BDBM50217020 CHEMBL231224::adamantan-1-yl-carbamic acid (S)-2-{(2S,3R)-2-[2-((S)-2-{(S)-6-amino-2-[2-(naphthalen-2-yloxy)-acetylamino]-hexanoylamino}-3-methyl-butyrylamino)-acetylamino]-3-hydroxy-butyrylamino}-propyl ester

SMILES: CC(C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)COc1ccc2ccccc2c1)C(=O)NCC(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C)COC(=O)NC12CC3CC(CC(C3)C1)C2

InChI Key: InChIKey=YFAIWXIDUBROKH-GRMSWIAASA-N

Data: 1 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 1 hit for monomerid = 50217020   

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
T-cell surface antigen CD4 (Homo sapiens (Human))	BDBM50217020 (CHEMBL231224 | adamantan-1-yl-carbamic acid (S)-2-...) Show SMILES CC(C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)COc1ccc2ccccc2c1)C(=O)NCC(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C)COC(=O)NC12CC3CC(CC(C3)C1)C2 |THB:48:49:52:56.54.55,54:53:50:56.55.57,54:55:52.53.58:50,57:55:52:58.49.50,57:49:52:56.54.55| Show InChI InChI=1S/C43H63N7O9/c1-25(2)37(49-39(54)34(11-7-8-14-44)47-36(53)24-58-33-13-12-31-9-5-6-10-32(31)18-33)40(55)45-22-35(52)48-38(27(4)51)41(56)46-26(3)23-59-42(57)50-43-19-28-15-29(20-43)17-30(16-28)21-43/h5-6,9-10,12-13,18,25-30,34,37-38,51H,7-8,11,14-17,19-24,44H2,1-4H3,(H,45,55)(H,46,56)(H,47,53)(H,48,52)(H,49,54)(H,50,57)/t26-,27+,28?,29?,30?,34-,37-,38-,43?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	8.00E+4	n/a	n/a	n/a	n/a	n/a
University of Hamburg Curated by ChEMBL					Assay Description Binding affinity to CD4 by SPR assay				J Med Chem 50: 3482-8 (2007) Article DOI: 10.1021/jm070206b BindingDB Entry DOI: 10.7270/Q2Q2412N
					More data for this Ligand-Target Pair