BDBM50131474 (S)-20-Benzyl-25-chloro-1,4,13,18,21,23-hexaaza-tricyclo[20.3.1.0*6,11*]hexacosa-6(11),7,9,22,24-pentaene-3,26-dione::CHEMBL329912

SMILES: Clc1cnc2N[C@@H](Cc3ccccc3)CNCCCCNCc3ccccc3CNC(=O)Cn1c2=O

InChI Key: InChIKey=XYHOPCIUIJZGAQ-QHCPKHFHSA-N

Data: 3 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 3 hits for monomerid = 50131474   

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))	BDBM50131474 ((S)-20-Benzyl-25-chloro-1,4,13,18,21,23-hexaaza-tr...) Show SMILES Clc1cnc2N[C@@H](Cc3ccccc3)CNCCCCNCc3ccccc3CNC(=O)Cn1c2=O Show InChI InChI=1S/C27H33ClN6O2/c28-24-18-32-26-27(36)34(24)19-25(35)31-16-22-11-5-4-10-21(22)15-29-12-6-7-13-30-17-23(33-26)14-20-8-2-1-3-9-20/h1-5,8-11,18,23,29-30H,6-7,12-17,19H2,(H,31,35)(H,32,33)/t23-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.510	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against thrombin IIa				Bioorg Med Chem Lett 13: 2781-4 (2003) BindingDB Entry DOI: 10.7270/Q2GF0V2P
					More data for this Ligand-Target Pair
Trypsin-1 (Homo sapiens (Human))	BDBM50131474 ((S)-20-Benzyl-25-chloro-1,4,13,18,21,23-hexaaza-tr...) Show SMILES Clc1cnc2N[C@@H](Cc3ccccc3)CNCCCCNCc3ccccc3CNC(=O)Cn1c2=O Show InChI InChI=1S/C27H33ClN6O2/c28-24-18-32-26-27(36)34(24)19-25(35)31-16-22-11-5-4-10-21(22)15-29-12-6-7-13-30-17-23(33-26)14-20-8-2-1-3-9-20/h1-5,8-11,18,23,29-30H,6-7,12-17,19H2,(H,31,35)(H,32,33)/t23-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4.10E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against human trypsin				Bioorg Med Chem Lett 13: 2781-4 (2003) BindingDB Entry DOI: 10.7270/Q2GF0V2P
					More data for this Ligand-Target Pair
Tissue-type plasminogen activator (Homo sapiens (Human))	BDBM50131474 ((S)-20-Benzyl-25-chloro-1,4,13,18,21,23-hexaaza-tr...) Show SMILES Clc1cnc2N[C@@H](Cc3ccccc3)CNCCCCNCc3ccccc3CNC(=O)Cn1c2=O Show InChI InChI=1S/C27H33ClN6O2/c28-24-18-32-26-27(36)34(24)19-25(35)31-16-22-11-5-4-10-21(22)15-29-12-6-7-13-30-17-23(33-26)14-20-8-2-1-3-9-20/h1-5,8-11,18,23,29-30H,6-7,12-17,19H2,(H,31,35)(H,32,33)/t23-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.65E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against Tissue plasminogen activator				Bioorg Med Chem Lett 13: 2781-4 (2003) BindingDB Entry DOI: 10.7270/Q2GF0V2P
					More data for this Ligand-Target Pair