BDBM50097759 3-Carbamimidoyl-N-[(R)-2-oxo-1-phenyl-2-(4-phenyl-piperazin-1-yl)-ethyl]-benzamide::CHEMBL435865

SMILES: NC(=N)c1cccc(c1)C(=O)N[C@@H](C(=O)N1CCN(CC1)c1ccccc1)c1ccccc1

InChI Key: InChIKey=FKYSRGARKISERA-HSZRJFAPSA-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 = 50097759   

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
Coagulation factor X (Homo sapiens (Human))	BDBM50097759 (3-Carbamimidoyl-N-[(R)-2-oxo-1-phenyl-2-(4-phenyl-...) Show SMILES NC(=N)c1cccc(c1)C(=O)N[C@@H](C(=O)N1CCN(CC1)c1ccccc1)c1ccccc1 Show InChI InChI=1S/C26H27N5O2/c27-24(28)20-10-7-11-21(18-20)25(32)29-23(19-8-3-1-4-9-19)26(33)31-16-14-30(15-17-31)22-12-5-2-6-13-22/h1-13,18,23H,14-17H2,(H3,27,28)(H,29,32)/t23-/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	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Prosthetics Molecular Design Curated by ChEMBL					Assay Description Binding affinity against human coagulation factor Xa				Bioorg Med Chem Lett 11: 733-6 (2001) BindingDB Entry DOI: 10.7270/Q2M32V0B
					More data for this Ligand-Target Pair
Trypsin-1 (Homo sapiens (Human))	BDBM50097759 (3-Carbamimidoyl-N-[(R)-2-oxo-1-phenyl-2-(4-phenyl-...) Show SMILES NC(=N)c1cccc(c1)C(=O)N[C@@H](C(=O)N1CCN(CC1)c1ccccc1)c1ccccc1 Show InChI InChI=1S/C26H27N5O2/c27-24(28)20-10-7-11-21(18-20)25(32)29-23(19-8-3-1-4-9-19)26(33)31-16-14-30(15-17-31)22-12-5-2-6-13-22/h1-13,18,23H,14-17H2,(H3,27,28)(H,29,32)/t23-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	340	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Prosthetics Molecular Design Curated by ChEMBL					Assay Description Binding affinity against human trypsin				Bioorg Med Chem Lett 11: 733-6 (2001) BindingDB Entry DOI: 10.7270/Q2M32V0B
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50097759 (3-Carbamimidoyl-N-[(R)-2-oxo-1-phenyl-2-(4-phenyl-...) Show SMILES NC(=N)c1cccc(c1)C(=O)N[C@@H](C(=O)N1CCN(CC1)c1ccccc1)c1ccccc1 Show InChI InChI=1S/C26H27N5O2/c27-24(28)20-10-7-11-21(18-20)25(32)29-23(19-8-3-1-4-9-19)26(33)31-16-14-30(15-17-31)22-12-5-2-6-13-22/h1-13,18,23H,14-17H2,(H3,27,28)(H,29,32)/t23-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.74E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Prosthetics Molecular Design Curated by ChEMBL					Assay Description Affinity for human thrombin				Bioorg Med Chem Lett 11: 733-6 (2001) BindingDB Entry DOI: 10.7270/Q2M32V0B
					More data for this Ligand-Target Pair