BDBM50274054 CHEMBL4128084

SMILES: [H][C@@]12CCCC[C@]1([H])N(CCN2C(=O)OCc1ccccc1)c1nc(N)c2cc(OC)c(OC)cc2n1

InChI Key: InChIKey=FJHDZOUCRDBUGM-LEWJYISDSA-N

Data: 3 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 3 hits for monomerid = 50274054   

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 adrenergic receptor (1a and 1d) (Homo sapiens (Human))	BDBM50274054 (CHEMBL4128084) Show SMILES [H][C@@]12CCCC[C@]1([H])N(CCN2C(=O)OCc1ccccc1)c1nc(N)c2cc(OC)c(OC)cc2n1 |r| Show InChI InChI=1S/C26H31N5O4/c1-33-22-14-18-19(15-23(22)34-2)28-25(29-24(18)27)30-12-13-31(21-11-7-6-10-20(21)30)26(32)35-16-17-8-4-3-5-9-17/h3-5,8-9,14-15,20-21H,6-7,10-13,16H2,1-2H3,(H2,27,28,29)/t20-,21+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.0398	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Camerino Curated by ChEMBL					Assay Description Displacement of [3H]prazosin from human alpha1D adrenergic receptor expressed in CHO cell membranes after 30 mins by rapid filtration method				Bioorg Med Chem 26: 3502-3513 (2018) Article DOI: 10.1016/j.bmc.2018.05.023 BindingDB Entry DOI: 10.7270/Q2X92DS4
					More data for this Ligand-Target Pair
Adrenergic receptor alpha (Homo sapiens (Human))	BDBM50274054 (CHEMBL4128084) Show SMILES [H][C@@]12CCCC[C@]1([H])N(CCN2C(=O)OCc1ccccc1)c1nc(N)c2cc(OC)c(OC)cc2n1 |r| Show InChI InChI=1S/C26H31N5O4/c1-33-22-14-18-19(15-23(22)34-2)28-25(29-24(18)27)30-12-13-31(21-11-7-6-10-20(21)30)26(32)35-16-17-8-4-3-5-9-17/h3-5,8-9,14-15,20-21H,6-7,10-13,16H2,1-2H3,(H2,27,28,29)/t20-,21+/m0/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.191	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Camerino Curated by ChEMBL					Assay Description Displacement of [3H]prazosin from human alpha1B adrenergic receptor expressed in CHO cell membranes after 30 mins by rapid filtration method				Bioorg Med Chem 26: 3502-3513 (2018) Article DOI: 10.1016/j.bmc.2018.05.023 BindingDB Entry DOI: 10.7270/Q2X92DS4
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Homo sapiens (Human))	BDBM50274054 (CHEMBL4128084) Show SMILES [H][C@@]12CCCC[C@]1([H])N(CCN2C(=O)OCc1ccccc1)c1nc(N)c2cc(OC)c(OC)cc2n1 |r| Show InChI InChI=1S/C26H31N5O4/c1-33-22-14-18-19(15-23(22)34-2)28-25(29-24(18)27)30-12-13-31(21-11-7-6-10-20(21)30)26(32)35-16-17-8-4-3-5-9-17/h3-5,8-9,14-15,20-21H,6-7,10-13,16H2,1-2H3,(H2,27,28,29)/t20-,21+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.501	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Camerino Curated by ChEMBL					Assay Description Displacement of [3H]prazosin from human alpha1A adrenergic receptor expressed in CHO cell membranes after 30 mins by rapid filtration method				Bioorg Med Chem 26: 3502-3513 (2018) Article DOI: 10.1016/j.bmc.2018.05.023 BindingDB Entry DOI: 10.7270/Q2X92DS4
					More data for this Ligand-Target Pair