BindingDB PrimarySearch

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: 1 PDB ID matches this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 16 hits for monomerid = 50056445
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50056445 (1,1-diethyl-3-[(8alpha)-6-methyl-9,10-didehydroerg...) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars	Article PubMed	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacia & Upjohn Curated by ChEMBL					Assay Description Binding affinity towards Serotonin 5-hydroxytryptamine 1A receptor by displacement of [3H]-(+)-8-OH-DPAT.				J Med Chem 40: 639-46 (1997) Article DOI: 10.1021/jm960360q BindingDB Entry DOI: 10.7270/Q29P30R9
Pharmacia & Upjohn Curated by ChEMBL					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50056445 (1,1-diethyl-3-[(8alpha)-6-methyl-9,10-didehydroerg...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacia & Upjohn Curated by ChEMBL					Assay Description Binding affinity towards Dopamine receptor D2 by displacement of [3H]-U-86,170.				J Med Chem 40: 639-46 (1997) Article DOI: 10.1021/jm960360q BindingDB Entry DOI: 10.7270/Q29P30R9
Pharmacia & Upjohn Curated by ChEMBL					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50056445 (1,1-diethyl-3-[(8alpha)-6-methyl-9,10-didehydroerg...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	0.660	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Displacement of [125]iodosulpride from human recombinant dopamine D2L receptor expressed in CHO cells after 30 mins				J Med Chem 57: 5823-8 (2014) Article DOI: 10.1021/jm5003759 BindingDB Entry DOI: 10.7270/Q2D79D04
University of Copenhagen Curated by ChEMBL					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50056445 (1,1-diethyl-3-[(8alpha)-6-methyl-9,10-didehydroerg...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	0.800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Texas at Austin Curated by ChEMBL					Assay Description Affinity towards Dopamine receptor D2				J Med Chem 41: 4385-99 (1998) Article DOI: 10.1021/jm9800292 BindingDB Entry DOI: 10.7270/Q2R21227
University of Texas at Austin Curated by ChEMBL					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50056445 (1,1-diethyl-3-[(8alpha)-6-methyl-9,10-didehydroerg...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars	Article PubMed	1.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacia & Upjohn Curated by ChEMBL					Assay Description Binding affinity towards Dopamine receptor D3 by displacement of [3H]-(+)-7-OH-DPAT.				J Med Chem 40: 639-46 (1997) Article DOI: 10.1021/jm960360q BindingDB Entry DOI: 10.7270/Q29P30R9
Pharmacia & Upjohn Curated by ChEMBL					More data for this Ligand-Target Pair
D(1A) dopamine receptor (Homo sapiens (Human))	BDBM50056445 (1,1-diethyl-3-[(8alpha)-6-methyl-9,10-didehydroerg...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	77	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Texas at Austin Curated by ChEMBL					Assay Description Affinity towards Dopamine receptor D1				J Med Chem 41: 4385-99 (1998) Article DOI: 10.1021/jm9800292 BindingDB Entry DOI: 10.7270/Q2R21227
University of Texas at Austin Curated by ChEMBL					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50056445 (1,1-diethyl-3-[(8alpha)-6-methyl-9,10-didehydroerg...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars	Article PubMed	6.92E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cerebrus Ltd Curated by PDSP K_i Database									Br J Pharmacol 128: 13-20 (1999) Article DOI: 10.1038/sj.bjp.0702751 BindingDB Entry DOI: 10.7270/Q2GH9GH2
Cerebrus Ltd Curated by PDSP K_i Database					More data for this Ligand-Target Pair
Serotonin 1d (5-HT1d) receptor (Sus scrofa)	BDBM50056445 (1,1-diethyl-3-[(8alpha)-6-methyl-9,10-didehydroerg...) Show SMILES Show InChI	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity for 5-hydroxytryptamine 1D receptor in piglet caudate using [3H]5-HT				J Med Chem 36: 1918-9 (1993) Article DOI: 10.1021/jm00065a015 BindingDB Entry DOI: 10.7270/Q2JS9SNZ
