BDBM50069163 3-(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)-propionic acid::CHEMBL2373400

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

InChI Key: InChIKey=CEXXVNUPCUBEML-QLJXJWLFSA-N

Data: 4 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 4 hits for monomerid = 50069163   

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
Trypsin-1 (Homo sapiens (Human))	BDBM50069163 (3-(1-{[(R)-5-Amino-1-((1S,2S,6R,8S)-2,9,9-trimethy...) 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(CCC(O)=O)nc1Cc1ccccc1 Show InChI InChI=1S/C29H42BN5O5/c1-28(2)20-16-21(28)29(3)22(17-20)39-30(40-29)23(11-7-8-14-31)32-26(36)18-35-25(15-19-9-5-4-6-10-19)33-24(34-35)12-13-27(37)38/h4-6,9-10,20-23H,7-8,11-18,31H2,1-3H3,(H,32,36)(H,37,38)/t20-,21-,22+,23-,29-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	7.10	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 of trypsin				Bioorg Med Chem Lett 8: 775-80 (1999) BindingDB Entry DOI: 10.7270/Q2P84B1P
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50069163 (3-(1-{[(R)-5-Amino-1-((1S,2S,6R,8S)-2,9,9-trimethy...) 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(CCC(O)=O)nc1Cc1ccccc1 Show InChI InChI=1S/C29H42BN5O5/c1-28(2)20-16-21(28)29(3)22(17-20)39-30(40-29)23(11-7-8-14-31)32-26(36)18-35-25(15-19-9-5-4-6-10-19)33-24(34-35)12-13-27(37)38/h4-6,9-10,20-23H,7-8,11-18,31H2,1-3H3,(H,32,36)(H,37,38)/t20-,21-,22+,23-,29-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	230	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 VII (Homo sapiens (Human))	BDBM50069163 (3-(1-{[(R)-5-Amino-1-((1S,2S,6R,8S)-2,9,9-trimethy...) 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(CCC(O)=O)nc1Cc1ccccc1 Show InChI InChI=1S/C29H42BN5O5/c1-28(2)20-16-21(28)29(3)22(17-20)39-30(40-29)23(11-7-8-14-31)32-26(36)18-35-25(15-19-9-5-4-6-10-19)33-24(34-35)12-13-27(37)38/h4-6,9-10,20-23H,7-8,11-18,31H2,1-3H3,(H,32,36)(H,37,38)/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	>3.00E+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 VII				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))	BDBM50069163 (3-(1-{[(R)-5-Amino-1-((1S,2S,6R,8S)-2,9,9-trimethy...) 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(CCC(O)=O)nc1Cc1ccccc1 Show InChI InChI=1S/C29H42BN5O5/c1-28(2)20-16-21(28)29(3)22(17-20)39-30(40-29)23(11-7-8-14-31)32-26(36)18-35-25(15-19-9-5-4-6-10-19)33-24(34-35)12-13-27(37)38/h4-6,9-10,20-23H,7-8,11-18,31H2,1-3H3,(H,32,36)(H,37,38)/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