BDBM14352 2-{5-[amino(iminiumyl)methyl]-6-chloro-1H-indol-2-yl}-4-(dimethylcarbamoyl)-6-phenylbenzen-1-olate::CRA-11852

SMILES: CN(C)C(=O)c1cc(-c2cc3cc(C(N)=[NH2+])c(Cl)cc3[nH]2)c([O-])c(c1)-c1ccccc1

InChI Key: InChIKey=FIKPJJWWHHKTHI-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 14352   

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
Urokinase-type plasminogen activator (Homo sapiens (Human))	BDBM14352 (2-{5-[amino(iminiumyl)methyl]-6-chloro-1H-indol-2-...) Show SMILES CN(C)C(=O)c1cc(-c2cc3cc(C(N)=[NH2+])c(Cl)cc3[nH]2)c([O-])c(c1)-c1ccccc1 Show InChI InChI=1S/C24H21ClN4O2/c1-29(2)24(31)15-9-16(13-6-4-3-5-7-13)22(30)18(10-15)21-11-14-8-17(23(26)27)19(25)12-20(14)28-21/h3-12,28,30H,1-2H3,(H3,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Celera					Assay Description Each enzyme was assayed with a set of different concentrations of each inhibitor. After addition of the appropriate substrate, the rate of hydrolysis...				J Mol Biol 329: 93-120 (2003) Article DOI: 10.1016/s0022-2836(03)00399-1 BindingDB Entry DOI: 10.7270/Q2R78CGQ
					More data for this Ligand-Target Pair
Trypsin-1 (Homo sapiens (Human))	BDBM14352 (2-{5-[amino(iminiumyl)methyl]-6-chloro-1H-indol-2-...) Show SMILES CN(C)C(=O)c1cc(-c2cc3cc(C(N)=[NH2+])c(Cl)cc3[nH]2)c([O-])c(c1)-c1ccccc1 Show InChI InChI=1S/C24H21ClN4O2/c1-29(2)24(31)15-9-16(13-6-4-3-5-7-13)22(30)18(10-15)21-11-14-8-17(23(26)27)19(25)12-20(14)28-21/h3-12,28,30H,1-2H3,(H3,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	190	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Celera					Assay Description Each enzyme was assayed with a set of different concentrations of each inhibitor. After addition of the appropriate substrate, the rate of hydrolysis...				J Mol Biol 329: 93-120 (2003) Article DOI: 10.1016/s0022-2836(03)00399-1 BindingDB Entry DOI: 10.7270/Q2R78CGQ
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM14352 (2-{5-[amino(iminiumyl)methyl]-6-chloro-1H-indol-2-...) Show SMILES CN(C)C(=O)c1cc(-c2cc3cc(C(N)=[NH2+])c(Cl)cc3[nH]2)c([O-])c(c1)-c1ccccc1 Show InChI InChI=1S/C24H21ClN4O2/c1-29(2)24(31)15-9-16(13-6-4-3-5-7-13)22(30)18(10-15)21-11-14-8-17(23(26)27)19(25)12-20(14)28-21/h3-12,28,30H,1-2H3,(H3,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	8.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Celera					Assay Description Each enzyme was assayed with a set of different concentrations of each inhibitor. After addition of the appropriate substrate, the rate of hydrolysis...				J Mol Biol 329: 93-120 (2003) Article DOI: 10.1016/s0022-2836(03)00399-1 BindingDB Entry DOI: 10.7270/Q2R78CGQ
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM14352 (2-{5-[amino(iminiumyl)methyl]-6-chloro-1H-indol-2-...) Show SMILES CN(C)C(=O)c1cc(-c2cc3cc(C(N)=[NH2+])c(Cl)cc3[nH]2)c([O-])c(c1)-c1ccccc1 Show InChI InChI=1S/C24H21ClN4O2/c1-29(2)24(31)15-9-16(13-6-4-3-5-7-13)22(30)18(10-15)21-11-14-8-17(23(26)27)19(25)12-20(14)28-21/h3-12,28,30H,1-2H3,(H3,26,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	3.30E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Celera					Assay Description Each enzyme was assayed with a set of different concentrations of each inhibitor. After addition of the appropriate substrate, the rate of hydrolysis...				J Mol Biol 329: 93-120 (2003) Article DOI: 10.1016/s0022-2836(03)00399-1 BindingDB Entry DOI: 10.7270/Q2R78CGQ
					More data for this Ligand-Target Pair