 1A(Homo sapiens (Human))
Pharmacia & Upjohn

Curated by ChEMBL
LigandPNGBDBM50056445(1,1-diethyl-3-[(8alpha)-6-methyl-9,10-didehydroerg...)
Show SMILES CCN(CC)C(=O)N[C@@H]1CN(C)[C@@H]2Cc3c[nH]c4cccc(C2=C1)c34
Show InChI InChI=1S/C20H26N4O/c1-4-24(5-2)20(25)22-14-10-16-15-7-6-8-17-19(15)13(11-21-17)9-18(16)23(3)12-14/h6-8,10-11,14,18,21H,4-5,9,12H2,1-3H3,(H,22,25)/t14-,18+/m0/s1
Affinity DataKd:  501nMAssay Description:Binding affinity for 5-hydroxytryptamine 1A receptor in piglet hippocampus using [3H]8-OH-DPATMore data for this Ligand-Target Pair
TargetD(2) dopamine receptor(Rattus norvegicus (rat))
University of Texas

Curated by ChEMBL
LigandPNGBDBM50056445(1,1-diethyl-3-[(8alpha)-6-methyl-9,10-didehydroerg...)
Show SMILES CCN(CC)C(=O)N[C@@H]1CN(C)[C@@H]2Cc3c[nH]c4cccc(C2=C1)c34
Show InChI InChI=1S/C20H26N4O/c1-4-24(5-2)20(25)22-14-10-16-15-7-6-8-17-19(15)13(11-21-17)9-18(16)23(3)12-14/h6-8,10-11,14,18,21H,4-5,9,12H2,1-3H3,(H,22,25)/t14-,18+/m0/s1
Affinity DataKd:  0.600nMAssay Description:In vitro affinity at wild type Dopamine receptor D2 on C6 (glioma) cell membranes.More data for this Ligand-Target Pair
TargetD(2) dopamine receptor(Rattus norvegicus (rat))
University of Texas

Curated by ChEMBL
LigandPNGBDBM50056445(1,1-diethyl-3-[(8alpha)-6-methyl-9,10-didehydroerg...)
Show SMILES CCN(CC)C(=O)N[C@@H]1CN(C)[C@@H]2Cc3c[nH]c4cccc(C2=C1)c34
Show InChI InChI=1S/C20H26N4O/c1-4-24(5-2)20(25)22-14-10-16-15-7-6-8-17-19(15)13(11-21-17)9-18(16)23(3)12-14/h6-8,10-11,14,18,21H,4-5,9,12H2,1-3H3,(H,22,25)/t14-,18+/m0/s1
Affinity DataKd:  0.400nMAssay Description:In vitro affinity at mutant D2 receptor (S197A) in C6 (glioma) cell membranes.More data for this Ligand-Target Pair
TargetD(2) dopamine receptor(Rattus norvegicus (rat))
University of Texas

Curated by ChEMBL
LigandPNGBDBM50056445(1,1-diethyl-3-[(8alpha)-6-methyl-9,10-didehydroerg...)
Show SMILES CCN(CC)C(=O)N[C@@H]1CN(C)[C@@H]2Cc3c[nH]c4cccc(C2=C1)c34
Show InChI InChI=1S/C20H26N4O/c1-4-24(5-2)20(25)22-14-10-16-15-7-6-8-17-19(15)13(11-21-17)9-18(16)23(3)12-14/h6-8,10-11,14,18,21H,4-5,9,12H2,1-3H3,(H,22,25)/t14-,18+/m0/s1
Affinity DataKd:  2.30nMAssay Description:In vitro affinity at mutant D2 receptor (S194A) in C6 (glioma) cell membranes.More data for this Ligand-Target Pair
TargetD(4) dopamine receptor(Homo sapiens (Human))
University of Pennsylvania

Curated by ChEMBL
LigandPNGBDBM50056445(1,1-diethyl-3-[(8alpha)-6-methyl-9,10-didehydroerg...)
Show SMILES CCN(CC)C(=O)N[C@@H]1CN(C)[C@@H]2Cc3c[nH]c4cccc(C2=C1)c34
Show InChI InChI=1S/C20H26N4O/c1-4-24(5-2)20(25)22-14-10-16-15-7-6-8-17-19(15)13(11-21-17)9-18(16)23(3)12-14/h6-8,10-11,14,18,21H,4-5,9,12H2,1-3H3,(H,22,25)/t14-,18+/m0/s1
Affinity DataEC50:  89nMAssay Description:Agonist activity at recombinant human D4 receptor expressed in CHOK1 cells assessed as induction of beta arrestin2 recruitment measured after 30 mins...More data for this Ligand-Target Pair
TargetD(2) dopamine receptor(Rattus norvegicus (rat))
University of Texas

Curated by ChEMBL
LigandPNGBDBM50056445(1,1-diethyl-3-[(8alpha)-6-methyl-9,10-didehydroerg...)
Show SMILES CCN(CC)C(=O)N[C@@H]1CN(C)[C@@H]2Cc3c[nH]c4cccc(C2=C1)c34
Show InChI InChI=1S/C20H26N4O/c1-4-24(5-2)20(25)22-14-10-16-15-7-6-8-17-19(15)13(11-21-17)9-18(16)23(3)12-14/h6-8,10-11,14,18,21H,4-5,9,12H2,1-3H3,(H,22,25)/t14-,18+/m0/s1
Affinity DataKd:  0.300nMAssay Description:In vitro affinity at mutant D2 receptor (S194A) in C6 (glioma) cell membranes.More data for this Ligand-Target Pair