BDBM19066 (2S)-3-[(benzylcarbamoyl)amino]-2-{[(2S)-1-[(3,5-dichlorobenzene)sulfonyl]pyrrolidin-2-yl]formamido}propanoic acid::prolyl-2,3-diaminopropionic acid (DAP) scaffold, 22

SMILES: OC(=O)[C@H](CNC(=O)NCc1ccccc1)NC(=O)[C@@H]1CCCN1S(=O)(=O)c1cc(Cl)cc(Cl)c1

InChI Key: InChIKey=NYGQATJDYMZDLT-OALUTQOASA-N

Data: 4 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 5 hits for monomerid = 19066   

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
Integrin alpha2beta1 (Homo sapiens (Human))	BDBM19066 ((2S)-3-[(benzylcarbamoyl)amino]-2-{[(2S)-1-[(3,5-d...) Show SMILES OC(=O)[C@H](CNC(=O)NCc1ccccc1)NC(=O)[C@@H]1CCCN1S(=O)(=O)c1cc(Cl)cc(Cl)c1 |r| Show InChI InChI=1S/C22H24Cl2N4O6S/c23-15-9-16(24)11-17(10-15)35(33,34)28-8-4-7-19(28)20(29)27-18(21(30)31)13-26-22(32)25-12-14-5-2-1-3-6-14/h1-3,5-6,9-11,18-19H,4,7-8,12-13H2,(H,27,29)(H,30,31)(H2,25,26,32)/t18-,19-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	7.4	37
University of Pennsylvania					Assay Description Flat bottom microtiter plates (96-well) were coated with soluble type I collagen. Unoccupied protein binding sites on the wells were blocked with bov...				J Med Chem 50: 5457-62 (2007) Article DOI: 10.1021/jm070252b BindingDB Entry DOI: 10.7270/Q2FN14GH
					More data for this Ligand-Target Pair
Integrin alpha1beta1 (Homo sapiens (Human))	BDBM19066 ((2S)-3-[(benzylcarbamoyl)amino]-2-{[(2S)-1-[(3,5-d...) Show SMILES OC(=O)[C@H](CNC(=O)NCc1ccccc1)NC(=O)[C@@H]1CCCN1S(=O)(=O)c1cc(Cl)cc(Cl)c1 |r| Show InChI InChI=1S/C22H24Cl2N4O6S/c23-15-9-16(24)11-17(10-15)35(33,34)28-8-4-7-19(28)20(29)27-18(21(30)31)13-26-22(32)25-12-14-5-2-1-3-6-14/h1-3,5-6,9-11,18-19H,4,7-8,12-13H2,(H,27,29)(H,30,31)(H2,25,26,32)/t18-,19-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Pennsylvania					Assay Description The ligand was immobilized on 96-well flat microtiter in PBS buffer solution overnight, and the wells were blocked with 1% BSA in HBSS buffer solutio...				J Med Chem 50: 5457-62 (2007) Article DOI: 10.1021/jm070252b BindingDB Entry DOI: 10.7270/Q2FN14GH
					More data for this Ligand-Target Pair
Integrin alpha5beta1 (Homo sapiens (Human))	BDBM19066 ((2S)-3-[(benzylcarbamoyl)amino]-2-{[(2S)-1-[(3,5-d...) Show SMILES OC(=O)[C@H](CNC(=O)NCc1ccccc1)NC(=O)[C@@H]1CCCN1S(=O)(=O)c1cc(Cl)cc(Cl)c1 |r| Show InChI InChI=1S/C22H24Cl2N4O6S/c23-15-9-16(24)11-17(10-15)35(33,34)28-8-4-7-19(28)20(29)27-18(21(30)31)13-26-22(32)25-12-14-5-2-1-3-6-14/h1-3,5-6,9-11,18-19H,4,7-8,12-13H2,(H,27,29)(H,30,31)(H2,25,26,32)/t18-,19-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Pennsylvania					Assay Description The ligand was immobilized on 96-well flat microtiter in acetic acid solution overnight, and the wells were blocked with 1% BSA in HyQ HBSS buffer co...				J Med Chem 50: 5457-62 (2007) Article DOI: 10.1021/jm070252b BindingDB Entry DOI: 10.7270/Q2FN14GH
					More data for this Ligand-Target Pair
Integrin alpha4beta1 (VLA-4) (Homo sapiens (Human))	BDBM19066 ((2S)-3-[(benzylcarbamoyl)amino]-2-{[(2S)-1-[(3,5-d...) Show SMILES OC(=O)[C@H](CNC(=O)NCc1ccccc1)NC(=O)[C@@H]1CCCN1S(=O)(=O)c1cc(Cl)cc(Cl)c1 |r| Show InChI InChI=1S/C22H24Cl2N4O6S/c23-15-9-16(24)11-17(10-15)35(33,34)28-8-4-7-19(28)20(29)27-18(21(30)31)13-26-22(32)25-12-14-5-2-1-3-6-14/h1-3,5-6,9-11,18-19H,4,7-8,12-13H2,(H,27,29)(H,30,31)(H2,25,26,32)/t18-,19-/m0/s1	PDB B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	637	n/a	n/a	n/a	n/a	n/a	n/a
University of Pennsylvania					Assay Description The ligand was immobilized on 96-well flat microtiter in acetic acid solution overnight, and the wells were blocked with 1% BSA in HyQ HBSS buffer co...				J Med Chem 50: 5457-62 (2007) Article DOI: 10.1021/jm070252b BindingDB Entry DOI: 10.7270/Q2FN14GH
					More data for this Ligand-Target Pair
Integrin alpha2beta1 (Homo sapiens (Human))	BDBM19066 ((2S)-3-[(benzylcarbamoyl)amino]-2-{[(2S)-1-[(3,5-d...) Show SMILES OC(=O)[C@H](CNC(=O)NCc1ccccc1)NC(=O)[C@@H]1CCCN1S(=O)(=O)c1cc(Cl)cc(Cl)c1 |r| Show InChI InChI=1S/C22H24Cl2N4O6S/c23-15-9-16(24)11-17(10-15)35(33,34)28-8-4-7-19(28)20(29)27-18(21(30)31)13-26-22(32)25-12-14-5-2-1-3-6-14/h1-3,5-6,9-11,18-19H,4,7-8,12-13H2,(H,27,29)(H,30,31)(H2,25,26,32)/t18-,19-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	83	n/a	n/a	n/a	n/a	n/a	n/a
University of Pennsylvania					Assay Description The ligand was immobilized on 96-well flat microtiter in PBS buffer solution overnight, and the wells were blocked with 1% BSA in HBSS buffer solutio...				J Med Chem 50: 5457-62 (2007) Article DOI: 10.1021/jm070252b BindingDB Entry DOI: 10.7270/Q2FN14GH
					More data for this Ligand-Target Pair