BDBM50064274 CHEMBL48122::N-(1-Methyl-heptyl)-formamide

SMILES: CCCCCCC(C)NC=O

InChI Key: InChIKey=YWFHDUFNGSJLTL-UHFFFAOYSA-N

Data: 5 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 5 hits for monomerid = 50064274   

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
Alcohol dehydrogenase (Homo sapiens (Human))	BDBM50064274 (CHEMBL48122 | N-(1-Methyl-heptyl)-formamide) Show SMILES CCCCCCC(C)NC=O Show InChI InChI=1S/C9H19NO/c1-3-4-5-6-7-9(2)10-8-11/h8-9H,3-7H2,1-2H3,(H,10,11)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	410	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Iowa Curated by ChEMBL					Assay Description Inhibition of human alcohol dehydrogenase gamma2 activity				J Med Chem 41: 1696-701 (1998) Article DOI: 10.1021/jm9707380 BindingDB Entry DOI: 10.7270/Q2VM4BC5
					More data for this Ligand-Target Pair				3D Structure (crystal)
Alcohol dehydrogenase (Homo sapiens (Human))	BDBM50064274 (CHEMBL48122 | N-(1-Methyl-heptyl)-formamide) Show SMILES CCCCCCC(C)NC=O Show InChI InChI=1S/C9H19NO/c1-3-4-5-6-7-9(2)10-8-11/h8-9H,3-7H2,1-2H3,(H,10,11)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Iowa Curated by ChEMBL					Assay Description Inhibition of human alcohol dehydrogenase beta 1 activity				J Med Chem 41: 1696-701 (1998) Article DOI: 10.1021/jm9707380 BindingDB Entry DOI: 10.7270/Q2VM4BC5
					More data for this Ligand-Target Pair				3D Structure (crystal)
Alcohol dehydrogenase (Homo sapiens (Human))	BDBM50064274 (CHEMBL48122 | N-(1-Methyl-heptyl)-formamide) Show SMILES CCCCCCC(C)NC=O Show InChI InChI=1S/C9H19NO/c1-3-4-5-6-7-9(2)10-8-11/h8-9H,3-7H2,1-2H3,(H,10,11)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	7.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Iowa Curated by ChEMBL					Assay Description Inhibition of human alcohol dehydrogenase alpha activity				J Med Chem 41: 1696-701 (1998) Article DOI: 10.1021/jm9707380 BindingDB Entry DOI: 10.7270/Q2VM4BC5
					More data for this Ligand-Target Pair				3D Structure (crystal)
Alcohol dehydrogenase (Homo sapiens (Human))	BDBM50064274 (CHEMBL48122 | N-(1-Methyl-heptyl)-formamide) Show SMILES CCCCCCC(C)NC=O Show InChI InChI=1S/C9H19NO/c1-3-4-5-6-7-9(2)10-8-11/h8-9H,3-7H2,1-2H3,(H,10,11)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	4.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Iowa Curated by ChEMBL					Assay Description Inhibition of human alcohol dehydrogenase pi activity				J Med Chem 41: 1696-701 (1998) Article DOI: 10.1021/jm9707380 BindingDB Entry DOI: 10.7270/Q2VM4BC5
					More data for this Ligand-Target Pair
Alcohol dehydrogenase (Homo sapiens (Human))	BDBM50064274 (CHEMBL48122 | N-(1-Methyl-heptyl)-formamide) Show SMILES CCCCCCC(C)NC=O Show InChI InChI=1S/C9H19NO/c1-3-4-5-6-7-9(2)10-8-11/h8-9H,3-7H2,1-2H3,(H,10,11)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Iowa Curated by ChEMBL					Assay Description Inhibition of human alcohol dehydrogenase sigma activity				J Med Chem 41: 1696-701 (1998) Article DOI: 10.1021/jm9707380 BindingDB Entry DOI: 10.7270/Q2VM4BC5
					More data for this Ligand-Target Pair