BDBM50062353 (R)-N*4*-Hydroxy-N*1*-{(S)-2-(1H-indol-3-yl)-1-[(pyridin-3-ylmethyl)-carbamoyl]-ethyl}-2-isobutyl-succinamide::CHEMBL70417

SMILES: CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1cccnc1

InChI Key: InChIKey=BOHIPQBVCFMFFK-GCJKJVERSA-N

Data: 3 KI

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 3 hits for monomerid = 50062353   

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
Neutrophil collagenase (Homo sapiens (Human))	BDBM50062353 ((R)-N*4*-Hydroxy-N*1*-{(S)-2-(1H-indol-3-yl)-1-[(p...) Show SMILES CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1cccnc1 Show InChI InChI=1S/C25H31N5O4/c1-16(2)10-18(12-23(31)30-34)24(32)29-22(25(33)28-14-17-6-5-9-26-13-17)11-19-15-27-21-8-4-3-7-20(19)21/h3-9,13,15-16,18,22,27,34H,10-12,14H2,1-2H3,(H,28,33)(H,29,32)(H,30,31)/t18-,22+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.110	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Glycomed, Inc. Curated by ChEMBL					Assay Description The compound was tested for its binding affinity towards neutrophil collagenase (Matrix metalloproteinase-8)				J Med Chem 41: 199-223 (1998) Article DOI: 10.1021/jm970494j BindingDB Entry DOI: 10.7270/Q2Q52NRB
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50062353 ((R)-N*4*-Hydroxy-N*1*-{(S)-2-(1H-indol-3-yl)-1-[(p...) Show SMILES CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1cccnc1 Show InChI InChI=1S/C25H31N5O4/c1-16(2)10-18(12-23(31)30-34)24(32)29-22(25(33)28-14-17-6-5-9-26-13-17)11-19-15-27-21-8-4-3-7-20(19)21/h3-9,13,15-16,18,22,27,34H,10-12,14H2,1-2H3,(H,28,33)(H,29,32)(H,30,31)/t18-,22+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.520	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Glycomed, Inc. Curated by ChEMBL					Assay Description Binding affinity towards 72 kDa gelatinase (Matrix metalloproteinase-2)				J Med Chem 41: 199-223 (1998) Article DOI: 10.1021/jm970494j BindingDB Entry DOI: 10.7270/Q2Q52NRB
					More data for this Ligand-Target Pair
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM50062353 ((R)-N*4*-Hydroxy-N*1*-{(S)-2-(1H-indol-3-yl)-1-[(p...) Show SMILES CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1cccnc1 Show InChI InChI=1S/C25H31N5O4/c1-16(2)10-18(12-23(31)30-34)24(32)29-22(25(33)28-14-17-6-5-9-26-13-17)11-19-15-27-21-8-4-3-7-20(19)21/h3-9,13,15-16,18,22,27,34H,10-12,14H2,1-2H3,(H,28,33)(H,29,32)(H,30,31)/t18-,22+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.780	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Glycomed, Inc. Curated by ChEMBL					Assay Description The compound was tested for its binding affinity towards 92 kDa gelatinase (Matrix metalloproteinase-9)				J Med Chem 41: 199-223 (1998) Article DOI: 10.1021/jm970494j BindingDB Entry DOI: 10.7270/Q2Q52NRB
					More data for this Ligand-Target Pair