BDBM50176269 (S)-N-(1-(1H-pyrrolo[2,3-f]quinolin-1-yl)propan-2-yl)prop-2-en-1-amine::CHEMBL202324

SMILES: C[C@@H](Cn1ccc2ccc3ncccc3c12)NCC=C

InChI Key: InChIKey=QEQBGMMNBYPMCR-ZDUSSCGKSA-N

Data: 3 KI  3 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 6 hits for monomerid = 50176269   

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 2C (Homo sapiens (Human))	BDBM50176269 ((S)-N-(1-(1H-pyrrolo[2,3-f]quinolin-1-yl)propan-2-...) Show SMILES C[C@@H](Cn1ccc2ccc3ncccc3c12)NCC=C Show InChI InChI=1S/C17H19N3/c1-3-9-18-13(2)12-20-11-8-14-6-7-16-15(17(14)20)5-4-10-19-16/h3-8,10-11,13,18H,1,9,12H2,2H3/t13-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	86	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis plc Curated by ChEMBL					Assay Description Displacement of [3H]5HT from human 5HT2C				Bioorg Med Chem Lett 16: 677-80 (2005) Article DOI: 10.1016/j.bmcl.2005.10.029 BindingDB Entry DOI: 10.7270/Q2QV3M27
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2B (Homo sapiens (Human))	BDBM50176269 ((S)-N-(1-(1H-pyrrolo[2,3-f]quinolin-1-yl)propan-2-...) Show SMILES C[C@@H](Cn1ccc2ccc3ncccc3c12)NCC=C Show InChI InChI=1S/C17H19N3/c1-3-9-18-13(2)12-20-11-8-14-6-7-16-15(17(14)20)5-4-10-19-16/h3-8,10-11,13,18H,1,9,12H2,2H3/t13-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	455	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis plc Curated by ChEMBL					Assay Description Displacement of [3H]5HT from human 5HT2B				Bioorg Med Chem Lett 16: 677-80 (2005) Article DOI: 10.1016/j.bmcl.2005.10.029 BindingDB Entry DOI: 10.7270/Q2QV3M27
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50176269 ((S)-N-(1-(1H-pyrrolo[2,3-f]quinolin-1-yl)propan-2-...) Show SMILES C[C@@H](Cn1ccc2ccc3ncccc3c12)NCC=C Show InChI InChI=1S/C17H19N3/c1-3-9-18-13(2)12-20-11-8-14-6-7-16-15(17(14)20)5-4-10-19-16/h3-8,10-11,13,18H,1,9,12H2,2H3/t13-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.16E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis plc Curated by ChEMBL					Assay Description Displacement of [125I]DOI from human 5HT2A				Bioorg Med Chem Lett 16: 677-80 (2005) Article DOI: 10.1016/j.bmcl.2005.10.029 BindingDB Entry DOI: 10.7270/Q2QV3M27
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50176269 ((S)-N-(1-(1H-pyrrolo[2,3-f]quinolin-1-yl)propan-2-...) Show SMILES C[C@@H](Cn1ccc2ccc3ncccc3c12)NCC=C Show InChI InChI=1S/C17H19N3/c1-3-9-18-13(2)12-20-11-8-14-6-7-16-15(17(14)20)5-4-10-19-16/h3-8,10-11,13,18H,1,9,12H2,2H3/t13-/m0/s1	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	257	n/a	n/a	n/a	n/a
Vernalis plc Curated by ChEMBL					Assay Description Binding to human 5HT2C receptor expressed in CHO cells				Bioorg Med Chem Lett 16: 677-80 (2005) Article DOI: 10.1016/j.bmcl.2005.10.029 BindingDB Entry DOI: 10.7270/Q2QV3M27
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50176269 ((S)-N-(1-(1H-pyrrolo[2,3-f]quinolin-1-yl)propan-2-...) Show SMILES C[C@@H](Cn1ccc2ccc3ncccc3c12)NCC=C Show InChI InChI=1S/C17H19N3/c1-3-9-18-13(2)12-20-11-8-14-6-7-16-15(17(14)20)5-4-10-19-16/h3-8,10-11,13,18H,1,9,12H2,2H3/t13-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	777	n/a	n/a	n/a	n/a
Vernalis plc Curated by ChEMBL					Assay Description Binding to human 5HT2A receptor expressed in CHO cells				Bioorg Med Chem Lett 16: 677-80 (2005) Article DOI: 10.1016/j.bmcl.2005.10.029 BindingDB Entry DOI: 10.7270/Q2QV3M27
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2B (Homo sapiens (Human))	BDBM50176269 ((S)-N-(1-(1H-pyrrolo[2,3-f]quinolin-1-yl)propan-2-...) Show SMILES C[C@@H](Cn1ccc2ccc3ncccc3c12)NCC=C Show InChI InChI=1S/C17H19N3/c1-3-9-18-13(2)12-20-11-8-14-6-7-16-15(17(14)20)5-4-10-19-16/h3-8,10-11,13,18H,1,9,12H2,2H3/t13-/m0/s1	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	91	n/a	n/a	n/a	n/a
Vernalis plc Curated by ChEMBL					Assay Description Binding to human 5HT2B receptor expressed in CHO cells				Bioorg Med Chem Lett 16: 677-80 (2005) Article DOI: 10.1016/j.bmcl.2005.10.029 BindingDB Entry DOI: 10.7270/Q2QV3M27
					More data for this Ligand-Target Pair