BDBM35772 cis-1,2-diaminocyclohexane derivative, 45c

SMILES: CN(C)C(=O)[C@H]1CC[C@H](NC(=O)c2cc3ccc(Cl)cc3cn2)[C@@H](C1)NC(=O)c1nc2CN(C)Cc2s1

InChI Key: InChIKey=GZCKMZURFJCTJE-ZYSHUDEJSA-N

Data: 1 IC50

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 1 hit for monomerid = 35772   

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))	BDBM35772 (cis-1,2-diaminocyclohexane derivative, 45c) Show SMILES CN(C)C(=O)[C@H]1CC[C@H](NC(=O)c2cc3ccc(Cl)cc3cn2)[C@@H](C1)NC(=O)c1nc2CN(C)Cc2s1 |r| Show InChI InChI=1S/C26H29ClN6O3S/c1-32(2)26(36)15-5-7-18(29-23(34)20-9-14-4-6-17(27)8-16(14)11-28-20)19(10-15)30-24(35)25-31-21-12-33(3)13-22(21)37-25/h4,6,8-9,11,15,18-19H,5,7,10,12-13H2,1-3H3,(H,29,34)(H,30,35)/t15-,18-,19+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	9.5	n/a	n/a	n/a	n/a	7.4	23
Daiichi Sankyo Co, Ltd					Assay Description The in vitro anti-fXa activity was measured by using a chromogenic substrate S-2222 and human fXa. Aqueous DMSO or test compounds in aqueous DMSO and...				Bioorg Med Chem 17: 8221-33 (2009) Article DOI: 10.1016/j.bmc.2009.10.024 BindingDB Entry DOI: 10.7270/Q2CC0Z1V
					More data for this Ligand-Target Pair				3D Structure (crystal)