BDBM50388738 CHEMBL2058861

SMILES: CCCc1nc2c(C)cc(cc2n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)C(=O)NCCc1cccc(OC)c1

InChI Key: InChIKey=GZAWCWVPZBVPIK-UHFFFAOYSA-N

Data: 1 IC50  1 Kd

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 2 hits for monomerid = 50388738   

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
Angiotensin II type 1a (AT-1a) receptor (RABBIT)	BDBM50388738 (CHEMBL2058861) Show SMILES CCCc1nc2c(C)cc(cc2n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)C(=O)NCCc1cccc(OC)c1 Show InChI InChI=1S/C35H35N7O2/c1-4-8-32-37-33-23(2)19-27(35(43)36-18-17-24-9-7-10-28(20-24)44-3)21-31(33)42(32)22-25-13-15-26(16-14-25)29-11-5-6-12-30(29)34-38-40-41-39-34/h5-7,9-16,19-21H,4,8,17-18,22H2,1-3H3,(H,36,43)(H,38,39,40,41)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	14.8	n/a	n/a	n/a	n/a	n/a
School of Chemical Engineering& the Environment Curated by ChEMBL					Assay Description Antagonist activity at AT1 receptor in Japanese white rabbit thoracic aorta assessed as inhibition of KCl-induced contraction incubated 30 mins post ...				Bioorg Med Chem 20: 4208-16 (2012) Article DOI: 10.1016/j.bmc.2012.05.056 BindingDB Entry DOI: 10.7270/Q2GT5P7J
					More data for this Ligand-Target Pair
Angiotensin II receptor (Homo sapiens (Human))	BDBM50388738 (CHEMBL2058861) Show SMILES CCCc1nc2c(C)cc(cc2n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)C(=O)NCCc1cccc(OC)c1 Show InChI InChI=1S/C35H35N7O2/c1-4-8-32-37-33-23(2)19-27(35(43)36-18-17-24-9-7-10-28(20-24)44-3)21-31(33)42(32)22-25-13-15-26(16-14-25)29-11-5-6-12-30(29)34-38-40-41-39-34/h5-7,9-16,19-21H,4,8,17-18,22H2,1-3H3,(H,36,43)(H,38,39,40,41)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.60	n/a	n/a	n/a	n/a	n/a	n/a
School of Chemical Engineering& the Environment Curated by ChEMBL					Assay Description Displacement of [125I]Sar1Ile8-Ang2 from angiotensin AT1 receptor after 180 mins by gamma counting				Bioorg Med Chem 20: 4208-16 (2012) Article DOI: 10.1016/j.bmc.2012.05.056 BindingDB Entry DOI: 10.7270/Q2GT5P7J
					More data for this Ligand-Target Pair