BDBM50069150 CHEMBL2373408::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-(3-cyanomethyl-5-phenethyl-[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)nc1CCc1ccccc1

InChI Key: InChIKey=MURLAVKNQRRIBB-UMWNSNATSA-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 = 50069150   

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))	BDBM50069150 (CHEMBL2373408 | 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)nc1CCc1ccccc1 Show InChI InChI=1S/C29H41BN6O3/c1-28(2)21-17-22(28)29(3)23(18-21)38-30(39-29)24(11-7-8-15-31)33-27(37)19-36-26(34-25(35-36)14-16-32)13-12-20-9-5-4-6-10-20/h4-6,9-10,21-24H,7-8,11-15,17-19,31H2,1-3H3,(H,33,37)/t21-,22-,23+,24-,29-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.60	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 against human thrombin				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))	BDBM50069150 (CHEMBL2373408 | 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)nc1CCc1ccccc1 Show InChI InChI=1S/C29H41BN6O3/c1-28(2)21-17-22(28)29(3)23(18-21)38-30(39-29)24(11-7-8-15-31)33-27(37)19-36-26(34-25(35-36)14-16-32)13-12-20-9-5-4-6-10-20/h4-6,9-10,21-24H,7-8,11-15,17-19,31H2,1-3H3,(H,33,37)/t21-,22-,23+,24-,29-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	12	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
Coagulation factor VII (Homo sapiens (Human))	BDBM50069150 (CHEMBL2373408 | 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)nc1CCc1ccccc1 Show InChI InChI=1S/C29H41BN6O3/c1-28(2)21-17-22(28)29(3)23(18-21)38-30(39-29)24(11-7-8-15-31)33-27(37)19-36-26(34-25(35-36)14-16-32)13-12-20-9-5-4-6-10-20/h4-6,9-10,21-24H,7-8,11-15,17-19,31H2,1-3H3,(H,33,37)/t21-,22-,23+,24-,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))	BDBM50069150 (CHEMBL2373408 | 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)nc1CCc1ccccc1 Show InChI InChI=1S/C29H41BN6O3/c1-28(2)21-17-22(28)29(3)23(18-21)38-30(39-29)24(11-7-8-15-31)33-27(37)19-36-26(34-25(35-36)14-16-32)13-12-20-9-5-4-6-10-20/h4-6,9-10,21-24H,7-8,11-15,17-19,31H2,1-3H3,(H,33,37)/t21-,22-,23+,24-,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