BDBM50088989 (5S,8R,13R,15aS)-8-[(Adamantane-1-carbonyl)-amino]-5-carboxymethyl-7,15-dioxo-tetradecahydro-10,11-dithia-3a,6,14-triaza-cyclopentacyclotetradecene-13-carboxylic acid::CHEMBL369283

SMILES: OC(=O)C[C@H]1CN2CCC[C@H]2C(=O)N[C@@H](CSSC[C@H](NC(=O)C23CC4CC(CC(C4)C2)C3)C(=O)N1)C(O)=O

InChI Key: InChIKey=SZOJAVBSSYTJEN-LKKMOIQDSA-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 = 50088989   

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))	BDBM50088989 ((5S,8R,13R,15aS)-8-[(Adamantane-1-carbonyl)-amino]...) Show SMILES OC(=O)C[C@H]1CN2CCC[C@H]2C(=O)N[C@@H](CSSC[C@H](NC(=O)C23CC4CC(CC(C4)C2)C3)C(=O)N1)C(O)=O |TLB:30:25:32:31.29.28,30:29:32:24.25.26,THB:28:27:24:31.29.30,28:29:24:32.27.26| Show InChI InChI=1S/C26H38N4O7S2/c31-21(32)7-17-11-30-3-1-2-20(30)23(34)28-19(24(35)36)13-39-38-12-18(22(33)27-17)29-25(37)26-8-14-4-15(9-26)6-16(5-14)10-26/h14-20H,1-13H2,(H,27,33)(H,28,34)(H,29,37)(H,31,32)(H,35,36)/t14?,15?,16?,17-,18-,19-,20-,26?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	170	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