BDBM12400 1-[(4-Chloro-phenylcarbamoyl)-methyl]-1H-indole-2-carboxylic acid (1-isopropylpiperidin-4-yl)-amide::1-{[(4-chlorophenyl)carbamoyl]methyl}-N-[1-(propan-2-yl)piperidin-4-yl]-1H-indole-2-carboxamide::2-Carboxyindole Scaffold 45::2-carboxyindole 27

SMILES: CC(C)N1CCC(CC1)NC(=O)c1cc2ccccc2n1CC(=O)Nc1ccc(Cl)cc1

InChI Key: InChIKey=BDLMBQRBNPDCSS-UHFFFAOYSA-N

Data: 3 KI

PDB links: 1 PDB ID matches this monomer.

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 = 12400   

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))	BDBM12400 (1-[(4-Chloro-phenylcarbamoyl)-methyl]-1H-indole-2-...) Show SMILES CC(C)N1CCC(CC1)NC(=O)c1cc2ccccc2n1CC(=O)Nc1ccc(Cl)cc1 Show InChI InChI=1S/C25H29ClN4O2/c1-17(2)29-13-11-21(12-14-29)28-25(32)23-15-18-5-3-4-6-22(18)30(23)16-24(31)27-20-9-7-19(26)8-10-20/h3-10,15,17,21H,11-14,16H2,1-2H3,(H,27,31)(H,28,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Aventis Pharma					Assay Description The inhibitory effect of test compound for human fXa was determined by using the chromogenic substrates S-2765. The hydrolysis rates of chromogenic s...				J Med Chem 48: 4511-25 (2005) Article DOI: 10.1021/jm0490540 BindingDB Entry DOI: 10.7270/Q21834RB
					More data for this Ligand-Target Pair				3D Structure (crystal)
Coagulation factor X (Homo sapiens (Human))	BDBM12400 (1-[(4-Chloro-phenylcarbamoyl)-methyl]-1H-indole-2-...) Show SMILES CC(C)N1CCC(CC1)NC(=O)c1cc2ccccc2n1CC(=O)Nc1ccc(Cl)cc1 Show InChI InChI=1S/C25H29ClN4O2/c1-17(2)29-13-11-21(12-14-29)28-25(32)23-15-18-5-3-4-6-22(18)30(23)16-24(31)27-20-9-7-19(26)8-10-20/h3-10,15,17,21H,11-14,16H2,1-2H3,(H,27,31)(H,28,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	3	-11.6	n/a	n/a	n/a	n/a	n/a	7.8	25
Aventis Pharma Deutschland GmbH					Assay Description The inhibitory effect of test compound for human fXa was determined by using the chromogenic substrates S-2765. The hydrolysis rates of chromogenic s...				Bioorg Med Chem Lett 14: 4191-5 (2004) Article DOI: 10.1016/j.bmcl.2004.06.020 BindingDB Entry DOI: 10.7270/Q22805WQ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Prothrombin (Homo sapiens (Human))	BDBM12400 (1-[(4-Chloro-phenylcarbamoyl)-methyl]-1H-indole-2-...) Show SMILES CC(C)N1CCC(CC1)NC(=O)c1cc2ccccc2n1CC(=O)Nc1ccc(Cl)cc1 Show InChI InChI=1S/C25H29ClN4O2/c1-17(2)29-13-11-21(12-14-29)28-25(32)23-15-18-5-3-4-6-22(18)30(23)16-24(31)27-20-9-7-19(26)8-10-20/h3-10,15,17,21H,11-14,16H2,1-2H3,(H,27,31)(H,28,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	>1.00E+4	>-6.82	n/a	n/a	n/a	n/a	n/a	7.8	25
Aventis Pharma Deutschland GmbH					Assay Description The inhibitory effect of test compound for human thrombin was determined by using the chromogenic substrates S-2366. The hydrolysis rates of chromoge...				Bioorg Med Chem Lett 14: 4191-5 (2004) Article DOI: 10.1016/j.bmcl.2004.06.020 BindingDB Entry DOI: 10.7270/Q22805WQ
					More data for this Ligand-Target Pair