BDBM50204402 (3S,4S)-1-(but-2-ynyl)-N-hydroxy-4-(4-((2-methylquinolin-4-yl)methyl)benzamido)pyrrolidine-3-carboxamide::CHEMBL233842

SMILES: CC#CCN1C[C@@H](NC(=O)c2ccc(Cc3cc(C)nc4ccccc34)cc2)[C@H](C1)C(=O)NO

InChI Key: InChIKey=LBHPINDOHXBHHL-UKILVPOCSA-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 = 50204402   

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))	BDBM50204402 ((3S,4S)-1-(but-2-ynyl)-N-hydroxy-4-(4-((2-methylqu...) Show SMILES CC#CCN1C[C@@H](NC(=O)c2ccc(Cc3cc(C)nc4ccccc34)cc2)[C@H](C1)C(=O)NO Show InChI InChI=1S/C27H28N4O3/c1-3-4-13-31-16-23(27(33)30-34)25(17-31)29-26(32)20-11-9-19(10-12-20)15-21-14-18(2)28-24-8-6-5-7-22(21)24/h5-12,14,23,25,34H,13,15-17H2,1-2H3,(H,29,32)(H,30,33)/t23-,25+/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
Collagenase 3 (Homo sapiens (Human))	BDBM50204402 ((3S,4S)-1-(but-2-ynyl)-N-hydroxy-4-(4-((2-methylqu...) Show SMILES CC#CCN1C[C@@H](NC(=O)c2ccc(Cc3cc(C)nc4ccccc34)cc2)[C@H](C1)C(=O)NO Show InChI InChI=1S/C27H28N4O3/c1-3-4-13-31-16-23(27(33)30-34)25(17-31)29-26(32)20-11-9-19(10-12-20)15-21-14-18(2)28-24-8-6-5-7-22(21)24/h5-12,14,23,25,34H,13,15-17H2,1-2H3,(H,29,32)(H,30,33)/t23-,25+/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
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50204402 ((3S,4S)-1-(but-2-ynyl)-N-hydroxy-4-(4-((2-methylqu...) Show SMILES CC#CCN1C[C@@H](NC(=O)c2ccc(Cc3cc(C)nc4ccccc34)cc2)[C@H](C1)C(=O)NO Show InChI InChI=1S/C27H28N4O3/c1-3-4-13-31-16-23(27(33)30-34)25(17-31)29-26(32)20-11-9-19(10-12-20)15-21-14-18(2)28-24-8-6-5-7-22(21)24/h5-12,14,23,25,34H,13,15-17H2,1-2H3,(H,29,32)(H,30,33)/t23-,25+/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
ADAM17 (Sus scrofa (pig))	BDBM50204402 ((3S,4S)-1-(but-2-ynyl)-N-hydroxy-4-(4-((2-methylqu...) Show SMILES CC#CCN1C[C@@H](NC(=O)c2ccc(Cc3cc(C)nc4ccccc34)cc2)[C@H](C1)C(=O)NO Show InChI InChI=1S/C27H28N4O3/c1-3-4-13-31-16-23(27(33)30-34)25(17-31)29-26(32)20-11-9-19(10-12-20)15-21-14-18(2)28-24-8-6-5-7-22(21)24/h5-12,14,23,25,34H,13,15-17H2,1-2H3,(H,29,32)(H,30,33)/t23-,25+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	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
Interstitial collagenase (Homo sapiens (Human))	BDBM50204402 ((3S,4S)-1-(but-2-ynyl)-N-hydroxy-4-(4-((2-methylqu...) Show SMILES CC#CCN1C[C@@H](NC(=O)c2ccc(Cc3cc(C)nc4ccccc34)cc2)[C@H](C1)C(=O)NO Show InChI InChI=1S/C27H28N4O3/c1-3-4-13-31-16-23(27(33)30-34)25(17-31)29-26(32)20-11-9-19(10-12-20)15-21-14-18(2)28-24-8-6-5-7-22(21)24/h5-12,14,23,25,34H,13,15-17H2,1-2H3,(H,29,32)(H,30,33)/t23-,25+/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))	BDBM50204402 ((3S,4S)-1-(but-2-ynyl)-N-hydroxy-4-(4-((2-methylqu...) Show SMILES CC#CCN1C[C@@H](NC(=O)c2ccc(Cc3cc(C)nc4ccccc34)cc2)[C@H](C1)C(=O)NO Show InChI InChI=1S/C27H28N4O3/c1-3-4-13-31-16-23(27(33)30-34)25(17-31)29-26(32)20-11-9-19(10-12-20)15-21-14-18(2)28-24-8-6-5-7-22(21)24/h5-12,14,23,25,34H,13,15-17H2,1-2H3,(H,29,32)(H,30,33)/t23-,25+/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	110	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