BDBM50088992 2-[(Adamantane-1-carbonyl)-amino]-3-{2-[(adamantane-1-carbonyl)-amino]-2-carboxy-ethyldisulfanyl}-propionic acid::CHEMBL367536

SMILES: OC(=O)[C@H](CSSC[C@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(O)=O)NC(=O)C12CC3CC(CC(C3)C1)C2

InChI Key: InChIKey=NNJZKBSBEDXVMB-QNWWVVALSA-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 = 50088992   

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
Fibronectin receptor beta/Integrin alpha-4 (Homo sapiens (Human))	BDBM50088992 (2-[(Adamantane-1-carbonyl)-amino]-3-{2-[(adamantan...) Show SMILES OC(=O)[C@H](CSSC[C@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(O)=O)NC(=O)C12CC3CC(CC(C3)C1)C2 |TLB:31:32:36:29.30.35,15:16:20:13.14.19,35:34:37:29.30.31,35:30:37:36.34.33,THB:31:30:36:37.32.33,15:14:20:21.16.17,17:18:13:21.16.15,17:16:13:20.18.19| Show InChI InChI=1S/C28H40N2O6S2/c31-23(32)21(29-25(35)27-7-15-1-16(8-27)3-17(2-15)9-27)13-37-38-14-22(24(33)34)30-26(36)28-10-18-4-19(11-28)6-20(5-18)12-28/h15-22H,1-14H2,(H,29,35)(H,30,36)(H,31,32)(H,33,34)/t15?,16?,17?,18?,19?,20?,21-,22-,27?,28?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	7.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Celltech Chiroscience Curated by ChEMBL					Assay Description Inhibition of VCAM (vascular cell adhesion molecule) adhesion to alpha4-beta1 integrin of leukocyte cells				Bioorg Med Chem Lett 10: 993-5 (2000) BindingDB Entry DOI: 10.7270/Q2RJ4KRC
					More data for this Ligand-Target Pair