BDBM23877 3-[(2S)-2-(anthracene-2-sulfonamido)-3-[4-(3-carbamimidamidopropanoyl)piperazin-1-yl]-3-oxopropyl]benzene-1-carboximidamide::3-amidinophenylalanine deriv., 21

SMILES: [#7]\[#6](-[#7])=[#7]/[#6]-[#6]-[#6](=O)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](=O)-[#6@H](-[#6]-c1cccc(c1)-[#6](-[#7])=[#7])-[#7]S(=O)(=O)c1ccc2cc3ccccc3cc2c1

InChI Key: InChIKey=MWSPRZRMYFBDLK-NDEPHWFRSA-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 = 23877   

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
Matriptase (Homo sapiens (Human))	BDBM23877 (3-[(2S)-2-(anthracene-2-sulfonamido)-3-[4-(3-carba...) Show SMILES NC(N)=NCCC(=O)N1CCN(CC1)C(=O)[C@H](Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1ccc2cc3ccccc3cc2c1 Show InChI InChI=1S/C32H36N8O4S/c33-30(34)25-7-3-4-21(16-25)17-28(31(42)40-14-12-39(13-15-40)29(41)10-11-37-32(35)36)38-45(43,44)27-9-8-24-18-22-5-1-2-6-23(22)19-26(24)20-27/h1-9,16,18-20,28,38H,10-15,17H2,(H3,33,34)(H4,35,36,37)/t28-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar	PC cid PC sid UniChem Patents Similars	Article PubMed	44	-10.0	n/a	n/a	n/a	n/a	n/a	8.0	25
Curacyte Chemistry GmbH					Assay Description The measurements were carried out on a microplate reader. Two concentrations of the substrate and five concentrations of the inhibitor were used. Af...				J Med Chem 49: 4116-26 (2006) Article DOI: 10.1021/jm051272l BindingDB Entry DOI: 10.7270/Q21C1V64
					More data for this Ligand-Target Pair				3D Structure (docked)
Thrombin (Bos taurus (Bovine))	BDBM23877 (3-[(2S)-2-(anthracene-2-sulfonamido)-3-[4-(3-carba...) Show SMILES NC(N)=NCCC(=O)N1CCN(CC1)C(=O)[C@H](Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1ccc2cc3ccccc3cc2c1 Show InChI InChI=1S/C32H36N8O4S/c33-30(34)25-7-3-4-21(16-25)17-28(31(42)40-14-12-39(13-15-40)29(41)10-11-37-32(35)36)38-45(43,44)27-9-8-24-18-22-5-1-2-6-23(22)19-26(24)20-27/h1-9,16,18-20,28,38H,10-15,17H2,(H3,33,34)(H4,35,36,37)/t28-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar	PC cid PC sid UniChem Patents Similars	Article PubMed	460	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Curacyte Chemistry GmbH					Assay Description The measurements were carried out on a microplate reader. Two concentrations of the substrate and five concentrations of the inhibitor were used. Af...				J Med Chem 49: 4116-26 (2006) Article DOI: 10.1021/jm051272l BindingDB Entry DOI: 10.7270/Q21C1V64
					More data for this Ligand-Target Pair
Plasminogen (Homo sapiens (Human))	BDBM23877 (3-[(2S)-2-(anthracene-2-sulfonamido)-3-[4-(3-carba...) Show SMILES NC(N)=NCCC(=O)N1CCN(CC1)C(=O)[C@H](Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1ccc2cc3ccccc3cc2c1 Show InChI InChI=1S/C32H36N8O4S/c33-30(34)25-7-3-4-21(16-25)17-28(31(42)40-14-12-39(13-15-40)29(41)10-11-37-32(35)36)38-45(43,44)27-9-8-24-18-22-5-1-2-6-23(22)19-26(24)20-27/h1-9,16,18-20,28,38H,10-15,17H2,(H3,33,34)(H4,35,36,37)/t28-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar	PC cid PC sid UniChem Patents Similars	Article PubMed	3.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Curacyte Chemistry GmbH					Assay Description The measurements were carried out on a microplate reader. Two concentrations of the substrate and five concentrations of the inhibitor were used. Af...				J Med Chem 49: 4116-26 (2006) Article DOI: 10.1021/jm051272l BindingDB Entry DOI: 10.7270/Q21C1V64
					More data for this Ligand-Target Pair
Factor Xa (fXa) (Bos taurus)	BDBM23877 (3-[(2S)-2-(anthracene-2-sulfonamido)-3-[4-(3-carba...) Show SMILES NC(N)=NCCC(=O)N1CCN(CC1)C(=O)[C@H](Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1ccc2cc3ccccc3cc2c1 Show InChI InChI=1S/C32H36N8O4S/c33-30(34)25-7-3-4-21(16-25)17-28(31(42)40-14-12-39(13-15-40)29(41)10-11-37-32(35)36)38-45(43,44)27-9-8-24-18-22-5-1-2-6-23(22)19-26(24)20-27/h1-9,16,18-20,28,38H,10-15,17H2,(H3,33,34)(H4,35,36,37)/t28-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	PC cid PC sid UniChem Patents Similars	Article PubMed	4.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Curacyte Chemistry GmbH					Assay Description The measurements were carried out on a microplate reader. Two concentrations of the substrate and five concentrations of the inhibitor were used. Af...				J Med Chem 49: 4116-26 (2006) Article DOI: 10.1021/jm051272l BindingDB Entry DOI: 10.7270/Q21C1V64
					More data for this Ligand-Target Pair
Urokinase-type plasminogen activator (Homo sapiens (Human))	BDBM23877 (3-[(2S)-2-(anthracene-2-sulfonamido)-3-[4-(3-carba...) Show SMILES NC(N)=NCCC(=O)N1CCN(CC1)C(=O)[C@H](Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1ccc2cc3ccccc3cc2c1 Show InChI InChI=1S/C32H36N8O4S/c33-30(34)25-7-3-4-21(16-25)17-28(31(42)40-14-12-39(13-15-40)29(41)10-11-37-32(35)36)38-45(43,44)27-9-8-24-18-22-5-1-2-6-23(22)19-26(24)20-27/h1-9,16,18-20,28,38H,10-15,17H2,(H3,33,34)(H4,35,36,37)/t28-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar	PC cid PC sid UniChem Patents Similars	Article PubMed	6.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Curacyte Chemistry GmbH					Assay Description The measurements were carried out on a microplate reader. Two concentrations of the substrate and five concentrations of the inhibitor were used. Af...				J Med Chem 49: 4116-26 (2006) Article DOI: 10.1021/jm051272l BindingDB Entry DOI: 10.7270/Q21C1V64
					More data for this Ligand-Target Pair