BDBM50513262 CHEMBL4520390

SMILES: OC(=O)C(O)=O.C(COc1ccccc1)NCCC1COC(O1)(c1ccccc1)c1ccccc1

InChI Key: InChIKey=VGNBFDLCNBOBTA-UHFFFAOYSA-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 = 50513262   

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
Alpha-1D adrenergic receptor (Homo sapiens (Human))	BDBM50513262 (CHEMBL4520390) Show SMILES OC(=O)C(O)=O.C(COc1ccccc1)NCCC1COC(O1)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C25H27NO3.C2H2O4/c1-4-10-21(11-5-1)25(22-12-6-2-7-13-22)28-20-24(29-25)16-17-26-18-19-27-23-14-8-3-9-15-23;3-1(4)2(5)6/h1-15,24,26H,16-20H2;(H,3,4)(H,5,6)	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	30	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 cloned adrenoceptor alpha 1D expressed in CHO cell membrane incubated for 30 mins by liquid scintillation co...				Eur J Med Chem 176: 310-325 (2019) Article DOI: 10.1016/j.ejmech.2019.05.024
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Homo sapiens (Human))	BDBM50513262 (CHEMBL4520390) Show SMILES OC(=O)C(O)=O.C(COc1ccccc1)NCCC1COC(O1)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C25H27NO3.C2H2O4/c1-4-10-21(11-5-1)25(22-12-6-2-7-13-22)28-20-24(29-25)16-17-26-18-19-27-23-14-8-3-9-15-23;3-1(4)2(5)6/h1-15,24,26H,16-20H2;(H,3,4)(H,5,6)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	59	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 cloned adrenoceptor alpha 1A expressed in CHO cell membrane incubated for 30 mins by liquid scintillation co...				Eur J Med Chem 176: 310-325 (2019) Article DOI: 10.1016/j.ejmech.2019.05.024
					More data for this Ligand-Target Pair
Alpha-1B adrenergic receptor (Homo sapiens (Human))	BDBM50513262 (CHEMBL4520390) Show SMILES OC(=O)C(O)=O.C(COc1ccccc1)NCCC1COC(O1)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C25H27NO3.C2H2O4/c1-4-10-21(11-5-1)25(22-12-6-2-7-13-22)28-20-24(29-25)16-17-26-18-19-27-23-14-8-3-9-15-23;3-1(4)2(5)6/h1-15,24,26H,16-20H2;(H,3,4)(H,5,6)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	95	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 cloned adrenoceptor alpha 1B expressed in CHO cell membrane incubated for 30 mins by liquid scintillation co...				Eur J Med Chem 176: 310-325 (2019) Article DOI: 10.1016/j.ejmech.2019.05.024
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50513262 (CHEMBL4520390) Show SMILES OC(=O)C(O)=O.C(COc1ccccc1)NCCC1COC(O1)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C25H27NO3.C2H2O4/c1-4-10-21(11-5-1)25(22-12-6-2-7-13-22)28-20-24(29-25)16-17-26-18-19-27-23-14-8-3-9-15-23;3-1(4)2(5)6/h1-15,24,26H,16-20H2;(H,3,4)(H,5,6)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	724	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]8-OH-DPAT from human cloned 5HT-1AR transfected in HeLa cells incubated for 30 mins by liquid scintillation counter				Eur J Med Chem 176: 310-325 (2019) Article DOI: 10.1016/j.ejmech.2019.05.024
					More data for this Ligand-Target Pair