BDBM50419721 CHEMBL1946785

SMILES: O[C@@H]1[C@@H](CNCCOc2ccccc2)CCC1(c1ccccc1)c1ccccc1

InChI Key: InChIKey=DNAVFAFMJIQKJV-PXDATVDWSA-N

Data: 4 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 4 hits for monomerid = 50419721   

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 (Homo sapiens (Human))	BDBM50419721 (CHEMBL1946785) Show SMILES O[C@@H]1[C@@H](CNCCOc2ccccc2)CCC1(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C26H29NO2/c28-25-21(20-27-18-19-29-24-14-8-3-9-15-24)16-17-26(25,22-10-4-1-5-11-22)23-12-6-2-7-13-23/h1-15,21,25,27-28H,16-20H2/t21-,25-/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.55	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Modena e Reggio Emilia Curated by ChEMBL					Assay Description Displacement of [3H]-OH-DPAT from human recombinant 5HT1A receptor expressed in HeLa cells after 30 mins by liquid scintillation counting				J Med Chem 55: 23-36 (2012) Article DOI: 10.1021/jm200421e BindingDB Entry DOI: 10.7270/Q2G44RKK
					More data for this Ligand-Target Pair
Alpha-1D adrenergic receptor (Homo sapiens (Human))	BDBM50419721 (CHEMBL1946785) Show SMILES O[C@@H]1[C@@H](CNCCOc2ccccc2)CCC1(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C26H29NO2/c28-25-21(20-27-18-19-29-24-14-8-3-9-15-24)16-17-26(25,22-10-4-1-5-11-22)23-12-6-2-7-13-23/h1-15,21,25,27-28H,16-20H2/t21-,25-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	93.3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Modena e Reggio Emilia Curated by ChEMBL					Assay Description Displacement of [3H]prazosin from human recombinant Alpha-1D adrenoreceptor expressed in CHO cells after 30 mins by liquid scintillation counting				J Med Chem 55: 23-36 (2012) Article DOI: 10.1021/jm200421e BindingDB Entry DOI: 10.7270/Q2G44RKK
					More data for this Ligand-Target Pair
Adrenergic alpha1B (Homo sapiens (Human))	BDBM50419721 (CHEMBL1946785) Show SMILES O[C@@H]1[C@@H](CNCCOc2ccccc2)CCC1(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C26H29NO2/c28-25-21(20-27-18-19-29-24-14-8-3-9-15-24)16-17-26(25,22-10-4-1-5-11-22)23-12-6-2-7-13-23/h1-15,21,25,27-28H,16-20H2/t21-,25-/m1/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	288	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Modena e Reggio Emilia Curated by ChEMBL					Assay Description Displacement of [3H]prazosin from human recombinant alpha1B adrenoceptor expressed in CHO cells after 30 mins by liquid scintillation counting				J Med Chem 55: 23-36 (2012) Article DOI: 10.1021/jm200421e BindingDB Entry DOI: 10.7270/Q2G44RKK
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Homo sapiens (Human))	BDBM50419721 (CHEMBL1946785) Show SMILES O[C@@H]1[C@@H](CNCCOc2ccccc2)CCC1(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C26H29NO2/c28-25-21(20-27-18-19-29-24-14-8-3-9-15-24)16-17-26(25,22-10-4-1-5-11-22)23-12-6-2-7-13-23/h1-15,21,25,27-28H,16-20H2/t21-,25-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Modena e Reggio Emilia Curated by ChEMBL					Assay Description Displacement of [3H]prazosin from human recombinant alpha1A adrenoceptor expressed in CHO cells after 30 mins by liquid scintillation counting				J Med Chem 55: 23-36 (2012) Article DOI: 10.1021/jm200421e BindingDB Entry DOI: 10.7270/Q2G44RKK
					More data for this Ligand-Target Pair