BDBM50074916 [(R)-2,2-Dimethyl-1-({(S)-naphthalen-2-yl-[3,3,3-trifluoro-1-(4-guanidino-benzyl)-2-oxo-propylcarbamoyl]-methyl}-carbamoyl)-propyl]-carbamic acid adamantan-1-yl ester

SMILES: CC(C)(C)[C@@H](NC(=O)OC12CC3CC(CC(C3)C1)C2)C(=O)N[C@H](C(=O)NC(Cc1ccc(NC(N)=[NH2+])cc1)C(=O)C(F)(F)F)c1ccc2ccccc2c1

InChI Key: InChIKey=FSQMPBMPAVBLCK-RQEWZCSHSA-O

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 = 50074916   

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
Plasminogen (Rattus norvegicus)	BDBM50074916 ([(R)-2,2-Dimethyl-1-({(S)-naphthalen-2-yl-[3,3,3-t...) Show SMILES CC(C)(C)[C@@H](NC(=O)OC12CC3CC(CC(C3)C1)C2)C(=O)N[C@H](C(=O)NC(Cc1ccc(NC(N)=[NH2+])cc1)C(=O)C(F)(F)F)c1ccc2ccccc2c1 |TLB:12:13:17:11.10.16,16:11:18:15.17.14,16:15:18:11.10.12,THB:12:11:17:13.18.14| Show InChI InChI=1S/C40H47F3N6O5/c1-38(2,3)32(49-37(53)54-39-19-23-14-24(20-39)16-25(15-23)21-39)35(52)48-31(28-11-10-26-6-4-5-7-27(26)18-28)34(51)47-30(33(50)40(41,42)43)17-22-8-12-29(13-9-22)46-36(44)45/h4-13,18,23-25,30-32H,14-17,19-21H2,1-3H3,(H,47,51)(H,48,52)(H,49,53)(H4,44,45,46)/p+1/t23?,24?,25?,30?,31-,32-,39?/m0/s1	MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Procter& Gamble Company Curated by ChEMBL					Assay Description Inhibitory activity of compound against Plasmin (HP)				Bioorg Med Chem Lett 9: 301-6 (1999) BindingDB Entry DOI: 10.7270/Q2C24WX3
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM50074916 ([(R)-2,2-Dimethyl-1-({(S)-naphthalen-2-yl-[3,3,3-t...) Show SMILES CC(C)(C)[C@@H](NC(=O)OC12CC3CC(CC(C3)C1)C2)C(=O)N[C@H](C(=O)NC(Cc1ccc(NC(N)=[NH2+])cc1)C(=O)C(F)(F)F)c1ccc2ccccc2c1 |TLB:12:13:17:11.10.16,16:11:18:15.17.14,16:15:18:11.10.12,THB:12:11:17:13.18.14| Show InChI InChI=1S/C40H47F3N6O5/c1-38(2,3)32(49-37(53)54-39-19-23-14-24(20-39)16-25(15-23)21-39)35(52)48-31(28-11-10-26-6-4-5-7-27(26)18-28)34(51)47-30(33(50)40(41,42)43)17-22-8-12-29(13-9-22)46-36(44)45/h4-13,18,23-25,30-32H,14-17,19-21H2,1-3H3,(H,47,51)(H,48,52)(H,49,53)(H4,44,45,46)/p+1/t23?,24?,25?,30?,31-,32-,39?/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Procter& Gamble Company Curated by ChEMBL					Assay Description Inhibitory activity of compound against human plasma Kallikrein (PK)				Bioorg Med Chem Lett 9: 301-6 (1999) BindingDB Entry DOI: 10.7270/Q2C24WX3
					More data for this Ligand-Target Pair
Kallikrein-1 (Homo sapiens (Human))	BDBM50074916 ([(R)-2,2-Dimethyl-1-({(S)-naphthalen-2-yl-[3,3,3-t...) Show SMILES CC(C)(C)[C@@H](NC(=O)OC12CC3CC(CC(C3)C1)C2)C(=O)N[C@H](C(=O)NC(Cc1ccc(NC(N)=[NH2+])cc1)C(=O)C(F)(F)F)c1ccc2ccccc2c1 |TLB:12:13:17:11.10.16,16:11:18:15.17.14,16:15:18:11.10.12,THB:12:11:17:13.18.14| Show InChI InChI=1S/C40H47F3N6O5/c1-38(2,3)32(49-37(53)54-39-19-23-14-24(20-39)16-25(15-23)21-39)35(52)48-31(28-11-10-26-6-4-5-7-27(26)18-28)34(51)47-30(33(50)40(41,42)43)17-22-8-12-29(13-9-22)46-36(44)45/h4-13,18,23-25,30-32H,14-17,19-21H2,1-3H3,(H,47,51)(H,48,52)(H,49,53)(H4,44,45,46)/p+1/t23?,24?,25?,30?,31-,32-,39?/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Procter& Gamble Company Curated by ChEMBL					Assay Description Inhibitory activity of compound against Tissue Kallikrein (TK)				Bioorg Med Chem Lett 9: 301-6 (1999) BindingDB Entry DOI: 10.7270/Q2C24WX3
					More data for this Ligand-Target Pair