BDBM50110748 (3-Carbamimidoyl-benzoylamino)-phenyl-acetic acid 2-(1-carbamimidoyl-piperidin-4-yl)-ethyl ester::CHEMBL20733

SMILES: NC(=N)N1CCC(CCOC(=O)[C@H](NC(=O)c2cccc(c2)C(N)=N)c2ccccc2)CC1

InChI Key: InChIKey=PAZBPIOYCPMZGY-HXUWFJFHSA-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 = 50110748   

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))	BDBM50110748 ((3-Carbamimidoyl-benzoylamino)-phenyl-acetic acid ...) Show SMILES NC(=N)N1CCC(CCOC(=O)[C@H](NC(=O)c2cccc(c2)C(N)=N)c2ccccc2)CC1 Show InChI InChI=1S/C24H30N6O3/c25-21(26)18-7-4-8-19(15-18)22(31)29-20(17-5-2-1-3-6-17)23(32)33-14-11-16-9-12-30(13-10-16)24(27)28/h1-8,15-16,20H,9-14H2,(H3,25,26)(H3,27,28)(H,29,31)/t20-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	26	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Protherics Molecular Design Curated by ChEMBL					Assay Description Inhibitory concentration against human Coagulation factor Xa (fXa)				J Med Chem 45: 1221-32 (2002) BindingDB Entry DOI: 10.7270/Q2319V5W
					More data for this Ligand-Target Pair
Trypsin (Bos taurus (bovine))	BDBM50110748 ((3-Carbamimidoyl-benzoylamino)-phenyl-acetic acid ...) Show SMILES NC(=N)N1CCC(CCOC(=O)[C@H](NC(=O)c2cccc(c2)C(N)=N)c2ccccc2)CC1 Show InChI InChI=1S/C24H30N6O3/c25-21(26)18-7-4-8-19(15-18)22(31)29-20(17-5-2-1-3-6-17)23(32)33-14-11-16-9-12-30(13-10-16)24(27)28/h1-8,15-16,20H,9-14H2,(H3,25,26)(H3,27,28)(H,29,31)/t20-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Protherics Molecular Design Curated by ChEMBL					Assay Description Inhibitory concentration against bovine trypsin				J Med Chem 45: 1221-32 (2002) BindingDB Entry DOI: 10.7270/Q2319V5W
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50110748 ((3-Carbamimidoyl-benzoylamino)-phenyl-acetic acid ...) Show SMILES NC(=N)N1CCC(CCOC(=O)[C@H](NC(=O)c2cccc(c2)C(N)=N)c2ccccc2)CC1 Show InChI InChI=1S/C24H30N6O3/c25-21(26)18-7-4-8-19(15-18)22(31)29-20(17-5-2-1-3-6-17)23(32)33-14-11-16-9-12-30(13-10-16)24(27)28/h1-8,15-16,20H,9-14H2,(H3,25,26)(H3,27,28)(H,29,31)/t20-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	8.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Protherics Molecular Design Curated by ChEMBL					Assay Description Inhibitory concentration against thrombin.				J Med Chem 45: 1221-32 (2002) BindingDB Entry DOI: 10.7270/Q2319V5W
					More data for this Ligand-Target Pair