BDBM50492802 CHEMBL2414356

SMILES: Clc1ccc(cc1)-n1cc(CCCN2CCN(CC2)c2ccccc2)cn1

InChI Key: InChIKey=HIFJFKUAMBPYFD-UHFFFAOYSA-N

Data: 7 KI

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 = 50492802   

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 1A (Rattus norvegicus (rat))	BDBM50492802 (CHEMBL2414356) Show SMILES Clc1ccc(cc1)-n1cc(CCCN2CCN(CC2)c2ccccc2)cn1 Show InChI InChI=1S/C22H25ClN4/c23-20-8-10-22(11-9-20)27-18-19(17-24-27)5-4-12-25-13-15-26(16-14-25)21-6-2-1-3-7-21/h1-3,6-11,17-18H,4-5,12-16H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	180	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal do Rio de Janeiro Curated by ChEMBL					Assay Description Displacement of [3H]-8-OH-DPAT from 5HT1A receptor in rat brain hippocampal membranes after 15 mins by liquid scintillation counting				Eur J Med Chem 66: 122-34 (2013) Article DOI: 10.1016/j.ejmech.2013.05.027 BindingDB Entry DOI: 10.7270/Q2514253
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM50492802 (CHEMBL2414356) Show SMILES Clc1ccc(cc1)-n1cc(CCCN2CCN(CC2)c2ccccc2)cn1 Show InChI InChI=1S/C22H25ClN4/c23-20-8-10-22(11-9-20)27-18-19(17-24-27)5-4-12-25-13-15-26(16-14-25)21-6-2-1-3-7-21/h1-3,6-11,17-18H,4-5,12-16H2	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	330	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal do Rio de Janeiro Curated by ChEMBL					Assay Description Displacement of [3H]-YM-09151-2 from human D4 receptor after 120 mins by liquid scintillation counting				Eur J Med Chem 66: 122-34 (2013) Article DOI: 10.1016/j.ejmech.2013.05.027 BindingDB Entry DOI: 10.7270/Q2514253
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Rattus norvegicus (rat))	BDBM50492802 (CHEMBL2414356) Show SMILES Clc1ccc(cc1)-n1cc(CCCN2CCN(CC2)c2ccccc2)cn1 Show InChI InChI=1S/C22H25ClN4/c23-20-8-10-22(11-9-20)27-18-19(17-24-27)5-4-12-25-13-15-26(16-14-25)21-6-2-1-3-7-21/h1-3,6-11,17-18H,4-5,12-16H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal do Rio de Janeiro Curated by ChEMBL					Assay Description Displacement of [3H]-ketanserin from 5HT2A receptor in rat brain cortical membranes after 15 mins by liquid scintillation counting				Eur J Med Chem 66: 122-34 (2013) Article DOI: 10.1016/j.ejmech.2013.05.027 BindingDB Entry DOI: 10.7270/Q2514253
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50492802 (CHEMBL2414356) Show SMILES Clc1ccc(cc1)-n1cc(CCCN2CCN(CC2)c2ccccc2)cn1 Show InChI InChI=1S/C22H25ClN4/c23-20-8-10-22(11-9-20)27-18-19(17-24-27)5-4-12-25-13-15-26(16-14-25)21-6-2-1-3-7-21/h1-3,6-11,17-18H,4-5,12-16H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	680	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal do Rio de Janeiro Curated by ChEMBL					Assay Description Displacement of [3H]-YM-09151-2 from D2 receptor in rat brain striatal membranes after 60 mins by liquid scintillation counting				Eur J Med Chem 66: 122-34 (2013) Article DOI: 10.1016/j.ejmech.2013.05.027 BindingDB Entry DOI: 10.7270/Q2514253
					More data for this Ligand-Target Pair
Alpha adrenergic receptor 1A and 1B (Rattus norvegicus (rat))	BDBM50492802 (CHEMBL2414356) Show SMILES Clc1ccc(cc1)-n1cc(CCCN2CCN(CC2)c2ccccc2)cn1 Show InChI InChI=1S/C22H25ClN4/c23-20-8-10-22(11-9-20)27-18-19(17-24-27)5-4-12-25-13-15-26(16-14-25)21-6-2-1-3-7-21/h1-3,6-11,17-18H,4-5,12-16H2	Reactome pathway UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal do Rio de Janeiro Curated by ChEMBL					Assay Description Displacement of [3H]-prozosin from alpha1B adrenoreceptor in rat liver membranes after 45 mins by liquid scintillation counting				Eur J Med Chem 66: 122-34 (2013) Article DOI: 10.1016/j.ejmech.2013.05.027 BindingDB Entry DOI: 10.7270/Q2514253
					More data for this Ligand-Target Pair
Adrenergic receptor alpha-2 (RAT-NEONATAL RAT-Rattus norvegicus (rat))	BDBM50492802 (CHEMBL2414356) Show SMILES Clc1ccc(cc1)-n1cc(CCCN2CCN(CC2)c2ccccc2)cn1 Show InChI InChI=1S/C22H25ClN4/c23-20-8-10-22(11-9-20)27-18-19(17-24-27)5-4-12-25-13-15-26(16-14-25)21-6-2-1-3-7-21/h1-3,6-11,17-18H,4-5,12-16H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal do Rio de Janeiro Curated by ChEMBL					Assay Description Displacement of [3H]-RX821002 from alpha2 adrenoreceptor in rat brain cortical membranes after 45 mins by liquid scintillation counting				Eur J Med Chem 66: 122-34 (2013) Article DOI: 10.1016/j.ejmech.2013.05.027 BindingDB Entry DOI: 10.7270/Q2514253
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50492802 (CHEMBL2414356) Show SMILES Clc1ccc(cc1)-n1cc(CCCN2CCN(CC2)c2ccccc2)cn1 Show InChI InChI=1S/C22H25ClN4/c23-20-8-10-22(11-9-20)27-18-19(17-24-27)5-4-12-25-13-15-26(16-14-25)21-6-2-1-3-7-21/h1-3,6-11,17-18H,4-5,12-16H2	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal do Rio de Janeiro Curated by ChEMBL					Assay Description Displacement of [3H]-mesulergine from human 5HT2C receptor after 60 mins by liquid scintillation counting				Eur J Med Chem 66: 122-34 (2013) Article DOI: 10.1016/j.ejmech.2013.05.027 BindingDB Entry DOI: 10.7270/Q2514253
					More data for this Ligand-Target Pair