BDBM50035303 (R)-8-Dipropylamino-6,7,8,9-tetrahydro-3H-benzo[e]indole-1-carbaldehyde::CHEMBL71625

SMILES: CCCN(CCC)[C@@H]1CCc2ccc3[nH]cc(C=O)c3c2C1

InChI Key: InChIKey=DSEPKSLFXGYPIU-MRXNPFEDSA-N

Data: 10 KI

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 10 hits for monomerid = 50035303   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50035303 ((R)-8-Dipropylamino-6,7,8,9-tetrahydro-3H-benzo[e]...) Show SMILES CCCN(CCC)[C@@H]1CCc2ccc3[nH]cc(C=O)c3c2C1 Show InChI InChI=1S/C19H26N2O/c1-3-9-21(10-4-2)16-7-5-14-6-8-18-19(17(14)11-16)15(13-22)12-20-18/h6,8,12-13,16,20H,3-5,7,9-11H2,1-2H3/t16-/m1/s1	PDB KEGG 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
Upjohn Laboratories Curated by ChEMBL					Assay Description In vitro binding affinity against cloned mammalian 5-hydroxytryptamine 1A receptor expressed in CHO cells, by using [3H]8-OH-DPAT as radioligand.				J Med Chem 38: 2217-30 (1995) BindingDB Entry DOI: 10.7270/Q28G8MBW
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50035303 ((R)-8-Dipropylamino-6,7,8,9-tetrahydro-3H-benzo[e]...) Show SMILES CCCN(CCC)[C@@H]1CCc2ccc3[nH]cc(C=O)c3c2C1 Show InChI InChI=1S/C19H26N2O/c1-3-9-21(10-4-2)16-7-5-14-6-8-18-19(17(14)11-16)15(13-22)12-20-18/h6,8,12-13,16,20H,3-5,7,9-11H2,1-2H3/t16-/m1/s1	PDB KEGG 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
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
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50035303 ((R)-8-Dipropylamino-6,7,8,9-tetrahydro-3H-benzo[e]...) Show SMILES CCCN(CCC)[C@@H]1CCc2ccc3[nH]cc(C=O)c3c2C1 Show InChI InChI=1S/C19H26N2O/c1-3-9-21(10-4-2)16-7-5-14-6-8-18-19(17(14)11-16)15(13-22)12-20-18/h6,8,12-13,16,20H,3-5,7,9-11H2,1-2H3/t16-/m1/s1	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
Göteborg University Curated by ChEMBL					Assay Description Displacement of the radioligand [3H]-8-OH-DPAT from 5-hydroxytryptamine 1A receptor				J Med Chem 37: 3263-73 (1994) BindingDB Entry DOI: 10.7270/Q21R6PJ7
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50035303 ((R)-8-Dipropylamino-6,7,8,9-tetrahydro-3H-benzo[e]...) Show SMILES CCCN(CCC)[C@@H]1CCc2ccc3[nH]cc(C=O)c3c2C1 Show InChI InChI=1S/C19H26N2O/c1-3-9-21(10-4-2)16-7-5-14-6-8-18-19(17(14)11-16)15(13-22)12-20-18/h6,8,12-13,16,20H,3-5,7,9-11H2,1-2H3/t16-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt 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
Göteborg University Curated by ChEMBL					Assay Description Binding affinity against Dopamine receptor D2 from CHO-K1 cells, using [3H]-U-86,170 as the radioligand.				J Med Chem 38: 2202-16 (1995) BindingDB Entry DOI: 10.7270/Q24T6HD0
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50035303 ((R)-8-Dipropylamino-6,7,8,9-tetrahydro-3H-benzo[e]...) Show SMILES CCCN(CCC)[C@@H]1CCc2ccc3[nH]cc(C=O)c3c2C1 Show InChI InChI=1S/C19H26N2O/c1-3-9-21(10-4-2)16-7-5-14-6-8-18-19(17(14)11-16)15(13-22)12-20-18/h6,8,12-13,16,20H,3-5,7,9-11H2,1-2H3/t16-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt 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
