BDBM50176274 (S)-N-benzyl-1-(1H-pyrrolo[2,3-f]quinolin-1-yl)propan-2-amine::CHEMBL380763

SMILES: C[C@@H](Cn1ccc2ccc3ncccc3c12)NCc1ccccc1

InChI Key: InChIKey=OCWOUQYVSKKXRS-INIZCTEOSA-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 = 50176274   

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))	BDBM50176274 ((S)-N-benzyl-1-(1H-pyrrolo[2,3-f]quinolin-1-yl)pro...) Show SMILES C[C@@H](Cn1ccc2ccc3ncccc3c12)NCc1ccccc1 Show InChI InChI=1S/C21H21N3/c1-16(23-14-17-6-3-2-4-7-17)15-24-13-11-18-9-10-20-19(21(18)24)8-5-12-22-20/h2-13,16,23H,14-15H2,1H3/t16-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	77	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))	BDBM50176274 ((S)-N-benzyl-1-(1H-pyrrolo[2,3-f]quinolin-1-yl)pro...) Show SMILES C[C@@H](Cn1ccc2ccc3ncccc3c12)NCc1ccccc1 Show InChI InChI=1S/C21H21N3/c1-16(23-14-17-6-3-2-4-7-17)15-24-13-11-18-9-10-20-19(21(18)24)8-5-12-22-20/h2-13,16,23H,14-15H2,1H3/t16-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	515	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))	BDBM50176274 ((S)-N-benzyl-1-(1H-pyrrolo[2,3-f]quinolin-1-yl)pro...) Show SMILES C[C@@H](Cn1ccc2ccc3ncccc3c12)NCc1ccccc1 Show InChI InChI=1S/C21H21N3/c1-16(23-14-17-6-3-2-4-7-17)15-24-13-11-18-9-10-20-19(21(18)24)8-5-12-22-20/h2-13,16,23H,14-15H2,1H3/t16-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	842	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))	BDBM50176274 ((S)-N-benzyl-1-(1H-pyrrolo[2,3-f]quinolin-1-yl)pro...) Show SMILES C[C@@H](Cn1ccc2ccc3ncccc3c12)NCc1ccccc1 Show InChI InChI=1S/C21H21N3/c1-16(23-14-17-6-3-2-4-7-17)15-24-13-11-18-9-10-20-19(21(18)24)8-5-12-22-20/h2-13,16,23H,14-15H2,1H3/t16-/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	200	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 2B (Homo sapiens (Human))	BDBM50176274 ((S)-N-benzyl-1-(1H-pyrrolo[2,3-f]quinolin-1-yl)pro...) Show SMILES C[C@@H](Cn1ccc2ccc3ncccc3c12)NCc1ccccc1 Show InChI InChI=1S/C21H21N3/c1-16(23-14-17-6-3-2-4-7-17)15-24-13-11-18-9-10-20-19(21(18)24)8-5-12-22-20/h2-13,16,23H,14-15H2,1H3/t16-/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	97	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
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50176274 ((S)-N-benzyl-1-(1H-pyrrolo[2,3-f]quinolin-1-yl)pro...) Show SMILES C[C@@H](Cn1ccc2ccc3ncccc3c12)NCc1ccccc1 Show InChI InChI=1S/C21H21N3/c1-16(23-14-17-6-3-2-4-7-17)15-24-13-11-18-9-10-20-19(21(18)24)8-5-12-22-20/h2-13,16,23H,14-15H2,1H3/t16-/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	>1.00E+3	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