BDBM50062037 3-[3-amino(imino)methylphenyl]-5-[4-amino(imino)methylphenyl]-1-(1H-1-pyrrolyl)-1-pentanone::CHEMBL158063

SMILES: NC(=N)c1ccc(CCC(CC(=O)n2cccc2)c2cccc(c2)C(N)=N)cc1

InChI Key: InChIKey=BUCDGKAYINVMCV-UHFFFAOYSA-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 = 50062037   

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
Trypsin-1 (Homo sapiens (Human))	BDBM50062037 (3-[3-amino(imino)methylphenyl]-5-[4-amino(imino)me...) Show SMILES NC(=N)c1ccc(CCC(CC(=O)n2cccc2)c2cccc(c2)C(N)=N)cc1 Show InChI InChI=1S/C23H25N5O/c24-22(25)17-9-6-16(7-10-17)8-11-19(15-21(29)28-12-1-2-13-28)18-4-3-5-20(14-18)23(26)27/h1-7,9-10,12-14,19H,8,11,15H2,(H3,24,25)(H3,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	440	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Merck Pharmaceutical Company Curated by ChEMBL					Assay Description In vitro inhibition of trypsin				J Med Chem 41: 53-62 (1998) Article DOI: 10.1021/jm970485a BindingDB Entry DOI: 10.7270/Q2R49PW5
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50062037 (3-[3-amino(imino)methylphenyl]-5-[4-amino(imino)me...) Show SMILES NC(=N)c1ccc(CCC(CC(=O)n2cccc2)c2cccc(c2)C(N)=N)cc1 Show InChI InChI=1S/C23H25N5O/c24-22(25)17-9-6-16(7-10-17)8-11-19(15-21(29)28-12-1-2-13-28)18-4-3-5-20(14-18)23(26)27/h1-7,9-10,12-14,19H,8,11,15H2,(H3,24,25)(H3,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	1.15E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Merck Pharmaceutical Company Curated by ChEMBL					Assay Description In vitro inhibition of Coagulation factor X				J Med Chem 41: 53-62 (1998) Article DOI: 10.1021/jm970485a BindingDB Entry DOI: 10.7270/Q2R49PW5
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50062037 (3-[3-amino(imino)methylphenyl]-5-[4-amino(imino)me...) Show SMILES NC(=N)c1ccc(CCC(CC(=O)n2cccc2)c2cccc(c2)C(N)=N)cc1 Show InChI InChI=1S/C23H25N5O/c24-22(25)17-9-6-16(7-10-17)8-11-19(15-21(29)28-12-1-2-13-28)18-4-3-5-20(14-18)23(26)27/h1-7,9-10,12-14,19H,8,11,15H2,(H3,24,25)(H3,26,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	2.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Merck Pharmaceutical Company Curated by ChEMBL					Assay Description In vitro inhibition of thrombin				J Med Chem 41: 53-62 (1998) Article DOI: 10.1021/jm970485a BindingDB Entry DOI: 10.7270/Q2R49PW5
					More data for this Ligand-Target Pair