BDBM50076343 (S)-3-Phenyl-2-[3-(5-thioxo-4,5-dihydro-[1,3,4]thiadiazol-2-yl)-ureido]-propionamide::CHEMBL39553

SMILES: NC(=O)[C@H](Cc1ccccc1)NC(=O)Nc1nnc(S)s1

InChI Key: InChIKey=WFELCPTZICREII-QMMMGPOBSA-N

Data: 4 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 4 hits for monomerid = 50076343   

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
Stromelysin-1 (Homo sapiens (Human))	BDBM50076343 ((S)-3-Phenyl-2-[3-(5-thioxo-4,5-dihydro-[1,3,4]thi...) Show SMILES NC(=O)[C@H](Cc1ccccc1)NC(=O)Nc1nnc(S)s1 Show InChI InChI=1S/C12H13N5O2S2/c13-9(18)8(6-7-4-2-1-3-5-7)14-10(19)15-11-16-17-12(20)21-11/h1-5,8H,6H2,(H2,13,18)(H,17,20)(H2,14,15,16,19)/t8-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	3.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacia and Upjohn Curated by ChEMBL					Assay Description Binding affinity for matrix metalloproteinase-3				J Med Chem 42: 1525-36 (1999) Article DOI: 10.1021/jm9803222 BindingDB Entry DOI: 10.7270/Q2C828G4
					More data for this Ligand-Target Pair
Stromelysin-1 (Homo sapiens (Human))	BDBM50076343 ((S)-3-Phenyl-2-[3-(5-thioxo-4,5-dihydro-[1,3,4]thi...) Show SMILES NC(=O)[C@H](Cc1ccccc1)NC(=O)Nc1nnc(S)s1 Show InChI InChI=1S/C12H13N5O2S2/c13-9(18)8(6-7-4-2-1-3-5-7)14-10(19)15-11-16-17-12(20)21-11/h1-5,8H,6H2,(H2,13,18)(H,17,20)(H2,14,15,16,19)/t8-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	3.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of California at San Francisco Curated by ChEMBL					Assay Description Inhibition of human stromelysin-1 (MMP-3)				J Med Chem 47: 3065-74 (2004) Article DOI: 10.1021/jm030570k BindingDB Entry DOI: 10.7270/Q26M368W
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50076343 ((S)-3-Phenyl-2-[3-(5-thioxo-4,5-dihydro-[1,3,4]thi...) Show SMILES NC(=O)[C@H](Cc1ccccc1)NC(=O)Nc1nnc(S)s1 Show InChI InChI=1S/C12H13N5O2S2/c13-9(18)8(6-7-4-2-1-3-5-7)14-10(19)15-11-16-17-12(20)21-11/h1-5,8H,6H2,(H2,13,18)(H,17,20)(H2,14,15,16,19)/t8-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of California at San Francisco Curated by ChEMBL					Assay Description Inhibition of human Matrix metalloproteinase-2 (gelatinase-A)				J Med Chem 47: 3065-74 (2004) Article DOI: 10.1021/jm030570k BindingDB Entry DOI: 10.7270/Q26M368W
					More data for this Ligand-Target Pair
Interstitial collagenase (Homo sapiens (Human))	BDBM50076343 ((S)-3-Phenyl-2-[3-(5-thioxo-4,5-dihydro-[1,3,4]thi...) Show SMILES NC(=O)[C@H](Cc1ccccc1)NC(=O)Nc1nnc(S)s1 Show InChI InChI=1S/C12H13N5O2S2/c13-9(18)8(6-7-4-2-1-3-5-7)14-10(19)15-11-16-17-12(20)21-11/h1-5,8H,6H2,(H2,13,18)(H,17,20)(H2,14,15,16,19)/t8-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacia and Upjohn Curated by ChEMBL					Assay Description Binding affinity for matrix metalloproteinase-1				J Med Chem 42: 1525-36 (1999) Article DOI: 10.1021/jm9803222 BindingDB Entry DOI: 10.7270/Q2C828G4
					More data for this Ligand-Target Pair