BDBM100172 1-[(2S,3R,12bS)-3-[(1S)-1-hydroxyethyl]-4-keto-2,3,6,7,12,12b-hexahydro-1H-pyrido[2,1-a]-carbolin-2-yl]-3-cyclohexyl-1-methyl-urea::1-[(2S,3R,12bS)-3-[(1S)-1-hydroxyethyl]-4-oxo-2,3,6,7,12,12b-hexahydro-1H-indolo[2,3-a]quinolizin-2-yl]-3-cyclohexyl-1-methylurea::1-[(2S,3R,12bS)-3-[(1S)-1-oxidanylethyl]-4-oxidanylidene-2,3,6,7,12,12b-hexahydro-1H-indolo[2,3-a]quinolizin-2-yl]-3-cyclohexyl-1-methyl-urea::3-cyclohexyl-1-((2S,3R,12bS)-3-((S)-1-hydroxyethyl)-4-oxo-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-2-yl)-1-methylurea::MLS002920949::SMR001798414::cid_46902359

SMILES: C[C@H](O)[C@H]1[C@H](C[C@@H]2N(CCc3c2[nH]c2ccccc32)C1=O)N(C)C(=O)NC1CCCCC1

InChI Key: InChIKey=SGGLKOXFSPSGKS-JNHSIYEJSA-N

Data: 1 EC50

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 = 100172   

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
Kallikrein 7 (Homo sapiens (Human))	BDBM100172 (1-[(2S,3R,12bS)-3-[(1S)-1-hydroxyethyl]-4-keto-2,3...) Show SMILES C[C@H](O)[C@H]1[C@H](C[C@@H]2N(CCc3c2[nH]c2ccccc32)C1=O)N(C)C(=O)NC1CCCCC1 Show InChI InChI=1S/C25H34N4O3/c1-15(30)22-20(28(2)25(32)26-16-8-4-3-5-9-16)14-21-23-18(12-13-29(21)24(22)31)17-10-6-7-11-19(17)27-23/h6-7,10-11,15-16,20-22,27,30H,3-5,8-9,12-14H2,1-2H3,(H,26,32)/t15-,20-,21-,22-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	8.40E+3	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay									PubChem Bioassay (2013) BindingDB Entry DOI: 10.7270/Q29G5KF0
					More data for this Ligand-Target Pair