BDBM50069159 CHEMBL2375178::N-[(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)-pentyl]-2-(5-benzyl-3-cyanomethyl-[1,2,4]triazol-1-yl)-acetamide

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#N)nc1Cc1ccccc1

InChI Key: InChIKey=CTJBFJRLIYRRCN-BMILHVPESA-N

Data: 5 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 5 hits for monomerid = 50069159   

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))	BDBM50069159 (CHEMBL2375178 | N-[(R)-5-Amino-1-((1S,2S,6R,8S)-2,...) 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#N)nc1Cc1ccccc1 Show InChI InChI=1S/C28H39BN6O3/c1-27(2)20-16-21(27)28(3)22(17-20)37-29(38-28)23(11-7-8-13-30)32-26(36)18-35-25(33-24(34-35)12-14-31)15-19-9-5-4-6-10-19/h4-6,9-10,20-23H,7-8,11-13,15-18,30H2,1-3H3,(H,32,36)/t20-,21-,22+,23-,28-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.5	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 Concentration of the compound necessary to double the time required for clot formation induced by the addition of 4 NIH u/mL(final concentration) bov...				Bioorg Med Chem Lett 8: 775-80 (1999) BindingDB Entry DOI: 10.7270/Q2P84B1P
					More data for this Ligand-Target Pair
Trypsin-1 (Homo sapiens (Human))	BDBM50069159 (CHEMBL2375178 | N-[(R)-5-Amino-1-((1S,2S,6R,8S)-2,...) 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#N)nc1Cc1ccccc1 Show InChI InChI=1S/C28H39BN6O3/c1-27(2)20-16-21(27)28(3)22(17-20)37-29(38-28)23(11-7-8-13-30)32-26(36)18-35-25(33-24(34-35)12-14-31)15-19-9-5-4-6-10-19/h4-6,9-10,20-23H,7-8,11-13,15-18,30H2,1-3H3,(H,32,36)/t20-,21-,22+,23-,28-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	5.60	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))	BDBM50069159 (CHEMBL2375178 | N-[(R)-5-Amino-1-((1S,2S,6R,8S)-2,...) 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#N)nc1Cc1ccccc1 Show InChI InChI=1S/C28H39BN6O3/c1-27(2)20-16-21(27)28(3)22(17-20)37-29(38-28)23(11-7-8-13-30)32-26(36)18-35-25(33-24(34-35)12-14-31)15-19-9-5-4-6-10-19/h4-6,9-10,20-23H,7-8,11-13,15-18,30H2,1-3H3,(H,32,36)/t20-,21-,22+,23-,28-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	500	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))	BDBM50069159 (CHEMBL2375178 | N-[(R)-5-Amino-1-((1S,2S,6R,8S)-2,...) 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#N)nc1Cc1ccccc1 Show InChI InChI=1S/C28H39BN6O3/c1-27(2)20-16-21(27)28(3)22(17-20)37-29(38-28)23(11-7-8-13-30)32-26(36)18-35-25(33-24(34-35)12-14-31)15-19-9-5-4-6-10-19/h4-6,9-10,20-23H,7-8,11-13,15-18,30H2,1-3H3,(H,32,36)/t20-,21-,22+,23-,28-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4.20E+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))	BDBM50069159 (CHEMBL2375178 | N-[(R)-5-Amino-1-((1S,2S,6R,8S)-2,...) 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#N)nc1Cc1ccccc1 Show InChI InChI=1S/C28H39BN6O3/c1-27(2)20-16-21(27)28(3)22(17-20)37-29(38-28)23(11-7-8-13-30)32-26(36)18-35-25(33-24(34-35)12-14-31)15-19-9-5-4-6-10-19/h4-6,9-10,20-23H,7-8,11-13,15-18,30H2,1-3H3,(H,32,36)/t20-,21-,22+,23-,28-/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