BDBM50097772 3-Carbamimidoyl-N-[(R)-2-oxo-1-phenyl-2-(4-pyridin-4-yl-piperazin-1-yl)-ethyl]-benzamide::CHEMBL159375

SMILES: NC(=N)c1cccc(c1)C(=O)N[C@@H](C(=O)N1CCN(CC1)c1ccncc1)c1ccccc1

InChI Key: InChIKey=FNTOJBJUDKELHS-JOCHJYFZSA-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 = 50097772   

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))	BDBM50097772 (3-Carbamimidoyl-N-[(R)-2-oxo-1-phenyl-2-(4-pyridin...) Show SMILES NC(=N)c1cccc(c1)C(=O)N[C@@H](C(=O)N1CCN(CC1)c1ccncc1)c1ccccc1 Show InChI InChI=1S/C25H26N6O2/c26-23(27)19-7-4-8-20(17-19)24(32)29-22(18-5-2-1-3-6-18)25(33)31-15-13-30(14-16-31)21-9-11-28-12-10-21/h1-12,17,22H,13-16H2,(H3,26,27)(H,29,32)/t22-/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	13	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))	BDBM50097772 (3-Carbamimidoyl-N-[(R)-2-oxo-1-phenyl-2-(4-pyridin...) Show SMILES NC(=N)c1cccc(c1)C(=O)N[C@@H](C(=O)N1CCN(CC1)c1ccncc1)c1ccccc1 Show InChI InChI=1S/C25H26N6O2/c26-23(27)19-7-4-8-20(17-19)24(32)29-22(18-5-2-1-3-6-18)25(33)31-15-13-30(14-16-31)21-9-11-28-12-10-21/h1-12,17,22H,13-16H2,(H3,26,27)(H,29,32)/t22-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	560	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))	BDBM50097772 (3-Carbamimidoyl-N-[(R)-2-oxo-1-phenyl-2-(4-pyridin...) Show SMILES NC(=N)c1cccc(c1)C(=O)N[C@@H](C(=O)N1CCN(CC1)c1ccncc1)c1ccccc1 Show InChI InChI=1S/C25H26N6O2/c26-23(27)19-7-4-8-20(17-19)24(32)29-22(18-5-2-1-3-6-18)25(33)31-15-13-30(14-16-31)21-9-11-28-12-10-21/h1-12,17,22H,13-16H2,(H3,26,27)(H,29,32)/t22-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.78E+4	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