BDBM50204409 CHEMBL401454::N-((1R,2S)-2-(hydroxycarbamoyl)cyclopentyl)-4-((2-methylquinolin-4-yl)methyl)benzamide

SMILES: Cc1cc(Cc2ccc(cc2)C(=O)N[C@@H]2CCC[C@@H]2C(=O)NO)c2ccccc2n1

InChI Key: InChIKey=CKGRNUKOQHVJOB-RBBKRZOGSA-N

Data: 6 IC50

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 6 hits for monomerid = 50204409   

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
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM50204409 (CHEMBL401454 | N-((1R,2S)-2-(hydroxycarbamoyl)cycl...) Show SMILES Cc1cc(Cc2ccc(cc2)C(=O)N[C@@H]2CCC[C@@H]2C(=O)NO)c2ccccc2n1 Show InChI InChI=1S/C24H25N3O3/c1-15-13-18(19-5-2-3-7-21(19)25-15)14-16-9-11-17(12-10-16)23(28)26-22-8-4-6-20(22)24(29)27-30/h2-3,5,7,9-13,20,22,30H,4,6,8,14H2,1H3,(H,26,28)(H,27,29)/t20-,22+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of MMP9				Bioorg Med Chem Lett 17: 1865-70 (2007) Article DOI: 10.1016/j.bmcl.2007.01.041 BindingDB Entry DOI: 10.7270/Q2KK9BF4
					More data for this Ligand-Target Pair
Interstitial collagenase (Homo sapiens (Human))	BDBM50204409 (CHEMBL401454 | N-((1R,2S)-2-(hydroxycarbamoyl)cycl...) Show SMILES Cc1cc(Cc2ccc(cc2)C(=O)N[C@@H]2CCC[C@@H]2C(=O)NO)c2ccccc2n1 Show InChI InChI=1S/C24H25N3O3/c1-15-13-18(19-5-2-3-7-21(19)25-15)14-16-9-11-17(12-10-16)23(28)26-22-8-4-6-20(22)24(29)27-30/h2-3,5,7,9-13,20,22,30H,4,6,8,14H2,1H3,(H,26,28)(H,27,29)/t20-,22+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of MMP1				Bioorg Med Chem Lett 17: 1865-70 (2007) Article DOI: 10.1016/j.bmcl.2007.01.041 BindingDB Entry DOI: 10.7270/Q2KK9BF4
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human))	BDBM50204409 (CHEMBL401454 | N-((1R,2S)-2-(hydroxycarbamoyl)cycl...) Show SMILES Cc1cc(Cc2ccc(cc2)C(=O)N[C@@H]2CCC[C@@H]2C(=O)NO)c2ccccc2n1 Show InChI InChI=1S/C24H25N3O3/c1-15-13-18(19-5-2-3-7-21(19)25-15)14-16-9-11-17(12-10-16)23(28)26-22-8-4-6-20(22)24(29)27-30/h2-3,5,7,9-13,20,22,30H,4,6,8,14H2,1H3,(H,26,28)(H,27,29)/t20-,22+/m0/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	n/a	n/a	560	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of TACE in human whole blood				Bioorg Med Chem Lett 17: 1865-70 (2007) Article DOI: 10.1016/j.bmcl.2007.01.041 BindingDB Entry DOI: 10.7270/Q2KK9BF4
					More data for this Ligand-Target Pair
ADAM17 (Sus scrofa (pig))	BDBM50204409 (CHEMBL401454 | N-((1R,2S)-2-(hydroxycarbamoyl)cycl...) Show SMILES Cc1cc(Cc2ccc(cc2)C(=O)N[C@@H]2CCC[C@@H]2C(=O)NO)c2ccccc2n1 Show InChI InChI=1S/C24H25N3O3/c1-15-13-18(19-5-2-3-7-21(19)25-15)14-16-9-11-17(12-10-16)23(28)26-22-8-4-6-20(22)24(29)27-30/h2-3,5,7,9-13,20,22,30H,4,6,8,14H2,1H3,(H,26,28)(H,27,29)/t20-,22+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of pig TACE				Bioorg Med Chem Lett 17: 1865-70 (2007) Article DOI: 10.1016/j.bmcl.2007.01.041 BindingDB Entry DOI: 10.7270/Q2KK9BF4
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50204409 (CHEMBL401454 | N-((1R,2S)-2-(hydroxycarbamoyl)cycl...) Show SMILES Cc1cc(Cc2ccc(cc2)C(=O)N[C@@H]2CCC[C@@H]2C(=O)NO)c2ccccc2n1 Show InChI InChI=1S/C24H25N3O3/c1-15-13-18(19-5-2-3-7-21(19)25-15)14-16-9-11-17(12-10-16)23(28)26-22-8-4-6-20(22)24(29)27-30/h2-3,5,7,9-13,20,22,30H,4,6,8,14H2,1H3,(H,26,28)(H,27,29)/t20-,22+/m0/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	n/a	n/a	>2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of MMP2				Bioorg Med Chem Lett 17: 1865-70 (2007) Article DOI: 10.1016/j.bmcl.2007.01.041 BindingDB Entry DOI: 10.7270/Q2KK9BF4
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50204409 (CHEMBL401454 | N-((1R,2S)-2-(hydroxycarbamoyl)cycl...) Show SMILES Cc1cc(Cc2ccc(cc2)C(=O)N[C@@H]2CCC[C@@H]2C(=O)NO)c2ccccc2n1 Show InChI InChI=1S/C24H25N3O3/c1-15-13-18(19-5-2-3-7-21(19)25-15)14-16-9-11-17(12-10-16)23(28)26-22-8-4-6-20(22)24(29)27-30/h2-3,5,7,9-13,20,22,30H,4,6,8,14H2,1H3,(H,26,28)(H,27,29)/t20-,22+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of MMP13				Bioorg Med Chem Lett 17: 1865-70 (2007) Article DOI: 10.1016/j.bmcl.2007.01.041 BindingDB Entry DOI: 10.7270/Q2KK9BF4
					More data for this Ligand-Target Pair