BDBM50164265 (S)-1-(9-Hydroxy-1-oxy-9H-indeno[2,1-b]pyridine-9-carbonyl)-pyrrolidine-2-carboxylic acid 2-aminomethyl-5-chloro-benzylamide::CHEMBL192721

SMILES: NCc1ccc(Cl)cc1CNC(=O)[C@@H]1CCCN1C(=O)C1(O)c2ccccc2-c2ccc[n+]([O-])c12

InChI Key: InChIKey=NEQCFLXQXXENDD-CHQVSRGASA-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 = 50164265   

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
Prothrombin (Homo sapiens (Human))	BDBM50164265 ((S)-1-(9-Hydroxy-1-oxy-9H-indeno[2,1-b]pyridine-9-...) Show SMILES NCc1ccc(Cl)cc1CNC(=O)[C@@H]1CCCN1C(=O)C1(O)c2ccccc2-c2ccc[n+]([O-])c12 Show InChI InChI=1S/C26H25ClN4O4/c27-18-10-9-16(14-28)17(13-18)15-29-24(32)22-8-4-11-30(22)25(33)26(34)21-7-2-1-5-19(21)20-6-3-12-31(35)23(20)26/h1-3,5-7,9-10,12-13,22,34H,4,8,11,14-15,28H2,(H,29,32)/t22-,26?/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	140	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of coagulation factor II (thrombin) of human				J Med Chem 48: 2282-93 (2005) Article DOI: 10.1021/jm049423s BindingDB Entry DOI: 10.7270/Q2BR8RPD
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50164265 ((S)-1-(9-Hydroxy-1-oxy-9H-indeno[2,1-b]pyridine-9-...) Show SMILES NCc1ccc(Cl)cc1CNC(=O)[C@@H]1CCCN1C(=O)C1(O)c2ccccc2-c2ccc[n+]([O-])c12 Show InChI InChI=1S/C26H25ClN4O4/c27-18-10-9-16(14-28)17(13-18)15-29-24(32)22-8-4-11-30(22)25(33)26(34)21-7-2-1-5-19(21)20-6-3-12-31(35)23(20)26/h1-3,5-7,9-10,12-13,22,34H,4,8,11,14-15,28H2,(H,29,32)/t22-,26?/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	140	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of coagulation factor II (thrombin) of human				J Med Chem 48: 2282-93 (2005) Article DOI: 10.1021/jm049423s BindingDB Entry DOI: 10.7270/Q2BR8RPD
					More data for this Ligand-Target Pair