BDBM50289580 CHEMBL290720::{3'-[(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)-butylcarbamoyl]-biphenyl-3-yl}-carbamic acid tert-butyl ester

SMILES: CC(C)(C)OC(=O)Nc1cccc(c1)-c1cccc(c1)C(=O)N[C@@H](CCCNC(N)=N)B1O[C@@H]2CC3CC(C3(C)C)[C@]2(C)O1

InChI Key: InChIKey=SNIMXCYVZZBPNP-ASHJTCRBSA-N

Data: 2 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 2 hits for monomerid = 50289580   

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))	BDBM50289580 (CHEMBL290720 | {3'-[(R)-4-Guanidino-1-((2S,6R)-2,9...) Show SMILES CC(C)(C)OC(=O)Nc1cccc(c1)-c1cccc(c1)C(=O)N[C@@H](CCCNC(N)=N)B1O[C@@H]2CC3CC(C3(C)C)[C@]2(C)O1 |TLB:43:41:38:36| Show InChI InChI=1S/C33H46BN5O5/c1-31(2,3)42-30(41)38-24-13-8-11-21(17-24)20-10-7-12-22(16-20)28(40)39-27(14-9-15-37-29(35)36)34-43-26-19-23-18-25(32(23,4)5)33(26,6)44-34/h7-8,10-13,16-17,23,25-27H,9,14-15,18-19H2,1-6H3,(H,38,41)(H,39,40)(H4,35,36,37)/t23?,25?,26-,27+,33+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	8.30	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
Trypsin-1 (Homo sapiens (Human))	BDBM50289580 (CHEMBL290720 | {3'-[(R)-4-Guanidino-1-((2S,6R)-2,9...) Show SMILES CC(C)(C)OC(=O)Nc1cccc(c1)-c1cccc(c1)C(=O)N[C@@H](CCCNC(N)=N)B1O[C@@H]2CC3CC(C3(C)C)[C@]2(C)O1 |TLB:43:41:38:36| Show InChI InChI=1S/C33H46BN5O5/c1-31(2,3)42-30(41)38-24-13-8-11-21(17-24)20-10-7-12-22(16-20)28(40)39-27(14-9-15-37-29(35)36)34-43-26-19-23-18-25(32(23,4)5)33(26,6)44-34/h7-8,10-13,16-17,23,25-27H,9,14-15,18-19H2,1-6H3,(H,38,41)(H,39,40)(H4,35,36,37)/t23?,25?,26-,27+,33+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	35	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of trypsin				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