BDBM50408805 CHEMBL405644

SMILES: N[C@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCCCC(=O)NC1(CCCCCC1)C(=O)NCCCC(=O)N[C@@H](CO)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)N1[C@H]2CCCC[C@H]2C[C@H]1C(O)=O

InChI Key: InChIKey=JAHLQUZQPXZJCT-CYJRSITMSA-N

Data: 2 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 = 50408805   

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
Bradykinin B2 receptor (Cavia porcellus)	BDBM50408805 (CHEMBL405644) Show SMILES N[C@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCCCC(=O)NC1(CCCCCC1)C(=O)NCCCC(=O)N[C@@H](CO)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)N1[C@H]2CCCC[C@H]2C[C@H]1C(O)=O Show InChI InChI=1S/C50H80N14O10/c51-34(16-9-25-58-48(52)53)42(68)61-35(17-10-26-59-49(54)55)43(69)56-23-12-20-41(67)62-50(21-7-1-2-8-22-50)47(74)57-24-11-19-40(66)60-36(30-65)44(70)63-29-33-15-4-3-13-31(33)27-38(63)45(71)64-37-18-6-5-14-32(37)28-39(64)46(72)73/h3-4,13,15,32,34-39,65H,1-2,5-12,14,16-30,51H2,(H,56,69)(H,57,74)(H,60,66)(H,61,68)(H,62,67)(H,72,73)(H4,52,53,58)(H4,54,55,59)/t32-,34+,35-,36-,37-,38+,39-/m0/s1	MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a
Institute of Mutagenesis and Differentiation Curated by ChEMBL					Assay Description Antagonistic activity against Bradykinin receptor B2 of guinea pig ileum longitudinal smooth muscle.				J Med Chem 42: 409-14 (1999) Article DOI: 10.1021/jm980495r BindingDB Entry DOI: 10.7270/Q25B03Q8
					More data for this Ligand-Target Pair
BDKRB1 (RAT)	BDBM50408805 (CHEMBL405644) Show SMILES N[C@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCCCC(=O)NC1(CCCCCC1)C(=O)NCCCC(=O)N[C@@H](CO)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)N1[C@H]2CCCC[C@H]2C[C@H]1C(O)=O Show InChI InChI=1S/C50H80N14O10/c51-34(16-9-25-58-48(52)53)42(68)61-35(17-10-26-59-49(54)55)43(69)56-23-12-20-41(67)62-50(21-7-1-2-8-22-50)47(74)57-24-11-19-40(66)60-36(30-65)44(70)63-29-33-15-4-3-13-31(33)27-38(63)45(71)64-37-18-6-5-14-32(37)28-39(64)46(72)73/h3-4,13,15,32,34-39,65H,1-2,5-12,14,16-30,51H2,(H,56,69)(H,57,74)(H,60,66)(H,61,68)(H,62,67)(H,72,73)(H4,52,53,58)(H4,54,55,59)/t32-,34+,35-,36-,37-,38+,39-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a
Institute of Mutagenesis and Differentiation Curated by ChEMBL					Assay Description Antagonistic activity against Bradykinin receptor B1 of rat ileum longitudinal smooth muscle.				J Med Chem 42: 409-14 (1999) Article DOI: 10.1021/jm980495r BindingDB Entry DOI: 10.7270/Q25B03Q8
					More data for this Ligand-Target Pair