BDBM50176271 (S)-N-(2-chlorobenzyl)-1-(1H-pyrrolo[2,3-f]quinolin-1-yl)propan-2-amine::CHEMBL202538

SMILES: C[C@@H](Cn1ccc2ccc3ncccc3c12)NCc1ccccc1Cl

InChI Key: InChIKey=DRERWZQTMBLMNH-HNNXBMFYSA-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 = 50176271   

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))	BDBM50176271 ((S)-N-(2-chlorobenzyl)-1-(1H-pyrrolo[2,3-f]quinoli...) Show SMILES C[C@@H](Cn1ccc2ccc3ncccc3c12)NCc1ccccc1Cl Show InChI InChI=1S/C21H20ClN3/c1-15(24-13-17-5-2-3-7-19(17)22)14-25-12-10-16-8-9-20-18(21(16)25)6-4-11-23-20/h2-12,15,24H,13-14H2,1H3/t15-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	39	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))	BDBM50176271 ((S)-N-(2-chlorobenzyl)-1-(1H-pyrrolo[2,3-f]quinoli...) Show SMILES C[C@@H](Cn1ccc2ccc3ncccc3c12)NCc1ccccc1Cl Show InChI InChI=1S/C21H20ClN3/c1-15(24-13-17-5-2-3-7-19(17)22)14-25-12-10-16-8-9-20-18(21(16)25)6-4-11-23-20/h2-12,15,24H,13-14H2,1H3/t15-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	380	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))	BDBM50176271 ((S)-N-(2-chlorobenzyl)-1-(1H-pyrrolo[2,3-f]quinoli...) Show SMILES C[C@@H](Cn1ccc2ccc3ncccc3c12)NCc1ccccc1Cl Show InChI InChI=1S/C21H20ClN3/c1-15(24-13-17-5-2-3-7-19(17)22)14-25-12-10-16-8-9-20-18(21(16)25)6-4-11-23-20/h2-12,15,24H,13-14H2,1H3/t15-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	674	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))	BDBM50176271 ((S)-N-(2-chlorobenzyl)-1-(1H-pyrrolo[2,3-f]quinoli...) Show SMILES C[C@@H](Cn1ccc2ccc3ncccc3c12)NCc1ccccc1Cl Show InChI InChI=1S/C21H20ClN3/c1-15(24-13-17-5-2-3-7-19(17)22)14-25-12-10-16-8-9-20-18(21(16)25)6-4-11-23-20/h2-12,15,24H,13-14H2,1H3/t15-/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	74	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))	BDBM50176271 ((S)-N-(2-chlorobenzyl)-1-(1H-pyrrolo[2,3-f]quinoli...) Show SMILES C[C@@H](Cn1ccc2ccc3ncccc3c12)NCc1ccccc1Cl Show InChI InChI=1S/C21H20ClN3/c1-15(24-13-17-5-2-3-7-19(17)22)14-25-12-10-16-8-9-20-18(21(16)25)6-4-11-23-20/h2-12,15,24H,13-14H2,1H3/t15-/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	44	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))	BDBM50176271 ((S)-N-(2-chlorobenzyl)-1-(1H-pyrrolo[2,3-f]quinoli...) Show SMILES C[C@@H](Cn1ccc2ccc3ncccc3c12)NCc1ccccc1Cl Show InChI InChI=1S/C21H20ClN3/c1-15(24-13-17-5-2-3-7-19(17)22)14-25-12-10-16-8-9-20-18(21(16)25)6-4-11-23-20/h2-12,15,24H,13-14H2,1H3/t15-/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	638	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