BDBM50094702 1H-indole::CHEMBL15844::Indol::Indole, 7::indole

SMILES: c1cc2ccccc2[nH]1

InChI Key: InChIKey=SIKJAQJRHWYJAI-UHFFFAOYSA-N

Data: 5 KI  6 Kd  2 ITC

PDB links: 15 PDB IDs match 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 11 hits for monomerid = 50094702   

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
Carbonic anhydrase 4 (Homo sapiens (Human))	BDBM50094702 (1H-indole | CHEMBL15844 | Indol | Indole, 7 | indo...) Show SMILES c1cc2ccccc2[nH]1 Show InChI InChI=1S/C8H7N/c1-2-4-8-7(3-1)5-6-9-8/h1-6,9H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	2.33E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ondokuz Mayis University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 4 using 4-nitrophenylacetate as substrate after 3 mins using spectrophotometry by Lineweaver-Burk plot analysi...				Eur J Med Chem 49: 68-73 (2012) Article DOI: 10.1016/j.ejmech.2011.12.022 BindingDB Entry DOI: 10.7270/Q2N0170S
					More data for this Ligand-Target Pair
Carbonic anhydrase 6 (CA-VI) (Homo sapiens (Human))	BDBM50094702 (1H-indole | CHEMBL15844 | Indol | Indole, 7 | indo...) Show SMILES c1cc2ccccc2[nH]1 Show InChI InChI=1S/C8H7N/c1-2-4-8-7(3-1)5-6-9-8/h1-6,9H	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	3.63E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ondokuz Mayis University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 6 using 4-nitrophenylacetate as substrate after 3 mins using spectrophotometry by Lineweaver-Burk plot analysi...				Eur J Med Chem 49: 68-73 (2012) Article DOI: 10.1016/j.ejmech.2011.12.022 BindingDB Entry DOI: 10.7270/Q2N0170S
					More data for this Ligand-Target Pair
Carbonic anhydrase 3 (CA III) (Bos taurus (Cattle))	BDBM50094702 (1H-indole | CHEMBL15844 | Indol | Indole, 7 | indo...) Show SMILES c1cc2ccccc2[nH]1 Show InChI InChI=1S/C8H7N/c1-2-4-8-7(3-1)5-6-9-8/h1-6,9H	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	1.76E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ondokuz Mayis University Curated by ChEMBL					Assay Description Inhibition of bovine carbonic anhydrase 3 using 4-nitrophenylacetate as substrate after 3 mins using spectrophotometry by Lineweaver-Burk plot analys...				Eur J Med Chem 49: 68-73 (2012) Article DOI: 10.1016/j.ejmech.2011.12.022 BindingDB Entry DOI: 10.7270/Q2N0170S
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50094702 (1H-indole | CHEMBL15844 | Indol | Indole, 7 | indo...) Show SMILES c1cc2ccccc2[nH]1 Show InChI InChI=1S/C8H7N/c1-2-4-8-7(3-1)5-6-9-8/h1-6,9H	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	2.74E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ondokuz Mayis University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 1 using 4-nitrophenylacetate as substrate after 3 mins using spectrophotometry by Lineweaver-Burk plot analysi...				Eur J Med Chem 49: 68-73 (2012) Article DOI: 10.1016/j.ejmech.2011.12.022 BindingDB Entry DOI: 10.7270/Q2N0170S
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50094702 (1H-indole | CHEMBL15844 | Indol | Indole, 7 | indo...) Show SMILES c1cc2ccccc2[nH]1 Show InChI InChI=1S/C8H7N/c1-2-4-8-7(3-1)5-6-9-8/h1-6,9H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	3.25E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ondokuz Mayis University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2 using 4-nitrophenylacetate as substrate after 3 mins using spectrophotometry by Lineweaver-Burk plot analysi...				Eur J Med Chem 49: 68-73 (2012) Article DOI: 10.1016/j.ejmech.2011.12.022 BindingDB Entry DOI: 10.7270/Q2N0170S
					More data for this Ligand-Target Pair
