BDBM93015 Indole-3-carboxylate

SMILES: OC(=O)c1c[nH]c2ccccc12

InChI Key: InChIKey=KMAKOBLIOCQGJP-UHFFFAOYSA-N

Data: 4 KI

PDB links: 4 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 4 hits for monomerid = 93015   

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
Alpha-chymotrypsin (Bos taurus (bovine))	BDBM93015 (Indole-3-carboxylate) Show SMILES OC(=O)c1c[nH]c2ccccc12 Show InChI InChI=1S/C9H7NO2/c11-9(12)7-5-10-8-4-2-1-3-6(7)8/h1-5,10H,(H,11,12)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE MMDB PC cid PC sid PDB UniChem	Article PubMed	4.00E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
California Institute of Technology					Assay Description Kinetic assay using chymotrypsin.				Biochemistry 4: 99-104 (1965) Article DOI: 10.1021/bi00877a017 BindingDB Entry DOI: 10.7270/Q23N2214
					More data for this Ligand-Target Pair
Alpha-chymotrypsin (Bos taurus (bovine))	BDBM93015 (Indole-3-carboxylate) Show SMILES OC(=O)c1c[nH]c2ccccc12 Show InChI InChI=1S/C9H7NO2/c11-9(12)7-5-10-8-4-2-1-3-6(7)8/h1-5,10H,(H,11,12)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE MMDB PC cid PC sid PDB UniChem	Article PubMed	4.50E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
California Institute of Technology					Assay Description Kinetic assay using chymotrypsin.				Biochemistry 4: 99-104 (1965) Article DOI: 10.1021/bi00877a017 BindingDB Entry DOI: 10.7270/Q23N2214
					More data for this Ligand-Target Pair
Alpha-chymotrypsin (Bos taurus (bovine))	BDBM93015 (Indole-3-carboxylate) Show SMILES OC(=O)c1c[nH]c2ccccc12 Show InChI InChI=1S/C9H7NO2/c11-9(12)7-5-10-8-4-2-1-3-6(7)8/h1-5,10H,(H,11,12)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE MMDB PC cid PC sid PDB UniChem	Article PubMed	4.90E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
California Institute of Technology					Assay Description Kinetic assay using chymotrypsin.				Biochemistry 4: 99-104 (1965) Article DOI: 10.1021/bi00877a017 BindingDB Entry DOI: 10.7270/Q23N2214
					More data for this Ligand-Target Pair
Alpha-chymotrypsin (Bos taurus (bovine))	BDBM93015 (Indole-3-carboxylate) Show SMILES OC(=O)c1c[nH]c2ccccc12 Show InChI InChI=1S/C9H7NO2/c11-9(12)7-5-10-8-4-2-1-3-6(7)8/h1-5,10H,(H,11,12)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE MMDB PC cid PC sid PDB UniChem	Article PubMed	7.60E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
California Institute of Technology					Assay Description Kinetic assay using chymotrypsin.				Biochemistry 4: 99-104 (1965) Article DOI: 10.1021/bi00877a017 BindingDB Entry DOI: 10.7270/Q23N2214
					More data for this Ligand-Target Pair