BDBM50085396 Biphenyl-4,4'-dicarboxylic acid 4-amide 4'-{[3-(5-carbamimidoyl-2-hydroxy-phenyl)-allyl]-amide}::CHEMBL68486

SMILES: NC(=N)c1ccc(O)c(\C=C\CNC(=O)c2ccc(cc2)-c2ccc(cc2)C(N)=O)c1

InChI Key: InChIKey=VTMNQCDKDGOLDD-OWOJBTEDSA-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 = 50085396   

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))	BDBM50085396 (Biphenyl-4,4'-dicarboxylic acid 4-amide 4'-{[3-(5-...) Show SMILES NC(=N)c1ccc(O)c(\C=C\CNC(=O)c2ccc(cc2)-c2ccc(cc2)C(N)=O)c1 Show InChI InChI=1S/C24H22N4O3/c25-22(26)20-11-12-21(29)19(14-20)2-1-13-28-24(31)18-9-5-16(6-10-18)15-3-7-17(8-4-15)23(27)30/h1-12,14,29H,13H2,(H3,25,26)(H2,27,30)(H,28,31)/b2-1+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Rhone-Poulenc Rorer Curated by ChEMBL					Assay Description In vitro inhibition of coagulation factor Xa.				Bioorg Med Chem Lett 10: 217-21 (2000) BindingDB Entry DOI: 10.7270/Q2M32TZG
					More data for this Ligand-Target Pair
Trypsin-1 (Homo sapiens (Human))	BDBM50085396 (Biphenyl-4,4'-dicarboxylic acid 4-amide 4'-{[3-(5-...) Show SMILES NC(=N)c1ccc(O)c(\C=C\CNC(=O)c2ccc(cc2)-c2ccc(cc2)C(N)=O)c1 Show InChI InChI=1S/C24H22N4O3/c25-22(26)20-11-12-21(29)19(14-20)2-1-13-28-24(31)18-9-5-16(6-10-18)15-3-7-17(8-4-15)23(27)30/h1-12,14,29H,13H2,(H3,25,26)(H2,27,30)(H,28,31)/b2-1+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Rhone-Poulenc Rorer Curated by ChEMBL					Assay Description In vitro inhibition of trypsin.				Bioorg Med Chem Lett 10: 217-21 (2000) BindingDB Entry DOI: 10.7270/Q2M32TZG
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50085396 (Biphenyl-4,4'-dicarboxylic acid 4-amide 4'-{[3-(5-...) Show SMILES NC(=N)c1ccc(O)c(\C=C\CNC(=O)c2ccc(cc2)-c2ccc(cc2)C(N)=O)c1 Show InChI InChI=1S/C24H22N4O3/c25-22(26)20-11-12-21(29)19(14-20)2-1-13-28-24(31)18-9-5-16(6-10-18)15-3-7-17(8-4-15)23(27)30/h1-12,14,29H,13H2,(H3,25,26)(H2,27,30)(H,28,31)/b2-1+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Rhone-Poulenc Rorer Curated by ChEMBL					Assay Description In vitro inhibition of coagulation factor IIa.				Bioorg Med Chem Lett 10: 217-21 (2000) BindingDB Entry DOI: 10.7270/Q2M32TZG
					More data for this Ligand-Target Pair