BDBM50289590 3-Methyl-biphenyl-4-carboxylic acid [(R)-5-amino-1-((2S,6R)-2,9,9-trimethyl-3,5-dioxa-4-bora-tricyclo[6.1.1.0*2,6*]dec-4-yl)-pentyl]-amide::CHEMBL42852

SMILES: Cc1cc(ccc1C(=O)N[C@@H](CCCCN)B1O[C@@H]2CC3CC(C3(C)C)[C@]2(C)O1)-c1ccccc1

InChI Key: InChIKey=ZKYMRBXSSAZLLC-WZNGLVLTSA-N

Data: 1 KI

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 = 50289590   

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
Prothrombin (Homo sapiens (Human))	BDBM50289590 (3-Methyl-biphenyl-4-carboxylic acid [(R)-5-amino-1...) Show SMILES Cc1cc(ccc1C(=O)N[C@@H](CCCCN)B1O[C@@H]2CC3CC(C3(C)C)[C@]2(C)O1)-c1ccccc1 |TLB:28:26:23:21,THB:27:26:23:21| Show InChI InChI=1S/C29H39BN2O3/c1-19-16-21(20-10-6-5-7-11-20)13-14-23(19)27(33)32-26(12-8-9-15-31)30-34-25-18-22-17-24(28(22,2)3)29(25,4)35-30/h5-7,10-11,13-14,16,22,24-26H,8-9,12,15,17-18,31H2,1-4H3,(H,32,33)/t22?,24?,25-,26+,29+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	26	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of thrombin				Bioorg Med Chem Lett 7: 1595-1600 (1997) Article DOI: 10.1016/S0960-894X(97)00254-0 BindingDB Entry DOI: 10.7270/Q2VQ32PJ
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