BDBM50407839 CHEMBL2112244

SMILES: C[C@@H](O)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cn2ccc3ccccc23)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC1=O

InChI Key: InChIKey=SPYQPOOICBVIJX-AYVIFYHYSA-N

Data: 1 IC50

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 = 50407839   

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
Neurokinin 1 receptor (Homo sapiens (Human))	BDBM50407839 (CHEMBL2112244) Show SMILES C[C@@H](O)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cn2ccc3ccccc23)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC1=O Show InChI InChI=1S/C49H52N8O7/c1-30(58)43-48(63)53-39(26-32-15-6-3-7-16-32)49(64)57-23-12-21-42(57)47(62)54-40(29-56-24-22-33-17-8-11-20-41(33)56)46(61)52-38(27-34-28-50-36-19-10-9-18-35(34)36)44(59)51-37(45(60)55-43)25-31-13-4-2-5-14-31/h2-11,13-20,22,24,28,30,37-40,42-43,50,58H,12,21,23,25-27,29H2,1H3,(H,51,59)(H,52,61)(H,53,63)(H,54,62)(H,55,60)/t30-,37+,38-,39+,40+,42+,43+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	35	n/a	n/a	n/a	n/a	n/a	n/a
University of Pennsylvania Curated by ChEMBL					Assay Description Inhibition of Tachykinin receptor 1				J Med Chem 39: 2441-8 (1996) Article DOI: 10.1021/jm960281e BindingDB Entry DOI: 10.7270/Q2P84CJT
					More data for this Ligand-Target Pair