BDBM12795 5-amidinoindole 29::N-{[4-(1H-1,3-benzodiazol-1-yl)phenyl]methyl}-2-(5-carbamimidoyl-1H-indol-3-yl)-3-phenylpropanamide

SMILES: NC(=N)c1ccc2[nH]cc(C(Cc3ccccc3)C(=O)NCc3ccc(cc3)-n3cnc4ccccc34)c2c1

InChI Key: InChIKey=YQUZVLWPXTXQDM-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 12795   

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))	BDBM12795 (5-amidinoindole 29 | N-{[4-(1H-1,3-benzodiazol-1-y...) Show SMILES NC(=N)c1ccc2[nH]cc(C(Cc3ccccc3)C(=O)NCc3ccc(cc3)-n3cnc4ccccc34)c2c1 Show InChI InChI=1S/C32H28N6O/c33-31(34)23-12-15-28-25(17-23)27(19-35-28)26(16-21-6-2-1-3-7-21)32(39)36-18-22-10-13-24(14-11-22)38-20-37-29-8-4-5-9-30(29)38/h1-15,17,19-20,26,35H,16,18H2,(H3,33,34)(H,36,39)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	72	-9.64	n/a	n/a	n/a	n/a	n/a	7.0	22
Bristol-Myers Squibb Company					Assay Description Ki values were obtained from human purified enzyme. All assays were run in microtiter plates. Plates were read for 30 min at 405 nm. Rates were deter...				Bioorg Med Chem Lett 14: 5269-73 (2004) Article DOI: 10.1016/j.bmcl.2004.08.037 BindingDB Entry DOI: 10.7270/Q2PR7T6P
					More data for this Ligand-Target Pair
Coagulation factor IX (Homo sapiens (Human))	BDBM12795 (5-amidinoindole 29 | N-{[4-(1H-1,3-benzodiazol-1-y...) Show SMILES NC(=N)c1ccc2[nH]cc(C(Cc3ccccc3)C(=O)NCc3ccc(cc3)-n3cnc4ccccc34)c2c1 Show InChI InChI=1S/C32H28N6O/c33-31(34)23-12-15-28-25(17-23)27(19-35-28)26(16-21-6-2-1-3-7-21)32(39)36-18-22-10-13-24(14-11-22)38-20-37-29-8-4-5-9-30(29)38/h1-15,17,19-20,26,35H,16,18H2,(H3,33,34)(H,36,39)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	310	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company					Assay Description Ki values were obtained from human purified enzyme. All assays were run in microtiter plates. Plates were read for 30 min at 405 nm. Rates were deter...				Bioorg Med Chem Lett 14: 5269-73 (2004) Article DOI: 10.1016/j.bmcl.2004.08.037 BindingDB Entry DOI: 10.7270/Q2PR7T6P
					More data for this Ligand-Target Pair