BDBM50289597 4-Methyl-2-phenyl-pyrimidine-5-carboxylic acid [(R)-4-guanidino-1-((2S,6R)-2,9,9-trimethyl-3,5-dioxa-4-bora-tricyclo[6.1.1.0*2,6*]dec-4-yl)-butyl]-amide::CHEMBL290378

SMILES: Cc1nc(ncc1C(=O)N[C@@H](CCCNC(N)=N)B1O[C@@H]2CC3CC(C3(C)C)[C@]2(C)O1)-c1ccccc1

InChI Key: InChIKey=QKHXNTVBIWNRNM-BTKKBZPISA-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 = 50289597   

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))	BDBM50289597 (4-Methyl-2-phenyl-pyrimidine-5-carboxylic acid [(R...) Show SMILES Cc1nc(ncc1C(=O)N[C@@H](CCCNC(N)=N)B1O[C@@H]2CC3CC(C3(C)C)[C@]2(C)O1)-c1ccccc1 |TLB:30:28:25:23| Show InChI InChI=1S/C27H37BN6O3/c1-16-19(15-32-23(33-16)17-9-6-5-7-10-17)24(35)34-22(11-8-12-31-25(29)30)28-36-21-14-18-13-20(26(18,2)3)27(21,4)37-28/h5-7,9-10,15,18,20-22H,8,11-14H2,1-4H3,(H,34,35)(H4,29,30,31)/t18?,20?,21-,22+,27+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	10	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
					More data for this Ligand-Target Pair