Adenosine kinase (Homo sapiens (Human))	BDBM50094702 (1H-indole | CHEMBL15844 | Indol | Indole, 7 | indo...) Show SMILES c1cc2ccccc2[nH]1 Show InChI InChI=1S/C8H7N/c1-2-4-8-7(3-1)5-6-9-8/h1-6,9H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	n/a	3.00E+6	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of human adenosine kinase				J Med Chem 43: 4781-6 (2000) BindingDB Entry DOI: 10.7270/Q289154F
					More data for this Ligand-Target Pair
Trp Aprorepressor (Escherichia coli (strain K12))	BDBM50094702 (1H-indole | CHEMBL15844 | Indol | Indole, 7 | indo...) Show SMILES c1cc2ccccc2[nH]1 Show InChI InChI=1S/C8H7N/c1-2-4-8-7(3-1)5-6-9-8/h1-6,9H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	n/a	2.51E+4	n/a	n/a	n/a	n/a	n/a
University of Chicago					Assay Description Binding assay of L-trptophan and analogues to trp aporepressor				J Biol Chem 262: 4922-7 (1987) BindingDB Entry DOI: 10.7270/Q25T3J3J
					More data for this Ligand-Target Pair
Lysozyme(L99A) (Enterobacteria phage T4)	BDBM50094702 (1H-indole | CHEMBL15844 | Indol | Indole, 7 | indo...) Show SMILES c1cc2ccccc2[nH]1 Show InChI InChI=1S/C8H7N/c1-2-4-8-7(3-1)5-6-9-8/h1-6,9H	PDB MMDB NCI pathway Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	2.90E+5	n/a	n/a	n/a	n/a	n/a
University of California San Francisco Curated by ChEMBL					Assay Description Dissociation constant against T4 lysozyme mutant L99A				J Med Chem 48: 3714-28 (2005) Article DOI: 10.1021/jm0491187 BindingDB Entry DOI: 10.7270/Q2VT1SW6
					More data for this Ligand-Target Pair
Adenosine kinase (Homo sapiens (Human))	BDBM50094702 (1H-indole | CHEMBL15844 | Indol | Indole, 7 | indo...) Show SMILES c1cc2ccccc2[nH]1 Show InChI InChI=1S/C8H7N/c1-2-4-8-7(3-1)5-6-9-8/h1-6,9H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	3.00E+6	n/a	n/a	n/a	n/a	n/a
Sunesis Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Dissociation constant against adenosine kinase				J Med Chem 47: 3463-82 (2004) Article DOI: 10.1021/jm040031v BindingDB Entry DOI: 10.7270/Q2NC61ZJ
					More data for this Ligand-Target Pair
Integrin beta-2/Leukocyte adhesion glycoprotein LFA-1 alpha (Homo sapiens (Human))	BDBM50094702 (1H-indole | CHEMBL15844 | Indol | Indole, 7 | indo...) Show SMILES c1cc2ccccc2[nH]1 Show InChI InChI=1S/C8H7N/c1-2-4-8-7(3-1)5-6-9-8/h1-6,9H	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	3.00E+5	n/a	n/a	n/a	n/a	n/a
Sunesis Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Dissociation constant for Leukocyte function associated antigen 1 (LFA-1)				J Med Chem 47: 3463-82 (2004) Article DOI: 10.1021/jm040031v BindingDB Entry DOI: 10.7270/Q2NC61ZJ
					More data for this Ligand-Target Pair
Integrin beta-2/Leukocyte adhesion glycoprotein LFA-1 alpha (Homo sapiens (Human))	BDBM50094702 (1H-indole | CHEMBL15844 | Indol | Indole, 7 | indo...) Show SMILES c1cc2ccccc2[nH]1 Show InChI InChI=1S/C8H7N/c1-2-4-8-7(3-1)5-6-9-8/h1-6,9H	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	n/a	3.00E+5	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of JY-8 cell adhesion via leukocyte function associated antigen 1 (LFA-1) to ICAM-1				J Med Chem 44: 1202-10 (2001) BindingDB Entry DOI: 10.7270/Q22Z14TP
					More data for this Ligand-Target Pair

Activity Spreadsheet -- ITC Data from BindingDB

Found 2 hits for monomerid = 50094702

Cell (A)	Syringe (B)	Cell Links	Syringe Links	Cell + Syr Links	ΔG° kcal/mole	-TΔS° kcal/mole	ΔH° kcal/mole	log K	pH	Temp °C
BDBM36284	BDBM50094702	PC cid PC sid	CHEBI KEGG MMDB PC cid PC sid PDB		-7.19	2.60	-9.79	5.26	7	25
University of Cambridge					Chemistry 16: 13716-22 (2010)
BDBM36284	BDBM50094702	PC cid PC sid	CHEBI KEGG MMDB PC cid PC sid PDB		-7.94	n/a	n/a	5.83	7	25
University of Cambridge					J Phys Chem B 114: 8606-15 (2010)