BDBM50060711 (S)-1-(3,3-Dicyclohexyl-propionyl)-pyrrolidine-2-carboxylic acid (4-amino-cyclohexylmethyl)-amide; hydrochloride::CHEMBL555333

SMILES: NC1CCC(CNC(=O)[C@@H]2CCCN2C(=O)CC(C2CCCCC2)C2CCCCC2)CC1

InChI Key: InChIKey=CZXNACPIFMZJFW-QNAFOZIXSA-N

Data: 6 KI  1 K_on

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 6 hits for monomerid = 50060711   

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))	BDBM50060711 ((S)-1-(3,3-Dicyclohexyl-propionyl)-pyrrolidine-2-c...) Show SMILES NC1CCC(CNC(=O)[C@@H]2CCCN2C(=O)CC(C2CCCCC2)C2CCCCC2)CC1 |wU:9.8,(15.67,-13.97,;14.71,-12.78,;14.32,-11.52,;14.96,-9.91,;13.61,-9.14,;12.23,-8.51,;12.07,-6.97,;10.66,-6.35,;9.41,-7.26,;10.5,-4.82,;11.66,-3.8,;11.02,-2.39,;9.51,-2.55,;9.19,-4.05,;7.77,-4.66,;7.61,-6.2,;6.52,-3.76,;6.52,-2.22,;7.84,-1.44,;9.19,-2.21,;10.5,-1.44,;10.5,.1,;9.15,.87,;7.84,.09,;5.18,-1.45,;5.18,.1,;3.83,.87,;2.51,.1,;2.51,-1.45,;3.83,-2.22,;14.03,-10.31,;13.39,-12.01,)| Show InChI InChI=1S/C27H47N3O2/c28-23-15-13-20(14-16-23)19-29-27(32)25-12-7-17-30(25)26(31)18-24(21-8-3-1-4-9-21)22-10-5-2-6-11-22/h20-25H,1-19,28H2,(H,29,32)/t20?,23?,25-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	14	n/a	n/a	n/a	n/a	n/a	2.30E+3	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of Thrombin				J Med Chem 40: 3687-93 (1997) Article DOI: 10.1021/jm970397q BindingDB Entry DOI: 10.7270/Q20Z73ZQ
					More data for this Ligand-Target Pair
Trypsin-1 (Homo sapiens (Human))	BDBM50060711 ((S)-1-(3,3-Dicyclohexyl-propionyl)-pyrrolidine-2-c...) Show SMILES NC1CCC(CNC(=O)[C@@H]2CCCN2C(=O)CC(C2CCCCC2)C2CCCCC2)CC1 |wU:9.8,(15.67,-13.97,;14.71,-12.78,;14.32,-11.52,;14.96,-9.91,;13.61,-9.14,;12.23,-8.51,;12.07,-6.97,;10.66,-6.35,;9.41,-7.26,;10.5,-4.82,;11.66,-3.8,;11.02,-2.39,;9.51,-2.55,;9.19,-4.05,;7.77,-4.66,;7.61,-6.2,;6.52,-3.76,;6.52,-2.22,;7.84,-1.44,;9.19,-2.21,;10.5,-1.44,;10.5,.1,;9.15,.87,;7.84,.09,;5.18,-1.45,;5.18,.1,;3.83,.87,;2.51,.1,;2.51,-1.45,;3.83,-2.22,;14.03,-10.31,;13.39,-12.01,)| Show InChI InChI=1S/C27H47N3O2/c28-23-15-13-20(14-16-23)19-29-27(32)25-12-7-17-30(25)26(31)18-24(21-8-3-1-4-9-21)22-10-5-2-6-11-22/h20-25H,1-19,28H2,(H,29,32)/t20?,23?,25-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro inhibition of human trypsin.				J Med Chem 40: 3687-93 (1997) Article DOI: 10.1021/jm970397q BindingDB Entry DOI: 10.7270/Q20Z73ZQ
					More data for this Ligand-Target Pair
Tissue-type plasminogen activator (Homo sapiens (Human))	BDBM50060711 ((S)-1-(3,3-Dicyclohexyl-propionyl)-pyrrolidine-2-c...) Show SMILES NC1CCC(CNC(=O)[C@@H]2CCCN2C(=O)CC(C2CCCCC2)C2CCCCC2)CC1 |wU:9.8,(15.67,-13.97,;14.71,-12.78,;14.32,-11.52,;14.96,-9.91,;13.61,-9.14,;12.23,-8.51,;12.07,-6.97,;10.66,-6.35,;9.41,-7.26,;10.5,-4.82,;11.66,-3.8,;11.02,-2.39,;9.51,-2.55,;9.19,-4.05,;7.77,-4.66,;7.61,-6.2,;6.52,-3.76,;6.52,-2.22,;7.84,-1.44,;9.19,-2.21,;10.5,-1.44,;10.5,.1,;9.15,.87,;7.84,.09,;5.18,-1.45,;5.18,.1,;3.83,.87,;2.51,.1,;2.51,-1.45,;3.83,-2.22,;14.03,-10.31,;13.39,-12.01,)| Show InChI InChI=1S/C27H47N3O2/c28-23-15-13-20(14-16-23)19-29-27(32)25-12-7-17-30(25)26(31)18-24(21-8-3-1-4-9-21)22-10-5-2-6-11-22/h20-25H,1-19,28H2,(H,29,32)/t20?,23?,25-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.40E+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 serine protease TPA				J Med Chem 40: 3687-93 (1997) Article DOI: 10.1021/jm970397q BindingDB Entry DOI: 10.7270/Q20Z73ZQ
