BDBM50463238 CHEMBL4238973

SMILES: CSCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)CNC(C)=O)C(=O)NNC(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@H](C)C(=O)N[C@H](CCCNC(N)=N)C(N)=O

InChI Key: InChIKey=QGHJVLUJBRKREM-UQDSMDDKSA-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 = 50463238   

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
Cathepsin K (Homo sapiens (Human))	BDBM50463238 (CHEMBL4238973) Show SMILES CSCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)CNC(C)=O)C(=O)NNC(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@H](C)C(=O)N[C@H](CCCNC(N)=N)C(N)=O |r| Show InChI InChI=1S/C67H92N22O16S/c1-35(57(96)81-45(56(68)95)16-9-22-72-66(69)70)78-58(97)46(19-20-55(93)94)82-60(99)49(27-39-30-75-44-15-8-6-13-42(39)44)84-63(102)51-17-10-23-88(51)64(103)36(2)79-67(105)87-86-61(100)47(21-25-106-4)83-62(101)52-18-11-24-89(52)65(104)50(28-40-31-71-34-77-40)85-59(98)48(26-38-29-74-43-14-7-5-12-41(38)43)80-54(92)33-76-53(91)32-73-37(3)90/h5-8,12-15,29-31,34-36,45-52,74-75H,9-11,16-28,32-33H2,1-4H3,(H2,68,95)(H,71,77)(H,73,90)(H,76,91)(H,78,97)(H,80,92)(H,81,96)(H,82,99)(H,83,101)(H,84,102)(H,85,98)(H,86,100)(H,93,94)(H4,69,70,72)(H2,79,87,105)/t35-,36+,45-,46+,47+,48+,49+,50+,51+,52+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ d'Orl£ans Curated by ChEMBL					Assay Description Inhibition of human cathepsin K using Z-Phe-Arg-AMC as substrate after 30 mins by Cheng-Prusoff equation analysis				Bioorg Med Chem 26: 4310-4319 (2018) Article DOI: 10.1016/j.bmc.2018.07.032 BindingDB Entry DOI: 10.7270/Q2P271RF
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM50463238 (CHEMBL4238973) Show SMILES CSCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)CNC(C)=O)C(=O)NNC(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@H](C)C(=O)N[C@H](CCCNC(N)=N)C(N)=O |r| Show InChI InChI=1S/C67H92N22O16S/c1-35(57(96)81-45(56(68)95)16-9-22-72-66(69)70)78-58(97)46(19-20-55(93)94)82-60(99)49(27-39-30-75-44-15-8-6-13-42(39)44)84-63(102)51-17-10-23-88(51)64(103)36(2)79-67(105)87-86-61(100)47(21-25-106-4)83-62(101)52-18-11-24-89(52)65(104)50(28-40-31-71-34-77-40)85-59(98)48(26-38-29-74-43-14-7-5-12-41(38)43)80-54(92)33-76-53(91)32-73-37(3)90/h5-8,12-15,29-31,34-36,45-52,74-75H,9-11,16-28,32-33H2,1-4H3,(H2,68,95)(H,71,77)(H,73,90)(H,76,91)(H,78,97)(H,80,92)(H,81,96)(H,82,99)(H,83,101)(H,84,102)(H,85,98)(H,86,100)(H,93,94)(H4,69,70,72)(H2,79,87,105)/t35-,36+,45-,46+,47+,48+,49+,50+,51+,52+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ d'Orl£ans Curated by ChEMBL					Assay Description Inhibition of human cathepsin L using Z-Phe-Arg-AMC as substrate after 30 mins by Cheng-Prusoff equation analysis				Bioorg Med Chem 26: 4310-4319 (2018) Article DOI: 10.1016/j.bmc.2018.07.032 BindingDB Entry DOI: 10.7270/Q2P271RF
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM50463238 (CHEMBL4238973) Show SMILES CSCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)CNC(C)=O)C(=O)NNC(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@H](C)C(=O)N[C@H](CCCNC(N)=N)C(N)=O |r| Show InChI InChI=1S/C67H92N22O16S/c1-35(57(96)81-45(56(68)95)16-9-22-72-66(69)70)78-58(97)46(19-20-55(93)94)82-60(99)49(27-39-30-75-44-15-8-6-13-42(39)44)84-63(102)51-17-10-23-88(51)64(103)36(2)79-67(105)87-86-61(100)47(21-25-106-4)83-62(101)52-18-11-24-89(52)65(104)50(28-40-31-71-34-77-40)85-59(98)48(26-38-29-74-43-14-7-5-12-41(38)43)80-54(92)33-76-53(91)32-73-37(3)90/h5-8,12-15,29-31,34-36,45-52,74-75H,9-11,16-28,32-33H2,1-4H3,(H2,68,95)(H,71,77)(H,73,90)(H,76,91)(H,78,97)(H,80,92)(H,81,96)(H,82,99)(H,83,101)(H,84,102)(H,85,98)(H,86,100)(H,93,94)(H4,69,70,72)(H2,79,87,105)/t35-,36+,45-,46+,47+,48+,49+,50+,51+,52+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ d'Orl£ans Curated by ChEMBL					Assay Description Inhibition of human cathepsin S using Z-LR-AMC as substrate after 30 mins by Cheng-Prusoff equation analysis				Bioorg Med Chem 26: 4310-4319 (2018) Article DOI: 10.1016/j.bmc.2018.07.032 BindingDB Entry DOI: 10.7270/Q2P271RF
					More data for this Ligand-Target Pair