SMILES String Search

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 312.4
BDBM50035333

Wt: 312.4
BDBM50044237

Wt: 312.4
BDBM50044238

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 13 hits in this display
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
5-hydroxytryptamine receptor 1A (Mus musculus (Mouse))	BDBM50044238 (CHEMBL63449 \| S-(-)-1-(8-Dipropylamino-6,7,8,9-tet...) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Göteborg Curated by ChEMBL					Assay Description In vitro binding affinity against 5-hydroxytryptamine 1A receptor using [3H]-8-OH-DPAT as radioligand in CHO-cells (sc)				J Med Chem 36: 2059-65 (1993) BindingDB Entry DOI: 10.7270/Q2MP52CR
University of Göteborg Curated by ChEMBL					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Mus musculus (Mouse))	BDBM50044237 (CHEMBL65274 \| R-(+)-1-(8-Dipropylamino-6,7,8,9-tet...) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Göteborg Curated by ChEMBL					Assay Description In vitro binding affinity against 5-hydroxytryptamine 1A receptor using [3H]-8-OH-DPAT as radioligand in CHO-cells (sc)				J Med Chem 36: 2059-65 (1993) BindingDB Entry DOI: 10.7270/Q2MP52CR
University of Göteborg Curated by ChEMBL					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50044237 (CHEMBL65274 \| R-(+)-1-(8-Dipropylamino-6,7,8,9-tet...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Göteborg Curated by ChEMBL					Assay Description In vitro binding affinity against 5-hydroxytryptamine 1A receptor using [3H]-8-OH-DPAT				J Med Chem 36: 2059-65 (1993) BindingDB Entry DOI: 10.7270/Q2MP52CR
University of Göteborg Curated by ChEMBL					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50044238 (CHEMBL63449 \| S-(-)-1-(8-Dipropylamino-6,7,8,9-tet...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Göteborg Curated by ChEMBL					Assay Description In vitro binding affinity against 5-hydroxytryptamine 1A receptor using [3H]-8-OH-DPAT				J Med Chem 36: 2059-65 (1993) BindingDB Entry DOI: 10.7270/Q2MP52CR
University of Göteborg Curated by ChEMBL					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50035333 (1-(8-Dipropylamino-6,7,8,9-tetrahydro-3H-benzo[e]i...) Show SMILES CCCN(CCC)C1CCc2ccc3[nH]cc(C(C)=O)c3c2C1 Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Göteborg University Curated by ChEMBL					Assay Description Binding affinity against 5-hydroxytryptamine 1A receptor from CHO-K1 cells, using [3H]-8-OH-DPAT as the radioligand.				J Med Chem 38: 2202-16 (1995) BindingDB Entry DOI: 10.7270/Q24T6HD0
Göteborg University Curated by ChEMBL					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50044237 (CHEMBL65274 \| R-(+)-1-(8-Dipropylamino-6,7,8,9-tet...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Göteborg Curated by ChEMBL					Assay Description In vitro binding affinity against dopamine receptor D2 using [3H]-Raclopride as radioligand in CHO-cells (sc)				J Med Chem 36: 2059-65 (1993) BindingDB Entry DOI: 10.7270/Q2MP52CR
University of Göteborg Curated by ChEMBL					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1D (Homo sapiens (Human))	BDBM50035333 (1-(8-Dipropylamino-6,7,8,9-tetrahydro-3H-benzo[e]i...) Show SMILES CCCN(CCC)C1CCc2ccc3[nH]cc(C(C)=O)c3c2C1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	108	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Göteborg University Curated by ChEMBL					Assay Description Binding affinity against 5-hydroxytryptamine 1D receptor alpha expressed in CHO-K1 cells, using [3H]-5-HT as the radioligand.				J Med Chem 38: 2202-16 (1995) BindingDB Entry DOI: 10.7270/Q24T6HD0
Göteborg University Curated by ChEMBL					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50035333 (1-(8-Dipropylamino-6,7,8,9-tetrahydro-3H-benzo[e]i...) Show SMILES CCCN(CCC)C1CCc2ccc3[nH]cc(C(C)=O)c3c2C1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	206	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Göteborg University Curated by ChEMBL					Assay Description Binding affinity against Dopamine receptor D2 expressed in CHO-K1 cells, using [3H]-U-86,170 as the radioligand.				J Med Chem 38: 2202-16 (1995) BindingDB Entry DOI: 10.7270/Q24T6HD0
Göteborg University Curated by ChEMBL					More data for this Ligand-Target Pair
D(3) dopamine receptor (Rattus norvegicus (Rat))	BDBM50035333 (1-(8-Dipropylamino-6,7,8,9-tetrahydro-3H-benzo[e]i...) Show SMILES CCCN(CCC)C1CCc2ccc3[nH]cc(C(C)=O)c3c2C1 Show InChI	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	320	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Göteborg University Curated by ChEMBL					Assay Description Binding affinity against Dopamine receptor D3 expressed in CHO-K1 cells, using [3H]-spiperone as the radioligand.				J Med Chem 38: 2202-16 (1995) BindingDB Entry DOI: 10.7270/Q24T6HD0
Göteborg University Curated by ChEMBL					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50044237 (CHEMBL65274 \| R-(+)-1-(8-Dipropylamino-6,7,8,9-tet...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	382	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Göteborg Curated by ChEMBL					Assay Description Displacement of [3H]-spiperone from dopamine receptor D2				J Med Chem 36: 2059-65 (1993) BindingDB Entry DOI: 10.7270/Q2MP52CR
University of Göteborg Curated by ChEMBL					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50044238 (CHEMBL63449 \| S-(-)-1-(8-Dipropylamino-6,7,8,9-tet...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	423	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Göteborg Curated by ChEMBL					Assay Description In vitro binding affinity against dopamine receptor D2 using [3H]-Raclopride as radioligand in CHO-cells (sc)				J Med Chem 36: 2059-65 (1993) BindingDB Entry DOI: 10.7270/Q2MP52CR
University of Göteborg Curated by ChEMBL					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1B (Homo sapiens (Human))	BDBM50035333 (1-(8-Dipropylamino-6,7,8,9-tetrahydro-3H-benzo[e]i...) Show SMILES CCCN(CCC)C1CCc2ccc3[nH]cc(C(C)=O)c3c2C1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	587	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Göteborg University Curated by ChEMBL					Assay Description Binding affinity against 5-hydroxytryptamine 1D receptor beta expressed in CHO-K1 cells, using [3H]-5-HT as the radioligand.				J Med Chem 38: 2202-16 (1995) BindingDB Entry DOI: 10.7270/Q24T6HD0
Göteborg University Curated by ChEMBL					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50044238 (CHEMBL63449 \| S-(-)-1-(8-Dipropylamino-6,7,8,9-tet...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.59E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Göteborg Curated by ChEMBL					Assay Description Displacement of [3H]-spiperone from dopamine receptor D2				J Med Chem 36: 2059-65 (1993) BindingDB Entry DOI: 10.7270/Q2MP52CR
University of Göteborg Curated by ChEMBL					More data for this Ligand-Target Pair