BDBM50093764 CHEMBL2369879::cyclic nonapeptide analogue

SMILES: [H][C@@]12CC3CCCCC3N1C(=O)[C@H](CN)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CNC(=O)Cc1ccccc1)NC(=O)[C@@]1([H])Cc3ccccc3CN1C2=O)c1ccccc1

InChI Key: InChIKey=QKWKVWPWZYAHGR-NGGJMDNRSA-N

Data: 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 1 hit for monomerid = 50093764   

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
BDKRB2 (Homo sapiens (Human))	BDBM50093764 (CHEMBL2369879 | cyclic nonapeptide analogue) Show SMILES [H][C@@]12CC3CCCCC3N1C(=O)[C@H](CN)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CNC(=O)Cc1ccccc1)NC(=O)[C@@]1([H])Cc3ccccc3CN1C2=O)c1ccccc1 |r| Show InChI InChI=1S/C47H59N9O7/c48-22-12-11-20-34-42(58)52-35(26-49)46(62)56-37-21-10-9-18-32(37)25-39(56)47(63)55-28-33-19-8-7-17-31(33)24-38(55)44(60)53-36(27-50-40(57)23-29-13-3-1-4-14-29)43(59)54-41(45(61)51-34)30-15-5-2-6-16-30/h1-8,13-17,19,32,34-39,41H,9-12,18,20-28,48-49H2,(H,50,57)(H,51,61)(H,52,58)(H,53,60)(H,54,59)/t32?,34-,35-,36-,37?,38+,39-,41-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a
Roche Bioscience Curated by ChEMBL					Assay Description Compound was assayed for binding against the human Bradykinin receptor B2 expressed in CHO cells; 0.2-16				Bioorg Med Chem Lett 10: 2421-5 (2001) BindingDB Entry DOI: 10.7270/Q20001BH
					More data for this Ligand-Target Pair