BDBM50176266 (S)-N-(benzo[d][1,3]dioxol-5-ylmethyl)-1-(1H-pyrrolo[2,3-f]quinolin-1-yl)propan-2-amine::CHEMBL202458

SMILES: C[C@@H](Cn1ccc2ccc3ncccc3c12)NCc1ccc2OCOc2c1

InChI Key: InChIKey=CARSKLMPPXNAOS-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 = 50176266   

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))	BDBM50176266 ((S)-N-(benzo[d][1,3]dioxol-5-ylmethyl)-1-(1H-pyrro...) Show SMILES C[C@@H](Cn1ccc2ccc3ncccc3c12)NCc1ccc2OCOc2c1 Show InChI InChI=1S/C22H21N3O2/c1-15(24-12-16-4-7-20-21(11-16)27-14-26-20)13-25-10-8-17-5-6-19-18(22(17)25)3-2-9-23-19/h2-11,15,24H,12-14H2,1H3/t15-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	16	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))	BDBM50176266 ((S)-N-(benzo[d][1,3]dioxol-5-ylmethyl)-1-(1H-pyrro...) Show SMILES C[C@@H](Cn1ccc2ccc3ncccc3c12)NCc1ccc2OCOc2c1 Show InChI InChI=1S/C22H21N3O2/c1-15(24-12-16-4-7-20-21(11-16)27-14-26-20)13-25-10-8-17-5-6-19-18(22(17)25)3-2-9-23-19/h2-11,15,24H,12-14H2,1H3/t15-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	138	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))	BDBM50176266 ((S)-N-(benzo[d][1,3]dioxol-5-ylmethyl)-1-(1H-pyrro...) Show SMILES C[C@@H](Cn1ccc2ccc3ncccc3c12)NCc1ccc2OCOc2c1 Show InChI InChI=1S/C22H21N3O2/c1-15(24-12-16-4-7-20-21(11-16)27-14-26-20)13-25-10-8-17-5-6-19-18(22(17)25)3-2-9-23-19/h2-11,15,24H,12-14H2,1H3/t15-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	398	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 2A (Homo sapiens (Human))	BDBM50176266 ((S)-N-(benzo[d][1,3]dioxol-5-ylmethyl)-1-(1H-pyrro...) Show SMILES C[C@@H](Cn1ccc2ccc3ncccc3c12)NCc1ccc2OCOc2c1 Show InChI InChI=1S/C22H21N3O2/c1-15(24-12-16-4-7-20-21(11-16)27-14-26-20)13-25-10-8-17-5-6-19-18(22(17)25)3-2-9-23-19/h2-11,15,24H,12-14H2,1H3/t15-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	n/a	n/a	359	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))	BDBM50176266 ((S)-N-(benzo[d][1,3]dioxol-5-ylmethyl)-1-(1H-pyrro...) Show SMILES C[C@@H](Cn1ccc2ccc3ncccc3c12)NCc1ccc2OCOc2c1 Show InChI InChI=1S/C22H21N3O2/c1-15(24-12-16-4-7-20-21(11-16)27-14-26-20)13-25-10-8-17-5-6-19-18(22(17)25)3-2-9-23-19/h2-11,15,24H,12-14H2,1H3/t15-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	n/a	n/a	20	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 2C (Homo sapiens (Human))	BDBM50176266 ((S)-N-(benzo[d][1,3]dioxol-5-ylmethyl)-1-(1H-pyrro...) Show SMILES C[C@@H](Cn1ccc2ccc3ncccc3c12)NCc1ccc2OCOc2c1 Show InChI InChI=1S/C22H21N3O2/c1-15(24-12-16-4-7-20-21(11-16)27-14-26-20)13-25-10-8-17-5-6-19-18(22(17)25)3-2-9-23-19/h2-11,15,24H,12-14H2,1H3/t15-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	n/a	n/a	42	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