Upjohn Laboratories Curated by ChEMBL					Assay Description In vitro binding affinity against cloned mammalian Dopamine receptor D2 expressed in CHO cells using [3H]U-86170 as radioligand				J Med Chem 38: 2217-30 (1995) BindingDB Entry DOI: 10.7270/Q28G8MBW
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1D (Homo sapiens (Human))	BDBM50035303 ((R)-8-Dipropylamino-6,7,8,9-tetrahydro-3H-benzo[e]...) Show SMILES CCCN(CCC)[C@@H]1CCc2ccc3[nH]cc(C=O)c3c2C1 Show InChI InChI=1S/C19H26N2O/c1-3-9-21(10-4-2)16-7-5-14-6-8-18-19(17(14)11-16)15(13-22)12-20-18/h6,8,12-13,16,20H,3-5,7,9-11H2,1-2H3/t16-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	31	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
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Rattus norvegicus (Rat))	BDBM50035303 ((R)-8-Dipropylamino-6,7,8,9-tetrahydro-3H-benzo[e]...) Show SMILES CCCN(CCC)[C@@H]1CCc2ccc3[nH]cc(C=O)c3c2C1 Show InChI InChI=1S/C19H26N2O/c1-3-9-21(10-4-2)16-7-5-14-6-8-18-19(17(14)11-16)15(13-22)12-20-18/h6,8,12-13,16,20H,3-5,7,9-11H2,1-2H3/t16-/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	51	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 from CHO-K1 cells, using [3H]-spiperone as the radioligand.				J Med Chem 38: 2202-16 (1995) BindingDB Entry DOI: 10.7270/Q24T6HD0
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Rattus norvegicus (Rat))	BDBM50035303 ((R)-8-Dipropylamino-6,7,8,9-tetrahydro-3H-benzo[e]...) Show SMILES CCCN(CCC)[C@@H]1CCc2ccc3[nH]cc(C=O)c3c2C1 Show InChI InChI=1S/C19H26N2O/c1-3-9-21(10-4-2)16-7-5-14-6-8-18-19(17(14)11-16)15(13-22)12-20-18/h6,8,12-13,16,20H,3-5,7,9-11H2,1-2H3/t16-/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	51	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Upjohn Laboratories Curated by ChEMBL					Assay Description In vitro binding affinity against cloned mammalian Dopamine receptor D3 expressed in CHO cells by, using [3H]-spiperone as radioligand				J Med Chem 38: 2217-30 (1995) BindingDB Entry DOI: 10.7270/Q28G8MBW
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1B (Homo sapiens (Human))	BDBM50035303 ((R)-8-Dipropylamino-6,7,8,9-tetrahydro-3H-benzo[e]...) Show SMILES CCCN(CCC)[C@@H]1CCc2ccc3[nH]cc(C=O)c3c2C1 Show InChI InChI=1S/C19H26N2O/c1-3-9-21(10-4-2)16-7-5-14-6-8-18-19(17(14)11-16)15(13-22)12-20-18/h6,8,12-13,16,20H,3-5,7,9-11H2,1-2H3/t16-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	210	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
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50035303 ((R)-8-Dipropylamino-6,7,8,9-tetrahydro-3H-benzo[e]...) Show SMILES CCCN(CCC)[C@@H]1CCc2ccc3[nH]cc(C=O)c3c2C1 Show InChI InChI=1S/C19H26N2O/c1-3-9-21(10-4-2)16-7-5-14-6-8-18-19(17(14)11-16)15(13-22)12-20-18/h6,8,12-13,16,20H,3-5,7,9-11H2,1-2H3/t16-/m1/s1	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
Göteborg University Curated by ChEMBL					Assay Description Displacement of the radioligand [3H]-spiperone from D2 receptor				J Med Chem 37: 3263-73 (1994) BindingDB Entry DOI: 10.7270/Q21R6PJ7
					More data for this Ligand-Target Pair