BDBM50111111 2N-(5-carbohydrazonamide-3-thienylmethyl)-1-[2-methylsulfonamido-3,3-diphenyl-(2R)-propanoyl]-(2S)-tetrahydro-1H-2-pyrrolecarboxamide::CHEMBL7292

SMILES: CS(=O)(=O)N[C@H](C(c1ccccc1)c1ccccc1)C(=O)N1CCC[C@H]1C(=O)NCc1csc(c1)C(N)=NN

InChI Key: InChIKey=JKSINGQSEHHBRE-XUZZJYLKSA-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 = 50111111   

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))	BDBM50111111 (2N-(5-carbohydrazonamide-3-thienylmethyl)-1-[2-met...) Show SMILES CS(=O)(=O)N[C@H](C(c1ccccc1)c1ccccc1)C(=O)N1CCC[C@H]1C(=O)NCc1csc(c1)C(N)=NN |w:37.41| Show InChI InChI=1S/C27H32N6O4S2/c1-39(36,37)32-24(23(19-9-4-2-5-10-19)20-11-6-3-7-12-20)27(35)33-14-8-13-21(33)26(34)30-16-18-15-22(38-17-18)25(28)31-29/h2-7,9-12,15,17,21,23-24,32H,8,13-14,16,29H2,1H3,(H2,28,31)(H,30,34)/t21-,24+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	1.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Life Science R&D, LGCI Curated by ChEMBL					Assay Description Binding affinity against human thrombin				Bioorg Med Chem Lett 12: 1017-22 (2002) BindingDB Entry DOI: 10.7270/Q2CV4J9T
					More data for this Ligand-Target Pair
Trypsin (Bos taurus (bovine))	BDBM50111111 (2N-(5-carbohydrazonamide-3-thienylmethyl)-1-[2-met...) Show SMILES CS(=O)(=O)N[C@H](C(c1ccccc1)c1ccccc1)C(=O)N1CCC[C@H]1C(=O)NCc1csc(c1)C(N)=NN |w:37.41| Show InChI InChI=1S/C27H32N6O4S2/c1-39(36,37)32-24(23(19-9-4-2-5-10-19)20-11-6-3-7-12-20)27(35)33-14-8-13-21(33)26(34)30-16-18-15-22(38-17-18)25(28)31-29/h2-7,9-12,15,17,21,23-24,32H,8,13-14,16,29H2,1H3,(H2,28,31)(H,30,34)/t21-,24+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	540	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Life Science R&D, LGCI Curated by ChEMBL					Assay Description Binding affinity against bovine trypsin				Bioorg Med Chem Lett 12: 1017-22 (2002) BindingDB Entry DOI: 10.7270/Q2CV4J9T
					More data for this Ligand-Target Pair