BDBM50111103 (S)-1-[(R)-3-(3,4-Dichloro-phenyl)-2-methanesulfonylamino-propionyl]-pyrrolidine-2-carboxylic acid 4-carbamimidoyl-benzylamide::CHEMBL268640

SMILES: CS(=O)(=O)N[C@H](Cc1ccc(Cl)c(Cl)c1)C(=O)N1CCC[C@H]1C(=O)NCc1ccc(cc1)C(N)=N

InChI Key: InChIKey=GDGNUENLKMKSGL-UXHICEINSA-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 = 50111103   

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))	BDBM50111103 ((S)-1-[(R)-3-(3,4-Dichloro-phenyl)-2-methanesulfon...) Show SMILES CS(=O)(=O)N[C@H](Cc1ccc(Cl)c(Cl)c1)C(=O)N1CCC[C@H]1C(=O)NCc1ccc(cc1)C(N)=N Show InChI InChI=1S/C23H27Cl2N5O4S/c1-35(33,34)29-19(12-15-6-9-17(24)18(25)11-15)23(32)30-10-2-3-20(30)22(31)28-13-14-4-7-16(8-5-14)21(26)27/h4-9,11,19-20,29H,2-3,10,12-13H2,1H3,(H3,26,27)(H,28,31)/t19-,20+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.0500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Life Science R&D, LGCI Curated by ChEMBL					Assay Description Binding affinity against human thrombin				Bioorg Med Chem Lett 12: 1017-22 (2002) BindingDB Entry DOI: 10.7270/Q2CV4J9T
					More data for this Ligand-Target Pair
Trypsin (Bos taurus (bovine))	BDBM50111103 ((S)-1-[(R)-3-(3,4-Dichloro-phenyl)-2-methanesulfon...) Show SMILES CS(=O)(=O)N[C@H](Cc1ccc(Cl)c(Cl)c1)C(=O)N1CCC[C@H]1C(=O)NCc1ccc(cc1)C(N)=N Show InChI InChI=1S/C23H27Cl2N5O4S/c1-35(33,34)29-19(12-15-6-9-17(24)18(25)11-15)23(32)30-10-2-3-20(30)22(31)28-13-14-4-7-16(8-5-14)21(26)27/h4-9,11,19-20,29H,2-3,10,12-13H2,1H3,(H3,26,27)(H,28,31)/t19-,20+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Life Science R&D, LGCI Curated by ChEMBL					Assay Description Binding affinity against bovine trypsin				Bioorg Med Chem Lett 12: 1017-22 (2002) BindingDB Entry DOI: 10.7270/Q2CV4J9T
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50111103 ((S)-1-[(R)-3-(3,4-Dichloro-phenyl)-2-methanesulfon...) Show SMILES CS(=O)(=O)N[C@H](Cc1ccc(Cl)c(Cl)c1)C(=O)N1CCC[C@H]1C(=O)NCc1ccc(cc1)C(N)=N Show InChI InChI=1S/C23H27Cl2N5O4S/c1-35(33,34)29-19(12-15-6-9-17(24)18(25)11-15)23(32)30-10-2-3-20(30)22(31)28-13-14-4-7-16(8-5-14)21(26)27/h4-9,11,19-20,29H,2-3,10,12-13H2,1H3,(H3,26,27)(H,28,31)/t19-,20+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Life Science R&D, LGCI Curated by ChEMBL					Assay Description Compound was evaluated for the binding affinity against human Coagulation factor Xa				Bioorg Med Chem Lett 12: 1017-22 (2002) BindingDB Entry DOI: 10.7270/Q2CV4J9T
					More data for this Ligand-Target Pair