BindingDB PrimarySearch

BDBM50066331 (S)-1-[(R)-2-Cyclohexyl-2-(diethylcarbamoylmethyl-amino)-acetyl]-pyrrolidine-2-carboxylic acid 2,5-dichloro-benzylamide::CHEMBL441468

SMILES: CCN(CC)C(=O)CN[C@H](C1CCCCC1)C(=O)N1CCC[C@H]1C(=O)NCc1cc(Cl)ccc1Cl

InChI Key: InChIKey=PGTZOYPMRUMGFH-LADGPHEKSA-N

Data: 7 KI

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 50066331
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Prothrombin (Homo sapiens (Human))	BDBM50066331 ((S)-1-[(R)-2-Cyclohexyl-2-(diethylcarbamoylmethyl-...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.310	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity of the compound was evaluated on serine protease thrombin.				J Med Chem 41: 3210-9 (1998) Article DOI: 10.1021/jm9801713 BindingDB Entry DOI: 10.7270/Q24Q7T4G
Merck Research Laboratories Curated by ChEMBL					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50066331 ((S)-1-[(R)-2-Cyclohexyl-2-(diethylcarbamoylmethyl-...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.310	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universite£ de Sherbrooke Curated by ChEMBL					Assay Description Inhibition of thrombin				J Med Chem 54: 1961-2004 (2011) Article DOI: 10.1021/jm1012374 BindingDB Entry DOI: 10.7270/Q28C9XDV
Universite£ de Sherbrooke Curated by ChEMBL					More data for this Ligand-Target Pair
Trypsin-1 (Homo sapiens (Human))	BDBM50066331 ((S)-1-[(R)-2-Cyclohexyl-2-(diethylcarbamoylmethyl-...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.70E+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 Binding affinity of the compound was evaluated on serine protease trypsin.				J Med Chem 41: 3210-9 (1998) Article DOI: 10.1021/jm9801713 BindingDB Entry DOI: 10.7270/Q24Q7T4G
Merck Research Laboratories Curated by ChEMBL					More data for this Ligand-Target Pair
Tissue-type plasminogen activator (Homo sapiens (Human))	BDBM50066331 ((S)-1-[(R)-2-Cyclohexyl-2-(diethylcarbamoylmethyl-...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.90E+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 Binding affinity of the compound was evaluated on serine protease TPA.				J Med Chem 41: 3210-9 (1998) Article DOI: 10.1021/jm9801713 BindingDB Entry DOI: 10.7270/Q24Q7T4G
Merck Research Laboratories Curated by ChEMBL					More data for this Ligand-Target Pair
Alpha-chymotrypsin (Bos taurus (bovine))	BDBM50066331 ((S)-1-[(R)-2-Cyclohexyl-2-(diethylcarbamoylmethyl-...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.74E+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 Binding affinity of the compound was evaluated on serine protease Chymotrypsinogen				J Med Chem 41: 3210-9 (1998) Article DOI: 10.1021/jm9801713 BindingDB Entry DOI: 10.7270/Q24Q7T4G
Merck Research Laboratories Curated by ChEMBL					More data for this Ligand-Target Pair
Plasminogen (Homo sapiens (Human))	BDBM50066331 ((S)-1-[(R)-2-Cyclohexyl-2-(diethylcarbamoylmethyl-...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.44E+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 Binding affinity of the compound was evaluated on serine protease plasmin.				J Med Chem 41: 3210-9 (1998) Article DOI: 10.1021/jm9801713 BindingDB Entry DOI: 10.7270/Q24Q7T4G
Merck Research Laboratories Curated by ChEMBL					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM50066331 ((S)-1-[(R)-2-Cyclohexyl-2-(diethylcarbamoylmethyl-...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.99E+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 Binding affinity of the compound was evaluated on serine protease plasma kallikrein.				J Med Chem 41: 3210-9 (1998) Article DOI: 10.1021/jm9801713 BindingDB Entry DOI: 10.7270/Q24Q7T4G
Merck Research Laboratories Curated by ChEMBL					More data for this Ligand-Target Pair