BDBM50069153 (1-{[(R)-5-Amino-1-((1S,2S,6R,8S)-2,9,9-trimethyl-3,5-dioxa-4-bora-tricyclo[6.1.1.0*2,6*]dec-4-yl)-pentylcarbamoyl]-methyl}-5-benzyl-1H-[1,2,4]triazol-3-yl)-acetic acid methyl ester::CHEMBL2373555

SMILES: [H][C@@]12C[C@@]([H])(C1(C)C)[C@]1(C)OB(O[C@]1([H])C2)[C@H](CCCCN)NC(=O)Cn1nc(CC(=O)OC)nc1Cc1ccccc1

InChI Key: InChIKey=ONNPVMQMNAGBTO-QLJXJWLFSA-N

Data: 3 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 3 hits for monomerid = 50069153   

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))	BDBM50069153 ((1-{[(R)-5-Amino-1-((1S,2S,6R,8S)-2,9,9-trimethyl-...) Show SMILES [H][C@@]12C[C@@]([H])(C1(C)C)[C@]1(C)OB(O[C@]1([H])C2)[C@H](CCCCN)NC(=O)Cn1nc(CC(=O)OC)nc1Cc1ccccc1 Show InChI InChI=1S/C29H42BN5O5/c1-28(2)20-15-21(28)29(3)22(16-20)39-30(40-29)23(12-8-9-13-31)32-26(36)18-35-25(14-19-10-6-5-7-11-19)33-24(34-35)17-27(37)38-4/h5-7,10-11,20-23H,8-9,12-18,31H2,1-4H3,(H,32,36)/t20-,21-,22+,23-,29-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	85	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Merck Pharmaceutical Company Curated by ChEMBL					Assay Description Inhibition against human thrombin				Bioorg Med Chem Lett 8: 775-80 (1999) BindingDB Entry DOI: 10.7270/Q2P84B1P
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50069153 ((1-{[(R)-5-Amino-1-((1S,2S,6R,8S)-2,9,9-trimethyl-...) Show SMILES [H][C@@]12C[C@@]([H])(C1(C)C)[C@]1(C)OB(O[C@]1([H])C2)[C@H](CCCCN)NC(=O)Cn1nc(CC(=O)OC)nc1Cc1ccccc1 Show InChI InChI=1S/C29H42BN5O5/c1-28(2)20-15-21(28)29(3)22(16-20)39-30(40-29)23(12-8-9-13-31)32-26(36)18-35-25(14-19-10-6-5-7-11-19)33-24(34-35)17-27(37)38-4/h5-7,10-11,20-23H,8-9,12-18,31H2,1-4H3,(H,32,36)/t20-,21-,22+,23-,29-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>6.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Merck Pharmaceutical Company Curated by ChEMBL					Assay Description Inhibition against human coagulation factor Xa				Bioorg Med Chem Lett 8: 775-80 (1999) BindingDB Entry DOI: 10.7270/Q2P84B1P
					More data for this Ligand-Target Pair
Coagulation factor VII (Homo sapiens (Human))	BDBM50069153 ((1-{[(R)-5-Amino-1-((1S,2S,6R,8S)-2,9,9-trimethyl-...) Show SMILES [H][C@@]12C[C@@]([H])(C1(C)C)[C@]1(C)OB(O[C@]1([H])C2)[C@H](CCCCN)NC(=O)Cn1nc(CC(=O)OC)nc1Cc1ccccc1 Show InChI InChI=1S/C29H42BN5O5/c1-28(2)20-15-21(28)29(3)22(16-20)39-30(40-29)23(12-8-9-13-31)32-26(36)18-35-25(14-19-10-6-5-7-11-19)33-24(34-35)17-27(37)38-4/h5-7,10-11,20-23H,8-9,12-18,31H2,1-4H3,(H,32,36)/t20-,21-,22+,23-,29-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.40E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Merck Pharmaceutical Company Curated by ChEMBL					Assay Description Inhibition against human Coagulation factor VII				Bioorg Med Chem Lett 8: 775-80 (1999) BindingDB Entry DOI: 10.7270/Q2P84B1P
					More data for this Ligand-Target Pair