BDBM50267832 1-[4-(3,4-Dihydroisoquinolin-2(1H)-yl)butyl]-1,3-dihydro-2Hindol-2-one::CHEMBL445334

SMILES: O=C1Cc2ccccc2N1CCCCN1CCc2ccccc2C1

InChI Key: InChIKey=ZKQSMCWUMUQKCC-UHFFFAOYSA-N

Data: 6 KI  1 EC50

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 7 hits for monomerid = 50267832   

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 7 (Homo sapiens (Human))	BDBM50267832 (1-[4-(3,4-Dihydroisoquinolin-2(1H)-yl)butyl]-1,3-d...) Show SMILES O=C1Cc2ccccc2N1CCCCN1CCc2ccccc2C1 Show InChI InChI=1S/C21H24N2O/c24-21-15-18-8-3-4-10-20(18)23(21)13-6-5-12-22-14-11-17-7-1-2-9-19(17)16-22/h1-4,7-10H,5-6,11-16H2	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Catania Curated by ChEMBL					Assay Description Displacement of [3H]5-HT from human 5HT7 receptor transfected in CFO-K1 cells after 30 mins by liquid scintillation spectrometry				Eur J Med Chem 85: 716-26 (2014) Article DOI: 10.1016/j.ejmech.2014.08.023 BindingDB Entry DOI: 10.7270/Q2DZ09Z8
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 7 (Homo sapiens (Human))	BDBM50267832 (1-[4-(3,4-Dihydroisoquinolin-2(1H)-yl)butyl]-1,3-d...) Show SMILES O=C1Cc2ccccc2N1CCCCN1CCc2ccccc2C1 Show InChI InChI=1S/C21H24N2O/c24-21-15-18-8-3-4-10-20(18)23(21)13-6-5-12-22-14-11-17-7-1-2-9-19(17)16-22/h1-4,7-10H,5-6,11-16H2	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad Complutense de Madrid Curated by ChEMBL					Assay Description Displacement of [3H]LSD from human 5-HT7 expressed in HEK-293 cells after 120 mins by scintillation spectrometry				J Med Chem 57: 6879-84 (2014) Article DOI: 10.1021/jm500880c BindingDB Entry DOI: 10.7270/Q2J104TB
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 7 (Homo sapiens (Human))	BDBM50267832 (1-[4-(3,4-Dihydroisoquinolin-2(1H)-yl)butyl]-1,3-d...) Show SMILES O=C1Cc2ccccc2N1CCCCN1CCc2ccccc2C1 Show InChI InChI=1S/C21H24N2O/c24-21-15-18-8-3-4-10-20(18)23(21)13-6-5-12-22-14-11-17-7-1-2-9-19(17)16-22/h1-4,7-10H,5-6,11-16H2	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad Complutense de Madrid Curated by ChEMBL					Assay Description Displacement of [3H]LSD from human recombinant 5HT7 receptor expressed in CHOK1 cells				J Med Chem 52: 2384-92 (2009) Article DOI: 10.1021/jm8014553 BindingDB Entry DOI: 10.7270/Q2B8580P
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50267832 (1-[4-(3,4-Dihydroisoquinolin-2(1H)-yl)butyl]-1,3-d...) Show SMILES O=C1Cc2ccccc2N1CCCCN1CCc2ccccc2C1 Show InChI InChI=1S/C21H24N2O/c24-21-15-18-8-3-4-10-20(18)23(21)13-6-5-12-22-14-11-17-7-1-2-9-19(17)16-22/h1-4,7-10H,5-6,11-16H2	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	219	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad Complutense de Madrid Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from human recombinant 5HT1A receptor expressed in HEK293 cells				J Med Chem 52: 2384-92 (2009) Article DOI: 10.1021/jm8014553 BindingDB Entry DOI: 10.7270/Q2B8580P
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50267832 (1-[4-(3,4-Dihydroisoquinolin-2(1H)-yl)butyl]-1,3-d...) Show SMILES O=C1Cc2ccccc2N1CCCCN1CCc2ccccc2C1 Show InChI InChI=1S/C21H24N2O/c24-21-15-18-8-3-4-10-20(18)23(21)13-6-5-12-22-14-11-17-7-1-2-9-19(17)16-22/h1-4,7-10H,5-6,11-16H2	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	219	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad Complutense de Madrid Curated by ChEMBL					Assay Description Displacement of [3H]-8-OH-DPAT from human 5-HT1A expressed in CHO-K1 cells after 120 mins by scintillation spectrometry				J Med Chem 57: 6879-84 (2014) Article DOI: 10.1021/jm500880c BindingDB Entry DOI: 10.7270/Q2J104TB
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50267832 (1-[4-(3,4-Dihydroisoquinolin-2(1H)-yl)butyl]-1,3-d...) Show SMILES O=C1Cc2ccccc2N1CCCCN1CCc2ccccc2C1 Show InChI InChI=1S/C21H24N2O/c24-21-15-18-8-3-4-10-20(18)23(21)13-6-5-12-22-14-11-17-7-1-2-9-19(17)16-22/h1-4,7-10H,5-6,11-16H2	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	219	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Catania Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from human 5-HT1A receptor transfected in CFO-K1 cells after 30 mins by liquid scintillation spectrometry				Eur J Med Chem 85: 716-26 (2014) Article DOI: 10.1016/j.ejmech.2014.08.023 BindingDB Entry DOI: 10.7270/Q2DZ09Z8
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 7 (Homo sapiens (Human))	BDBM50267832 (1-[4-(3,4-Dihydroisoquinolin-2(1H)-yl)butyl]-1,3-d...) Show SMILES O=C1Cc2ccccc2N1CCCCN1CCc2ccccc2C1 Show InChI InChI=1S/C21H24N2O/c24-21-15-18-8-3-4-10-20(18)23(21)13-6-5-12-22-14-11-17-7-1-2-9-19(17)16-22/h1-4,7-10H,5-6,11-16H2	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	310	n/a	n/a	n/a	n/a
Universidad Complutense de Madrid Curated by ChEMBL					Assay Description Agonist activity at human recombinant 5HT7 receptor expressed in CHOK1 cells assessed as increase in cAMP levels by HTRF assay				J Med Chem 52: 2384-92 (2009) Article DOI: 10.1021/jm8014553 BindingDB Entry DOI: 10.7270/Q2B8580P
					More data for this Ligand-Target Pair