BDBM50089000 (6S,9R,14R,16aS)-9-[(Adamantane-1-carbonyl)-amino]-6-carboxymethyl-8,16-dioxo-tetradecahydro-11,12-dithia-4a,7,15-triaza-benzocyclotetradecene-14-carboxylic acid::CHEMBL178796

SMILES: OC(=O)C[C@H]1CN2CCCC[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=YWHNRGRRUCGZTF-AKYLNMCCSA-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 = 50089000   

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))	BDBM50089000 ((6S,9R,14R,16aS)-9-[(Adamantane-1-carbonyl)-amino]...) Show SMILES OC(=O)C[C@H]1CN2CCCC[C@H]2C(=O)N[C@@H](CSSC[C@H](NC(=O)C23CC4CC(CC(C4)C2)C3)C(=O)N1)C(O)=O |TLB:31:26:33:32.30.29,31:30:33:25.26.27,THB:29:28:25:32.30.31,29:30:25:33.28.27| Show InChI InChI=1S/C27H40N4O7S2/c32-22(33)8-18-12-31-4-2-1-3-21(31)24(35)29-20(25(36)37)14-40-39-13-19(23(34)28-18)30-26(38)27-9-15-5-16(10-27)7-17(6-15)11-27/h15-21H,1-14H2,(H,28,34)(H,29,35)(H,30,38)(H,32,33)(H,36,37)/t15?,16?,17?,18-,19-,20-,21-,27?/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	12	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