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					More data for this Ligand-Target Pair
Serotonin 2 (5-HT2) receptor (Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)	BDBM50056445 (1,1-diethyl-3-[(8alpha)-6-methyl-9,10-didehydroerg...) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	>5.01E+3	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity for 5-hydroxytryptamine 2 receptor in rat cortex using [3H]- ketanserin				J Med Chem 36: 1918-9 (1993) Article DOI: 10.1021/jm00065a015 BindingDB Entry DOI: 10.7270/Q2JS9SNZ
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50056445 (1,1-diethyl-3-[(8alpha)-6-methyl-9,10-didehydroerg...) Show SMILES Show InChI	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	n/a	5.01E+4	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity for 5-hydroxytryptamine 1C receptor in piglet choroid plexus using [3H]5-HT				J Med Chem 36: 1918-9 (1993) Article DOI: 10.1021/jm00065a015 BindingDB Entry DOI: 10.7270/Q2JS9SNZ
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50056445 (1,1-diethyl-3-[(8alpha)-6-methyl-9,10-didehydroerg...) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	501	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity for 5-hydroxytryptamine 1A receptor in piglet hippocampus using [3H]8-OH-DPAT				J Med Chem 36: 1918-9 (1993) Article DOI: 10.1021/jm00065a015 BindingDB Entry DOI: 10.7270/Q2JS9SNZ
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50056445 (1,1-diethyl-3-[(8alpha)-6-methyl-9,10-didehydroerg...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a
University of Texas Curated by ChEMBL					Assay Description In vitro affinity at wild type Dopamine receptor D2 on C6 (glioma) cell membranes.				J Med Chem 43: 3005-19 (2000) BindingDB Entry DOI: 10.7270/Q24J0FS2
University of Texas Curated by ChEMBL					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50056445 (1,1-diethyl-3-[(8alpha)-6-methyl-9,10-didehydroerg...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a
University of Texas Curated by ChEMBL					Assay Description In vitro affinity at mutant D2 receptor (S197A) in C6 (glioma) cell membranes.				J Med Chem 43: 3005-19 (2000) BindingDB Entry DOI: 10.7270/Q24J0FS2
University of Texas Curated by ChEMBL					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50056445 (1,1-diethyl-3-[(8alpha)-6-methyl-9,10-didehydroerg...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	n/a	2.30	n/a	n/a	n/a	n/a	n/a
University of Texas Curated by ChEMBL					Assay Description In vitro affinity at mutant D2 receptor (S194A) in C6 (glioma) cell membranes.				J Med Chem 43: 3005-19 (2000) BindingDB Entry DOI: 10.7270/Q24J0FS2
University of Texas Curated by ChEMBL					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM50056445 (1,1-diethyl-3-[(8alpha)-6-methyl-9,10-didehydroerg...) Show SMILES Show InChI	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	n/a	n/a	89	n/a	n/a	n/a	n/a
University of Pennsylvania Curated by ChEMBL					Assay Description Agonist activity at recombinant human D4 receptor expressed in CHOK1 cells assessed as induction of beta arrestin2 recruitment measured after 30 mins...				J Med Chem 62: 5132-5147 (2019) Article DOI: 10.1021/acs.jmedchem.9b00412
University of Pennsylvania Curated by ChEMBL					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50056445 (1,1-diethyl-3-[(8alpha)-6-methyl-9,10-didehydroerg...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a
University of Texas Curated by ChEMBL					Assay Description In vitro affinity at mutant D2 receptor (S194A) in C6 (glioma) cell membranes.				J Med Chem 43: 3005-19 (2000) BindingDB Entry DOI: 10.7270/Q24J0FS2
University of Texas Curated by ChEMBL					More data for this Ligand-Target Pair