BDBM50069165 CHEMBL2373346::N-(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-ylmethyl)-isobutyramide

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

InChI Key: InChIKey=ZSGGXQZFQUHUPY-IKNSMAACSA-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 = 50069165   

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))	BDBM50069165 (CHEMBL2373346 | N-(1-{[(R)-5-Amino-1-((1S,2S,6R,8S...) 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(CNC(=O)C(C)C)nc1Cc1ccccc1 Show InChI InChI=1S/C31H47BN6O4/c1-20(2)29(40)34-18-26-36-27(15-21-11-7-6-8-12-21)38(37-26)19-28(39)35-25(13-9-10-14-33)32-41-24-17-22-16-23(30(22,3)4)31(24,5)42-32/h6-8,11-12,20,22-25H,9-10,13-19,33H2,1-5H3,(H,34,40)(H,35,39)/t22-,23-,24+,25-,31-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	9.60	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))	BDBM50069165 (CHEMBL2373346 | N-(1-{[(R)-5-Amino-1-((1S,2S,6R,8S...) 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(CNC(=O)C(C)C)nc1Cc1ccccc1 Show InChI InChI=1S/C31H47BN6O4/c1-20(2)29(40)34-18-26-36-27(15-21-11-7-6-8-12-21)38(37-26)19-28(39)35-25(13-9-10-14-33)32-41-24-17-22-16-23(30(22,3)4)31(24,5)42-32/h6-8,11-12,20,22-25H,9-10,13-19,33H2,1-5H3,(H,34,40)(H,35,39)/t22-,23-,24+,25-,31-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	160	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))	BDBM50069165 (CHEMBL2373346 | N-(1-{[(R)-5-Amino-1-((1S,2S,6R,8S...) 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(CNC(=O)C(C)C)nc1Cc1ccccc1 Show InChI InChI=1S/C31H47BN6O4/c1-20(2)29(40)34-18-26-36-27(15-21-11-7-6-8-12-21)38(37-26)19-28(39)35-25(13-9-10-14-33)32-41-24-17-22-16-23(30(22,3)4)31(24,5)42-32/h6-8,11-12,20,22-25H,9-10,13-19,33H2,1-5H3,(H,34,40)(H,35,39)/t22-,23-,24+,25-,31-/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))	BDBM50069165 (CHEMBL2373346 | N-(1-{[(R)-5-Amino-1-((1S,2S,6R,8S...) 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(CNC(=O)C(C)C)nc1Cc1ccccc1 Show InChI InChI=1S/C31H47BN6O4/c1-20(2)29(40)34-18-26-36-27(15-21-11-7-6-8-12-21)38(37-26)19-28(39)35-25(13-9-10-14-33)32-41-24-17-22-16-23(30(22,3)4)31(24,5)42-32/h6-8,11-12,20,22-25H,9-10,13-19,33H2,1-5H3,(H,34,40)(H,35,39)/t22-,23-,24+,25-,31-/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