BDBM50168425 (3S)-3-amino-3-{[(1S)-1-{[(2S)-4-({[(2S)-1-[(2S)-2-{[(1S)-1-carboxy-2-phenylethyl]carbamoyl}pyrrolidin-1-yl]-3-(1H-imidazol-4-yl)-1-oxopropan-2-yl]carbamoyl}methyl)-2-[(4-hydroxyphenyl)methyl]-3-oxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-9-yl]carbamoyl}ethyl]carbamoyl}propanoic acid::CHEMBL371395

SMILES: C[C@H](NC(=O)[C@@H](N)CC(O)=O)C(=O)Nc1cccc2CN(CC(=O)N[C@@H](Cc3cnc[nH]3)C(=O)N3CCC[C@H]3C(=O)N[C@@H](Cc3ccccc3)C(O)=O)C(=O)[C@H](Cc3ccc(O)cc3)Nc12

InChI Key: InChIKey=HUIQDWWWVJBGMR-GCPQPQEISA-N

Data: 1 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 1 hit for monomerid = 50168425   

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 receptor (Homo sapiens (Human))	BDBM50168425 ((3S)-3-amino-3-{[(1S)-1-{[(2S)-4-({[(2S)-1-[(2S)-2...) Show SMILES C[C@H](NC(=O)[C@@H](N)CC(O)=O)C(=O)Nc1cccc2CN(CC(=O)N[C@@H](Cc3cnc[nH]3)C(=O)N3CCC[C@H]3C(=O)N[C@@H](Cc3ccccc3)C(O)=O)C(=O)[C@H](Cc3ccc(O)cc3)Nc12 Show InChI InChI=1S/C45H52N10O11/c1-25(49-41(61)31(46)20-38(58)59)40(60)52-32-10-5-9-28-22-54(43(63)33(51-39(28)32)17-27-12-14-30(56)15-13-27)23-37(57)50-34(19-29-21-47-24-48-29)44(64)55-16-6-11-36(55)42(62)53-35(45(65)66)18-26-7-3-2-4-8-26/h2-5,7-10,12-15,21,24-25,31,33-36,51,56H,6,11,16-20,22-23,46H2,1H3,(H,47,48)(H,49,61)(H,50,57)(H,52,60)(H,53,62)(H,58,59)(H,65,66)/t25-,31-,33-,34-,35-,36-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	37.4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Displacement of [125I]-Ang II from angiotensin II receptor type 2 in pig uterus myometrium				J Med Chem 48: 4009-24 (2005) Article DOI: 10.1021/jm0491492 BindingDB Entry DOI: 10.7270/Q2BR8SZD
					More data for this Ligand-Target Pair