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM50060711 ((S)-1-(3,3-Dicyclohexyl-propionyl)-pyrrolidine-2-c...) Show SMILES NC1CCC(CNC(=O)[C@@H]2CCCN2C(=O)CC(C2CCCCC2)C2CCCCC2)CC1 |wU:9.8,(15.67,-13.97,;14.71,-12.78,;14.32,-11.52,;14.96,-9.91,;13.61,-9.14,;12.23,-8.51,;12.07,-6.97,;10.66,-6.35,;9.41,-7.26,;10.5,-4.82,;11.66,-3.8,;11.02,-2.39,;9.51,-2.55,;9.19,-4.05,;7.77,-4.66,;7.61,-6.2,;6.52,-3.76,;6.52,-2.22,;7.84,-1.44,;9.19,-2.21,;10.5,-1.44,;10.5,.1,;9.15,.87,;7.84,.09,;5.18,-1.45,;5.18,.1,;3.83,.87,;2.51,.1,;2.51,-1.45,;3.83,-2.22,;14.03,-10.31,;13.39,-12.01,)| Show InChI InChI=1S/C27H47N3O2/c28-23-15-13-20(14-16-23)19-29-27(32)25-12-7-17-30(25)26(31)18-24(21-8-3-1-4-9-21)22-10-5-2-6-11-22/h20-25H,1-19,28H2,(H,29,32)/t20?,23?,25-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.70E+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 serine protease plasma kallikrein				J Med Chem 40: 3687-93 (1997) Article DOI: 10.1021/jm970397q BindingDB Entry DOI: 10.7270/Q20Z73ZQ
					More data for this Ligand-Target Pair
Plasminogen (Homo sapiens (Human))	BDBM50060711 ((S)-1-(3,3-Dicyclohexyl-propionyl)-pyrrolidine-2-c...) Show SMILES NC1CCC(CNC(=O)[C@@H]2CCCN2C(=O)CC(C2CCCCC2)C2CCCCC2)CC1 |wU:9.8,(15.67,-13.97,;14.71,-12.78,;14.32,-11.52,;14.96,-9.91,;13.61,-9.14,;12.23,-8.51,;12.07,-6.97,;10.66,-6.35,;9.41,-7.26,;10.5,-4.82,;11.66,-3.8,;11.02,-2.39,;9.51,-2.55,;9.19,-4.05,;7.77,-4.66,;7.61,-6.2,;6.52,-3.76,;6.52,-2.22,;7.84,-1.44,;9.19,-2.21,;10.5,-1.44,;10.5,.1,;9.15,.87,;7.84,.09,;5.18,-1.45,;5.18,.1,;3.83,.87,;2.51,.1,;2.51,-1.45,;3.83,-2.22,;14.03,-10.31,;13.39,-12.01,)| Show InChI InChI=1S/C27H47N3O2/c28-23-15-13-20(14-16-23)19-29-27(32)25-12-7-17-30(25)26(31)18-24(21-8-3-1-4-9-21)22-10-5-2-6-11-22/h20-25H,1-19,28H2,(H,29,32)/t20?,23?,25-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.76E+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 serine protease plasmin				J Med Chem 40: 3687-93 (1997) Article DOI: 10.1021/jm970397q BindingDB Entry DOI: 10.7270/Q20Z73ZQ
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50060711 ((S)-1-(3,3-Dicyclohexyl-propionyl)-pyrrolidine-2-c...) Show SMILES NC1CCC(CNC(=O)[C@@H]2CCCN2C(=O)CC(C2CCCCC2)C2CCCCC2)CC1 |wU:9.8,(15.67,-13.97,;14.71,-12.78,;14.32,-11.52,;14.96,-9.91,;13.61,-9.14,;12.23,-8.51,;12.07,-6.97,;10.66,-6.35,;9.41,-7.26,;10.5,-4.82,;11.66,-3.8,;11.02,-2.39,;9.51,-2.55,;9.19,-4.05,;7.77,-4.66,;7.61,-6.2,;6.52,-3.76,;6.52,-2.22,;7.84,-1.44,;9.19,-2.21,;10.5,-1.44,;10.5,.1,;9.15,.87,;7.84,.09,;5.18,-1.45,;5.18,.1,;3.83,.87,;2.51,.1,;2.51,-1.45,;3.83,-2.22,;14.03,-10.31,;13.39,-12.01,)| Show InChI InChI=1S/C27H47N3O2/c28-23-15-13-20(14-16-23)19-29-27(32)25-12-7-17-30(25)26(31)18-24(21-8-3-1-4-9-21)22-10-5-2-6-11-22/h20-25H,1-19,28H2,(H,29,32)/t20?,23?,25-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.20E+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 serine protease Coagulation factor X				J Med Chem 40: 3687-93 (1997) Article DOI: 10.1021/jm970397q BindingDB Entry DOI: 10.7270/Q20Z73ZQ
					More data for this Ligand-Target Pair